USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 842 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+ -157:sc= 0.00196 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 1.12 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 62:sc= 0.75 USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.317) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 160:sc= -0.894 (180deg=-1.94!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc=-1.41e-06 K(o=-1.4e-06,f=-2.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0728 (180deg=-0.547) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.37) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.15 K(o=-1.1,f=-6!) USER MOD Single : A 52 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.7!) USER MOD Single : A 53 HIS : no HD1:sc= 0.0434 K(o=0.043,f=-0.81) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 4:sc= 0.674 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 64 HIS : no HE2:sc= -0.551 X(o=-0.55,f=-0.64) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 67 SER OG : rot 65:sc= -12.4! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -50:sc= 0.281 USER MOD Single : A 86 ASN : amide:sc= -3.26 K(o=-3.3,f=-4.1!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.021 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.091 X(o=-0.091,f=-0.46) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0653 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.954 -25.847 -1.795 1.00 0.00 N ATOM 2 CA GLY A 1 5.791 -24.977 -1.751 1.00 0.00 C ATOM 3 C GLY A 1 4.598 -25.619 -2.463 1.00 0.00 C ATOM 4 O GLY A 1 4.345 -26.812 -2.304 1.00 0.00 O ATOM 0 H1 GLY A 1 7.599 -25.604 -1.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.651 -26.837 -1.698 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.446 -25.723 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.530 -24.766 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.029 -24.022 -2.221 1.00 0.00 H new ATOM 8 N SER A 2 3.898 -24.799 -3.232 1.00 0.00 N ATOM 9 CA SER A 2 2.738 -25.272 -3.969 1.00 0.00 C ATOM 10 C SER A 2 1.719 -25.883 -3.005 1.00 0.00 C ATOM 11 O SER A 2 1.951 -26.957 -2.450 1.00 0.00 O ATOM 12 CB SER A 2 3.141 -26.295 -5.033 1.00 0.00 C ATOM 13 OG SER A 2 3.417 -25.678 -6.288 1.00 0.00 O ATOM 0 H SER A 2 4.111 -23.810 -3.361 1.00 0.00 H new ATOM 0 HA SER A 2 2.284 -24.420 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.022 -26.841 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.341 -27.025 -5.156 1.00 0.00 H new ATOM 0 HG SER A 2 3.672 -26.363 -6.940 1.00 0.00 H new ATOM 19 N SER A 3 0.613 -25.174 -2.835 1.00 0.00 N ATOM 20 CA SER A 3 -0.442 -25.633 -1.948 1.00 0.00 C ATOM 21 C SER A 3 -1.764 -24.956 -2.313 1.00 0.00 C ATOM 22 O SER A 3 -2.734 -25.628 -2.661 1.00 0.00 O ATOM 23 CB SER A 3 -0.090 -25.356 -0.485 1.00 0.00 C ATOM 24 OG SER A 3 -0.454 -26.440 0.366 1.00 0.00 O ATOM 0 H SER A 3 0.425 -24.284 -3.297 1.00 0.00 H new ATOM 0 HA SER A 3 -0.547 -26.711 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.981 -25.171 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.598 -24.450 -0.155 1.00 0.00 H new ATOM 0 HG SER A 3 -0.211 -26.225 1.291 1.00 0.00 H new ATOM 30 N GLY A 4 -1.761 -23.634 -2.221 1.00 0.00 N ATOM 31 CA GLY A 4 -2.948 -22.859 -2.538 1.00 0.00 C ATOM 32 C GLY A 4 -2.593 -21.630 -3.378 1.00 0.00 C ATOM 33 O GLY A 4 -1.436 -21.443 -3.752 1.00 0.00 O ATOM 0 H GLY A 4 -0.955 -23.080 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.659 -23.482 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.438 -22.545 -1.617 1.00 0.00 H new ATOM 37 N SER A 5 -3.610 -20.825 -3.650 1.00 0.00 N ATOM 38 CA SER A 5 -3.419 -19.620 -4.439 1.00 0.00 C ATOM 39 C SER A 5 -4.745 -18.867 -4.572 1.00 0.00 C ATOM 40 O SER A 5 -5.452 -19.021 -5.566 1.00 0.00 O ATOM 41 CB SER A 5 -2.855 -19.950 -5.822 1.00 0.00 C ATOM 42 OG SER A 5 -2.714 -18.787 -6.633 1.00 0.00 O ATOM 0 H SER A 5 -4.568 -20.984 -3.338 1.00 0.00 H new ATOM 0 HA SER A 5 -2.697 -18.985 -3.925 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.885 -20.435 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.512 -20.662 -6.321 1.00 0.00 H new ATOM 0 HG SER A 5 -2.350 -19.040 -7.507 1.00 0.00 H new ATOM 48 N SER A 6 -5.040 -18.070 -3.556 1.00 0.00 N ATOM 49 CA SER A 6 -6.268 -17.293 -3.547 1.00 0.00 C ATOM 50 C SER A 6 -5.989 -15.878 -3.036 1.00 0.00 C ATOM 51 O SER A 6 -5.734 -15.683 -1.848 1.00 0.00 O ATOM 52 CB SER A 6 -7.340 -17.966 -2.688 1.00 0.00 C ATOM 53 OG SER A 6 -7.049 -17.867 -1.297 1.00 0.00 O ATOM 0 H SER A 6 -4.450 -17.945 -2.733 1.00 0.00 H new ATOM 0 HA SER A 6 -6.643 -17.236 -4.569 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.308 -17.506 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.422 -19.016 -2.967 1.00 0.00 H new ATOM 0 HG SER A 6 -6.313 -17.235 -1.161 1.00 0.00 H new ATOM 59 N GLY A 7 -6.046 -14.928 -3.957 1.00 0.00 N ATOM 60 CA GLY A 7 -5.802 -13.537 -3.614 1.00 0.00 C ATOM 61 C GLY A 7 -5.780 -12.659 -4.867 1.00 0.00 C ATOM 62 O GLY A 7 -6.293 -13.052 -5.913 1.00 0.00 O ATOM 0 H GLY A 7 -6.258 -15.094 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.577 -13.185 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.851 -13.450 -3.088 1.00 0.00 H new ATOM 66 N MET A 8 -5.181 -11.487 -4.718 1.00 0.00 N ATOM 67 CA MET A 8 -5.085 -10.550 -5.825 1.00 0.00 C ATOM 68 C MET A 8 -3.803 -9.721 -5.732 1.00 0.00 C ATOM 69 O MET A 8 -3.137 -9.715 -4.698 1.00 0.00 O ATOM 70 CB MET A 8 -6.299 -9.618 -5.810 1.00 0.00 C ATOM 71 CG MET A 8 -6.579 -9.104 -4.397 1.00 0.00 C ATOM 72 SD MET A 8 -8.318 -9.260 -4.024 1.00 0.00 S ATOM 73 CE MET A 8 -8.873 -7.615 -4.440 1.00 0.00 C ATOM 0 H MET A 8 -4.757 -11.165 -3.848 1.00 0.00 H new ATOM 0 HA MET A 8 -5.061 -11.116 -6.756 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.123 -8.776 -6.479 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.173 -10.148 -6.188 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.991 -9.668 -3.673 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.273 -8.061 -4.313 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.946 -7.538 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.351 -6.887 -3.819 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.662 -7.414 -5.490 1.00 0.00 H new ATOM 83 N THR A 9 -3.496 -9.040 -6.826 1.00 0.00 N ATOM 84 CA THR A 9 -2.305 -8.209 -6.881 1.00 0.00 C ATOM 85 C THR A 9 -2.686 -6.748 -7.131 1.00 0.00 C ATOM 86 O THR A 9 -2.910 -6.348 -8.272 1.00 0.00 O ATOM 87 CB THR A 9 -1.375 -8.786 -7.950 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.562 -9.715 -7.237 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.380 -7.751 -8.480 1.00 0.00 C ATOM 0 H THR A 9 -4.051 -9.047 -7.682 1.00 0.00 H new ATOM 0 HA THR A 9 -1.773 -8.216 -5.929 1.00 0.00 H new ATOM 0 HB THR A 9 -1.969 -9.176 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.070 -10.138 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.256 -8.212 -9.236 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.924 -6.917 -8.923 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.238 -7.386 -7.659 1.00 0.00 H new ATOM 97 N VAL A 10 -2.747 -5.991 -6.045 1.00 0.00 N ATOM 98 CA VAL A 10 -3.096 -4.584 -6.132 1.00 0.00 C ATOM 99 C VAL A 10 -1.830 -3.764 -6.389 1.00 0.00 C ATOM 100 O VAL A 10 -0.940 -3.706 -5.542 1.00 0.00 O ATOM 101 CB VAL A 10 -3.842 -4.151 -4.868 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.187 -2.661 -4.919 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.098 -4.998 -4.656 1.00 0.00 C ATOM 0 H VAL A 10 -2.560 -6.326 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.772 -4.409 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.181 -4.313 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.717 -2.379 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.270 -2.078 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.821 -2.464 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.610 -4.670 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.764 -4.882 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.817 -6.046 -4.554 1.00 0.00 H new ATOM 113 N ARG A 11 -1.790 -3.150 -7.563 1.00 0.00 N ATOM 114 CA ARG A 11 -0.648 -2.336 -7.942 1.00 0.00 C ATOM 115 C ARG A 11 -0.778 -0.930 -7.352 1.00 0.00 C ATOM 116 O ARG A 11 -1.713 -0.200 -7.678 1.00 0.00 O ATOM 117 CB ARG A 11 -0.526 -2.233 -9.464 1.00 0.00 C ATOM 118 CG ARG A 11 0.609 -3.117 -9.984 1.00 0.00 C ATOM 119 CD ARG A 11 0.794 -2.940 -11.493 1.00 0.00 C ATOM 120 NE ARG A 11 1.883 -3.819 -11.975 1.00 0.00 N ATOM 121 CZ ARG A 11 1.745 -5.133 -12.198 1.00 0.00 C ATOM 122 NH1 ARG A 11 0.565 -5.729 -11.983 1.00 0.00 N ATOM 123 NH2 ARG A 11 2.789 -5.851 -12.635 1.00 0.00 N ATOM 0 H ARG A 11 -2.530 -3.200 -8.263 1.00 0.00 H new ATOM 0 HA ARG A 11 0.247 -2.818 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.466 -2.531 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.344 -1.197 -9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.536 -2.866 -9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.393 -4.162 -9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.134 -3.179 -12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.028 -1.900 -11.720 1.00 0.00 H new ATOM 0 HE ARG A 11 2.796 -3.398 -12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.229 -5.183 -11.649 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.460 -6.729 -12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.688 -5.397 -12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.685 -6.851 -12.805 1.00 0.00 H new ATOM 137 N VAL A 12 0.173 -0.593 -6.493 1.00 0.00 N ATOM 138 CA VAL A 12 0.176 0.712 -5.855 1.00 0.00 C ATOM 139 C VAL A 12 1.103 1.652 -6.628 1.00 0.00 C ATOM 140 O VAL A 12 2.320 1.617 -6.447 1.00 0.00 O ATOM 141 CB VAL A 12 0.561 0.572 -4.380 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.717 1.944 -3.722 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.458 -0.285 -3.627 1.00 0.00 C ATOM 0 H VAL A 12 0.946 -1.201 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.822 1.150 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 12 1.525 0.066 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.991 1.816 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.497 2.507 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.225 2.488 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.161 -0.369 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.442 0.181 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.498 -1.279 -4.073 1.00 0.00 H new ATOM 153 N CYS A 13 0.494 2.469 -7.474 1.00 0.00 N ATOM 154 CA CYS A 13 1.250 3.416 -8.276 1.00 0.00 C ATOM 155 C CYS A 13 1.481 4.676 -7.439 1.00 0.00 C ATOM 156 O CYS A 13 0.656 5.589 -7.444 1.00 0.00 O ATOM 157 CB CYS A 13 0.544 3.729 -9.597 1.00 0.00 C ATOM 158 SG CYS A 13 -0.275 2.225 -10.241 1.00 0.00 S ATOM 0 H CYS A 13 -0.515 2.495 -7.622 1.00 0.00 H new ATOM 0 HA CYS A 13 2.211 2.981 -8.549 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.193 4.518 -9.447 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.265 4.100 -10.325 1.00 0.00 H new ATOM 0 HG CYS A 13 -1.185 1.832 -9.399 1.00 0.00 H new ATOM 164 N LYS A 14 2.607 4.686 -6.741 1.00 0.00 N ATOM 165 CA LYS A 14 2.957 5.819 -5.902 1.00 0.00 C ATOM 166 C LYS A 14 2.536 7.114 -6.599 1.00 0.00 C ATOM 167 O LYS A 14 1.415 7.588 -6.414 1.00 0.00 O ATOM 168 CB LYS A 14 4.441 5.775 -5.533 1.00 0.00 C ATOM 169 CG LYS A 14 4.741 4.591 -4.611 1.00 0.00 C ATOM 170 CD LYS A 14 6.233 4.518 -4.280 1.00 0.00 C ATOM 171 CE LYS A 14 7.052 4.142 -5.516 1.00 0.00 C ATOM 172 NZ LYS A 14 8.498 4.146 -5.201 1.00 0.00 N ATOM 0 H LYS A 14 3.289 3.927 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 14 2.415 5.774 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.043 5.697 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.725 6.705 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.165 4.687 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.425 3.664 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.571 5.480 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.399 3.783 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.754 3.155 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.848 4.846 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.986 3.450 -5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.890 5.093 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.636 3.898 -4.201 1.00 0.00 H new ATOM 186 N MET A 15 3.456 7.651 -7.387 1.00 0.00 N ATOM 187 CA MET A 15 3.194 8.882 -8.113 1.00 0.00 C ATOM 188 C MET A 15 4.392 9.273 -8.981 1.00 0.00 C ATOM 189 O MET A 15 4.235 9.571 -10.164 1.00 0.00 O ATOM 190 CB MET A 15 2.894 10.007 -7.120 1.00 0.00 C ATOM 191 CG MET A 15 4.089 10.257 -6.198 1.00 0.00 C ATOM 192 SD MET A 15 3.577 11.217 -4.783 1.00 0.00 S ATOM 193 CE MET A 15 4.227 10.201 -3.467 1.00 0.00 C ATOM 0 H MET A 15 4.384 7.256 -7.539 1.00 0.00 H new ATOM 0 HA MET A 15 2.335 8.721 -8.764 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.651 10.921 -7.663 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.019 9.748 -6.525 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.511 9.307 -5.870 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.874 10.784 -6.741 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.994 10.658 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.776 9.210 -3.516 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.308 10.114 -3.575 1.00 0.00 H new ATOM 203 N ASP A 16 5.562 9.258 -8.359 1.00 0.00 N ATOM 204 CA ASP A 16 6.786 9.607 -9.059 1.00 0.00 C ATOM 205 C ASP A 16 7.841 8.529 -8.801 1.00 0.00 C ATOM 206 O ASP A 16 9.035 8.823 -8.753 1.00 0.00 O ATOM 207 CB ASP A 16 7.343 10.942 -8.563 1.00 0.00 C ATOM 208 CG ASP A 16 8.234 11.683 -9.562 1.00 0.00 C ATOM 209 OD1 ASP A 16 8.104 11.384 -10.769 1.00 0.00 O ATOM 210 OD2 ASP A 16 9.026 12.531 -9.097 1.00 0.00 O ATOM 0 H ASP A 16 5.688 9.010 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 16 6.556 9.685 -10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.508 11.589 -8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.914 10.764 -7.652 1.00 0.00 H new ATOM 215 N GLY A 17 7.363 7.304 -8.642 1.00 0.00 N ATOM 216 CA GLY A 17 8.250 6.181 -8.390 1.00 0.00 C ATOM 217 C GLY A 17 7.853 4.969 -9.235 1.00 0.00 C ATOM 218 O GLY A 17 7.404 5.119 -10.370 1.00 0.00 O ATOM 0 H GLY A 17 6.372 7.064 -8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.277 6.466 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.218 5.918 -7.333 1.00 0.00 H new ATOM 222 N GLU A 18 8.034 3.794 -8.648 1.00 0.00 N ATOM 223 CA GLU A 18 7.701 2.557 -9.332 1.00 0.00 C ATOM 224 C GLU A 18 6.567 1.835 -8.602 1.00 0.00 C ATOM 225 O GLU A 18 6.726 1.424 -7.453 1.00 0.00 O ATOM 226 CB GLU A 18 8.930 1.655 -9.464 1.00 0.00 C ATOM 227 CG GLU A 18 8.925 0.914 -10.803 1.00 0.00 C ATOM 228 CD GLU A 18 10.301 0.977 -11.469 1.00 0.00 C ATOM 229 OE1 GLU A 18 11.171 0.184 -11.050 1.00 0.00 O ATOM 230 OE2 GLU A 18 10.451 1.817 -12.383 1.00 0.00 O ATOM 0 H GLU A 18 8.407 3.674 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 18 7.361 2.802 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.836 2.255 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.947 0.935 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.640 -0.126 -10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.177 1.353 -11.463 1.00 0.00 H new ATOM 237 N VAL A 19 5.447 1.702 -9.298 1.00 0.00 N ATOM 238 CA VAL A 19 4.287 1.037 -8.729 1.00 0.00 C ATOM 239 C VAL A 19 4.741 -0.215 -7.976 1.00 0.00 C ATOM 240 O VAL A 19 5.664 -0.903 -8.407 1.00 0.00 O ATOM 241 CB VAL A 19 3.266 0.736 -9.828 1.00 0.00 C ATOM 242 CG1 VAL A 19 3.964 0.385 -11.144 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.312 -0.381 -9.399 1.00 0.00 C ATOM 0 H VAL A 19 5.318 2.043 -10.251 1.00 0.00 H new ATOM 0 HA VAL A 19 3.789 1.686 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 19 2.675 1.637 -9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.216 0.175 -11.908 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.583 1.224 -11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.591 -0.495 -11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.597 -0.575 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.882 -1.287 -9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.777 -0.077 -8.499 1.00 0.00 H new ATOM 253 N MET A 20 4.071 -0.471 -6.862 1.00 0.00 N ATOM 254 CA MET A 20 4.393 -1.628 -6.044 1.00 0.00 C ATOM 255 C MET A 20 3.223 -2.612 -6.000 1.00 0.00 C ATOM 256 O MET A 20 2.118 -2.252 -5.596 1.00 0.00 O ATOM 257 CB MET A 20 4.730 -1.171 -4.623 1.00 0.00 C ATOM 258 CG MET A 20 6.240 -1.005 -4.443 1.00 0.00 C ATOM 259 SD MET A 20 6.577 0.018 -3.020 1.00 0.00 S ATOM 260 CE MET A 20 5.197 -0.432 -1.981 1.00 0.00 C ATOM 0 H MET A 20 3.306 0.103 -6.507 1.00 0.00 H new ATOM 0 HA MET A 20 5.252 -2.134 -6.486 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.229 -0.226 -4.413 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.352 -1.898 -3.904 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.709 -1.981 -4.319 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.674 -0.554 -5.336 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.423 -0.178 -0.945 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.308 0.111 -2.302 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.016 -1.504 -2.060 1.00 0.00 H new ATOM 270 N PRO A 21 3.512 -3.869 -6.432 1.00 0.00 N ATOM 271 CA PRO A 21 2.497 -4.908 -6.446 1.00 0.00 C ATOM 272 C PRO A 21 2.218 -5.421 -5.032 1.00 0.00 C ATOM 273 O PRO A 21 3.053 -6.103 -4.440 1.00 0.00 O ATOM 274 CB PRO A 21 3.046 -5.982 -7.371 1.00 0.00 C ATOM 275 CG PRO A 21 4.540 -5.722 -7.472 1.00 0.00 C ATOM 276 CD PRO A 21 4.809 -4.332 -6.917 1.00 0.00 C ATOM 0 HA PRO A 21 1.532 -4.549 -6.804 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.849 -6.978 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.574 -5.931 -8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.097 -6.472 -6.910 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.870 -5.790 -8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.545 -4.362 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.204 -3.668 -7.686 1.00 0.00 H new ATOM 284 N VAL A 22 1.041 -5.075 -4.533 1.00 0.00 N ATOM 285 CA VAL A 22 0.641 -5.492 -3.199 1.00 0.00 C ATOM 286 C VAL A 22 -0.361 -6.643 -3.308 1.00 0.00 C ATOM 287 O VAL A 22 -1.106 -6.732 -4.283 1.00 0.00 O ATOM 288 CB VAL A 22 0.094 -4.295 -2.418 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.415 -4.726 -1.041 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.149 -3.194 -2.294 1.00 0.00 C ATOM 0 H VAL A 22 0.351 -4.510 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 22 1.501 -5.861 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.750 -3.888 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.798 -3.857 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.213 -5.459 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.403 -5.170 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.735 -2.355 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.022 -3.584 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.443 -2.858 -3.288 1.00 0.00 H new ATOM 300 N VAL A 23 -0.346 -7.496 -2.295 1.00 0.00 N ATOM 301 CA VAL A 23 -1.244 -8.638 -2.265 1.00 0.00 C ATOM 302 C VAL A 23 -2.239 -8.468 -1.114 1.00 0.00 C ATOM 303 O VAL A 23 -1.939 -7.806 -0.122 1.00 0.00 O ATOM 304 CB VAL A 23 -0.438 -9.935 -2.172 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.362 -11.143 -2.001 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.468 -10.106 -3.392 1.00 0.00 C ATOM 0 H VAL A 23 0.274 -7.419 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.821 -8.695 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 23 0.198 -9.872 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.764 -12.052 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.946 -11.028 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.035 -11.210 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.030 -11.036 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.141 -10.137 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.162 -9.267 -3.450 1.00 0.00 H new ATOM 316 N VAL A 24 -3.403 -9.078 -1.286 1.00 0.00 N ATOM 317 CA VAL A 24 -4.443 -9.003 -0.275 1.00 0.00 C ATOM 318 C VAL A 24 -5.438 -10.146 -0.488 1.00 0.00 C ATOM 319 O VAL A 24 -5.346 -10.879 -1.471 1.00 0.00 O ATOM 320 CB VAL A 24 -5.103 -7.623 -0.304 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.190 -6.566 0.321 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.496 -7.233 -1.730 1.00 0.00 C ATOM 0 H VAL A 24 -3.648 -9.626 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.017 -9.124 0.721 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.014 -7.675 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.683 -5.594 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.982 -6.832 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.255 -6.518 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.963 -6.248 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.606 -7.208 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.200 -7.965 -2.127 1.00 0.00 H new ATOM 332 N VAL A 25 -6.368 -10.261 0.450 1.00 0.00 N ATOM 333 CA VAL A 25 -7.379 -11.301 0.377 1.00 0.00 C ATOM 334 C VAL A 25 -8.397 -10.943 -0.707 1.00 0.00 C ATOM 335 O VAL A 25 -8.604 -9.767 -1.005 1.00 0.00 O ATOM 336 CB VAL A 25 -8.018 -11.507 1.752 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.960 -11.851 2.802 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.826 -10.277 2.170 1.00 0.00 C ATOM 0 H VAL A 25 -6.442 -9.651 1.264 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.927 -12.253 0.097 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.705 -12.350 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.441 -11.992 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.447 -12.769 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.238 -11.038 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.270 -10.449 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.169 -9.409 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.616 -10.096 1.441 1.00 0.00 H new ATOM 348 N GLN A 26 -9.006 -11.977 -1.268 1.00 0.00 N ATOM 349 CA GLN A 26 -9.997 -11.786 -2.313 1.00 0.00 C ATOM 350 C GLN A 26 -11.045 -10.764 -1.870 1.00 0.00 C ATOM 351 O GLN A 26 -11.720 -10.160 -2.703 1.00 0.00 O ATOM 352 CB GLN A 26 -10.653 -13.114 -2.696 1.00 0.00 C ATOM 353 CG GLN A 26 -10.696 -13.287 -4.216 1.00 0.00 C ATOM 354 CD GLN A 26 -12.136 -13.445 -4.709 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.705 -12.566 -5.335 1.00 0.00 O ATOM 356 NE2 GLN A 26 -12.690 -14.612 -4.393 1.00 0.00 N ATOM 0 H GLN A 26 -8.832 -12.951 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.493 -11.399 -3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.100 -13.939 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.665 -13.153 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.236 -12.424 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.112 -14.161 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.157 -15.304 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.648 -14.815 -4.677 1.00 0.00 H new ATOM 365 N ASN A 27 -11.149 -10.601 -0.559 1.00 0.00 N ATOM 366 CA ASN A 27 -12.104 -9.662 0.005 1.00 0.00 C ATOM 367 C ASN A 27 -11.398 -8.783 1.040 1.00 0.00 C ATOM 368 O ASN A 27 -11.730 -8.824 2.223 1.00 0.00 O ATOM 369 CB ASN A 27 -13.248 -10.396 0.709 1.00 0.00 C ATOM 370 CG ASN A 27 -14.368 -10.737 -0.276 1.00 0.00 C ATOM 371 OD1 ASN A 27 -14.137 -11.107 -1.415 1.00 0.00 O ATOM 372 ND2 ASN A 27 -15.591 -10.594 0.226 1.00 0.00 N ATOM 0 H ASN A 27 -10.588 -11.103 0.129 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.508 -9.061 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.871 -11.310 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.643 -9.775 1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -16.406 -10.798 -0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.714 -10.280 1.189 1.00 0.00 H new ATOM 379 N ALA A 28 -10.438 -8.010 0.555 1.00 0.00 N ATOM 380 CA ALA A 28 -9.683 -7.122 1.424 1.00 0.00 C ATOM 381 C ALA A 28 -10.369 -5.756 1.471 1.00 0.00 C ATOM 382 O ALA A 28 -11.380 -5.542 0.804 1.00 0.00 O ATOM 383 CB ALA A 28 -8.238 -7.032 0.929 1.00 0.00 C ATOM 0 H ALA A 28 -10.165 -7.980 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.656 -7.512 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.671 -6.366 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.786 -8.024 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.226 -6.641 -0.089 1.00 0.00 H new ATOM 389 N THR A 29 -9.792 -4.867 2.265 1.00 0.00 N ATOM 390 CA THR A 29 -10.336 -3.527 2.408 1.00 0.00 C ATOM 391 C THR A 29 -9.241 -2.481 2.185 1.00 0.00 C ATOM 392 O THR A 29 -8.115 -2.822 1.827 1.00 0.00 O ATOM 393 CB THR A 29 -10.998 -3.429 3.784 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.934 -3.676 4.700 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.983 -4.571 4.042 1.00 0.00 C ATOM 0 H THR A 29 -8.953 -5.048 2.816 1.00 0.00 H new ATOM 0 HA THR A 29 -11.095 -3.325 1.652 1.00 0.00 H new ATOM 0 HB THR A 29 -11.517 -2.475 3.869 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.275 -3.630 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.425 -4.454 5.032 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.770 -4.550 3.288 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.457 -5.524 3.990 1.00 0.00 H new ATOM 403 N VAL A 30 -9.611 -1.228 2.406 1.00 0.00 N ATOM 404 CA VAL A 30 -8.675 -0.130 2.233 1.00 0.00 C ATOM 405 C VAL A 30 -7.539 -0.269 3.248 1.00 0.00 C ATOM 406 O VAL A 30 -6.368 -0.138 2.897 1.00 0.00 O ATOM 407 CB VAL A 30 -9.412 1.207 2.340 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.430 2.380 2.283 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.480 1.333 1.252 1.00 0.00 C ATOM 0 H VAL A 30 -10.546 -0.949 2.703 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.228 -0.162 1.239 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.914 1.237 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.979 3.318 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.723 2.303 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.887 2.355 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.989 2.292 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.009 1.271 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.204 0.525 1.358 1.00 0.00 H new ATOM 419 N LEU A 31 -7.925 -0.534 4.488 1.00 0.00 N ATOM 420 CA LEU A 31 -6.954 -0.693 5.557 1.00 0.00 C ATOM 421 C LEU A 31 -5.905 -1.725 5.137 1.00 0.00 C ATOM 422 O LEU A 31 -4.731 -1.393 4.977 1.00 0.00 O ATOM 423 CB LEU A 31 -7.656 -1.031 6.873 1.00 0.00 C ATOM 424 CG LEU A 31 -7.650 0.069 7.937 1.00 0.00 C ATOM 425 CD1 LEU A 31 -8.726 -0.186 8.995 1.00 0.00 C ATOM 426 CD2 LEU A 31 -6.260 0.223 8.559 1.00 0.00 C ATOM 0 H LEU A 31 -8.897 -0.643 4.776 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.427 0.244 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.691 -1.291 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.187 -1.920 7.295 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.892 1.015 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.700 0.610 9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.706 -0.207 8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.539 -1.143 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.283 1.011 9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.964 -0.716 9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.541 0.484 7.783 1.00 0.00 H new ATOM 438 N ASP A 32 -6.366 -2.956 4.971 1.00 0.00 N ATOM 439 CA ASP A 32 -5.482 -4.039 4.573 1.00 0.00 C ATOM 440 C ASP A 32 -4.499 -3.527 3.519 1.00 0.00 C ATOM 441 O ASP A 32 -3.286 -3.641 3.689 1.00 0.00 O ATOM 442 CB ASP A 32 -6.271 -5.198 3.961 1.00 0.00 C ATOM 443 CG ASP A 32 -6.347 -6.457 4.827 1.00 0.00 C ATOM 444 OD1 ASP A 32 -5.678 -6.461 5.882 1.00 0.00 O ATOM 445 OD2 ASP A 32 -7.073 -7.387 4.413 1.00 0.00 O ATOM 0 H ASP A 32 -7.340 -3.228 5.105 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.958 -4.390 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.285 -4.857 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.819 -5.460 3.004 1.00 0.00 H new ATOM 450 N LEU A 33 -5.058 -2.974 2.453 1.00 0.00 N ATOM 451 CA LEU A 33 -4.246 -2.445 1.371 1.00 0.00 C ATOM 452 C LEU A 33 -3.025 -1.734 1.956 1.00 0.00 C ATOM 453 O LEU A 33 -1.895 -1.990 1.543 1.00 0.00 O ATOM 454 CB LEU A 33 -5.090 -1.561 0.450 1.00 0.00 C ATOM 455 CG LEU A 33 -4.720 -1.592 -1.034 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.497 -0.716 -1.313 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.518 -3.029 -1.519 1.00 0.00 C ATOM 0 H LEU A 33 -6.064 -2.881 2.316 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.873 -3.255 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.134 -1.859 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.017 -0.532 0.801 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.551 -1.174 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.255 -0.756 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.714 0.314 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.649 -1.081 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.256 -3.022 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.715 -3.496 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.439 -3.594 -1.377 1.00 0.00 H new ATOM 469 N LYS A 34 -3.293 -0.854 2.910 1.00 0.00 N ATOM 470 CA LYS A 34 -2.230 -0.104 3.557 1.00 0.00 C ATOM 471 C LYS A 34 -1.362 -1.062 4.377 1.00 0.00 C ATOM 472 O LYS A 34 -0.136 -1.034 4.277 1.00 0.00 O ATOM 473 CB LYS A 34 -2.810 1.052 4.374 1.00 0.00 C ATOM 474 CG LYS A 34 -3.402 2.126 3.460 1.00 0.00 C ATOM 475 CD LYS A 34 -4.929 2.153 3.562 1.00 0.00 C ATOM 476 CE LYS A 34 -5.429 3.550 3.936 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.481 4.419 2.739 1.00 0.00 N ATOM 0 H LYS A 34 -4.231 -0.644 3.250 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.581 0.357 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.581 0.676 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.030 1.489 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.999 3.102 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.106 1.934 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.366 1.849 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.260 1.432 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.420 3.480 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.770 3.990 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.144 5.202 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.534 4.802 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.802 3.864 1.920 1.00 0.00 H new ATOM 491 N LYS A 35 -2.032 -1.885 5.170 1.00 0.00 N ATOM 492 CA LYS A 35 -1.337 -2.849 6.006 1.00 0.00 C ATOM 493 C LYS A 35 -0.350 -3.643 5.149 1.00 0.00 C ATOM 494 O LYS A 35 0.835 -3.720 5.471 1.00 0.00 O ATOM 495 CB LYS A 35 -2.340 -3.725 6.760 1.00 0.00 C ATOM 496 CG LYS A 35 -3.277 -2.872 7.618 1.00 0.00 C ATOM 497 CD LYS A 35 -4.236 -3.751 8.422 1.00 0.00 C ATOM 498 CE LYS A 35 -5.096 -2.906 9.364 1.00 0.00 C ATOM 499 NZ LYS A 35 -4.426 -2.745 10.673 1.00 0.00 N ATOM 0 H LYS A 35 -3.049 -1.904 5.251 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.755 -2.338 6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.924 -4.310 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.806 -4.433 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.691 -2.252 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.846 -2.196 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.878 -4.311 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.668 -4.481 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.279 -1.928 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.068 -3.380 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.023 -2.169 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.274 -3.680 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.509 -2.273 10.538 1.00 0.00 H new ATOM 513 N ALA A 36 -0.874 -4.214 4.074 1.00 0.00 N ATOM 514 CA ALA A 36 -0.053 -4.999 3.169 1.00 0.00 C ATOM 515 C ALA A 36 1.149 -4.164 2.722 1.00 0.00 C ATOM 516 O ALA A 36 2.293 -4.514 3.008 1.00 0.00 O ATOM 517 CB ALA A 36 -0.904 -5.474 1.989 1.00 0.00 C ATOM 0 H ALA A 36 -1.857 -4.148 3.810 1.00 0.00 H new ATOM 0 HA ALA A 36 0.331 -5.886 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.288 -6.063 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.726 -6.087 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.305 -4.610 1.458 1.00 0.00 H new ATOM 523 N ILE A 37 0.847 -3.076 2.028 1.00 0.00 N ATOM 524 CA ILE A 37 1.888 -2.189 1.539 1.00 0.00 C ATOM 525 C ILE A 37 2.981 -2.057 2.601 1.00 0.00 C ATOM 526 O ILE A 37 4.162 -1.954 2.272 1.00 0.00 O ATOM 527 CB ILE A 37 1.290 -0.849 1.103 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.310 -1.038 -0.056 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.389 0.159 0.767 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.666 0.137 -0.146 1.00 0.00 C ATOM 0 H ILE A 37 -0.103 -2.789 1.793 1.00 0.00 H new ATOM 0 HA ILE A 37 2.357 -2.608 0.649 1.00 0.00 H new ATOM 0 HB ILE A 37 0.724 -0.439 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.861 -1.130 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.245 -1.966 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.936 1.102 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.012 0.324 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.003 -0.230 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.352 -0.022 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.233 0.211 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.110 1.061 -0.306 1.00 0.00 H new ATOM 542 N GLN A 38 2.549 -2.066 3.853 1.00 0.00 N ATOM 543 CA GLN A 38 3.476 -1.949 4.966 1.00 0.00 C ATOM 544 C GLN A 38 4.209 -3.273 5.187 1.00 0.00 C ATOM 545 O GLN A 38 5.435 -3.300 5.283 1.00 0.00 O ATOM 546 CB GLN A 38 2.753 -1.504 6.238 1.00 0.00 C ATOM 547 CG GLN A 38 2.997 -0.019 6.517 1.00 0.00 C ATOM 548 CD GLN A 38 2.394 0.393 7.861 1.00 0.00 C ATOM 549 OE1 GLN A 38 3.083 0.808 8.779 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.073 0.256 7.927 1.00 0.00 N ATOM 0 H GLN A 38 1.569 -2.153 4.122 1.00 0.00 H new ATOM 0 HA GLN A 38 4.213 -1.184 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.683 -1.687 6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.099 -2.098 7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.068 0.183 6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.560 0.581 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.556 -0.097 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.577 0.504 8.783 1.00 0.00 H new ATOM 559 N ARG A 39 3.427 -4.340 5.263 1.00 0.00 N ATOM 560 CA ARG A 39 3.987 -5.665 5.471 1.00 0.00 C ATOM 561 C ARG A 39 4.778 -6.107 4.238 1.00 0.00 C ATOM 562 O ARG A 39 5.432 -7.149 4.256 1.00 0.00 O ATOM 563 CB ARG A 39 2.887 -6.689 5.756 1.00 0.00 C ATOM 564 CG ARG A 39 2.830 -7.032 7.246 1.00 0.00 C ATOM 565 CD ARG A 39 1.713 -6.255 7.945 1.00 0.00 C ATOM 566 NE ARG A 39 1.167 -7.052 9.067 1.00 0.00 N ATOM 567 CZ ARG A 39 0.242 -8.011 8.926 1.00 0.00 C ATOM 568 NH1 ARG A 39 -0.247 -8.298 7.712 1.00 0.00 N ATOM 569 NH2 ARG A 39 -0.195 -8.682 10.000 1.00 0.00 N ATOM 0 H ARG A 39 2.410 -4.314 5.184 1.00 0.00 H new ATOM 0 HA ARG A 39 4.651 -5.612 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.924 -6.293 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.069 -7.595 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.666 -8.102 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.787 -6.800 7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.097 -5.305 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.920 -6.022 7.234 1.00 0.00 H new ATOM 0 HE ARG A 39 1.517 -6.859 10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.085 -7.786 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.951 -9.028 7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.176 -8.463 10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.899 -9.412 9.893 1.00 0.00 H new ATOM 583 N TYR A 40 4.693 -5.292 3.197 1.00 0.00 N ATOM 584 CA TYR A 40 5.394 -5.586 1.958 1.00 0.00 C ATOM 585 C TYR A 40 6.829 -5.059 2.001 1.00 0.00 C ATOM 586 O TYR A 40 7.750 -5.713 1.513 1.00 0.00 O ATOM 587 CB TYR A 40 4.626 -4.853 0.856 1.00 0.00 C ATOM 588 CG TYR A 40 5.306 -4.903 -0.514 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.422 -4.129 -0.759 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.802 -5.721 -1.505 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.062 -4.176 -2.049 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.442 -5.768 -2.794 1.00 0.00 C ATOM 593 CZ TYR A 40 6.540 -4.993 -3.002 1.00 0.00 C ATOM 594 OH TYR A 40 7.144 -5.037 -4.220 1.00 0.00 O ATOM 0 H TYR A 40 4.150 -4.429 3.186 1.00 0.00 H new ATOM 0 HA TYR A 40 5.442 -6.662 1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.629 -5.286 0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.497 -3.811 1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.816 -3.488 0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.928 -6.326 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.936 -3.576 -2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.059 -6.404 -3.578 1.00 0.00 H new ATOM 0 HH TYR A 40 6.664 -5.664 -4.801 1.00 0.00 H new ATOM 604 N VAL A 41 6.975 -3.881 2.590 1.00 0.00 N ATOM 605 CA VAL A 41 8.283 -3.258 2.703 1.00 0.00 C ATOM 606 C VAL A 41 8.891 -3.601 4.064 1.00 0.00 C ATOM 607 O VAL A 41 10.078 -3.908 4.159 1.00 0.00 O ATOM 608 CB VAL A 41 8.168 -1.751 2.462 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.536 -1.074 2.564 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.511 -1.460 1.112 1.00 0.00 C ATOM 0 H VAL A 41 6.209 -3.342 2.994 1.00 0.00 H new ATOM 0 HA VAL A 41 8.957 -3.645 1.939 1.00 0.00 H new ATOM 0 HB VAL A 41 7.529 -1.335 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.426 -0.004 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.950 -1.238 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.208 -1.497 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.442 -0.382 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.111 -1.896 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.511 -1.894 1.093 1.00 0.00 H new ATOM 620 N GLN A 42 8.049 -3.538 5.085 1.00 0.00 N ATOM 621 CA GLN A 42 8.488 -3.838 6.437 1.00 0.00 C ATOM 622 C GLN A 42 9.134 -5.225 6.490 1.00 0.00 C ATOM 623 O GLN A 42 10.347 -5.342 6.652 1.00 0.00 O ATOM 624 CB GLN A 42 7.325 -3.737 7.427 1.00 0.00 C ATOM 625 CG GLN A 42 7.827 -3.389 8.829 1.00 0.00 C ATOM 626 CD GLN A 42 6.939 -4.021 9.903 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.743 -3.788 9.972 1.00 0.00 O ATOM 628 NE2 GLN A 42 7.588 -4.832 10.733 1.00 0.00 N ATOM 0 H GLN A 42 7.065 -3.283 5.003 1.00 0.00 H new ATOM 0 HA GLN A 42 9.235 -3.099 6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.621 -2.976 7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.784 -4.683 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.853 -3.738 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.842 -2.306 8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.590 -4.983 10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.084 -5.303 11.484 1.00 0.00 H new ATOM 637 N LEU A 43 8.293 -6.239 6.350 1.00 0.00 N ATOM 638 CA LEU A 43 8.767 -7.613 6.380 1.00 0.00 C ATOM 639 C LEU A 43 9.921 -7.771 5.387 1.00 0.00 C ATOM 640 O LEU A 43 10.990 -8.262 5.746 1.00 0.00 O ATOM 641 CB LEU A 43 7.610 -8.584 6.138 1.00 0.00 C ATOM 642 CG LEU A 43 7.124 -9.366 7.360 1.00 0.00 C ATOM 643 CD1 LEU A 43 5.935 -10.259 7.002 1.00 0.00 C ATOM 644 CD2 LEU A 43 8.268 -10.160 7.994 1.00 0.00 C ATOM 0 H LEU A 43 7.287 -6.137 6.216 1.00 0.00 H new ATOM 0 HA LEU A 43 9.159 -7.860 7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.769 -8.022 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.915 -9.298 5.372 1.00 0.00 H new ATOM 0 HG LEU A 43 6.776 -8.652 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.609 -10.804 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.115 -9.643 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.232 -10.968 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.895 -10.706 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.669 -10.865 7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.056 -9.475 8.308 1.00 0.00 H new ATOM 656 N LYS A 44 9.664 -7.347 4.159 1.00 0.00 N ATOM 657 CA LYS A 44 10.668 -7.436 3.112 1.00 0.00 C ATOM 658 C LYS A 44 12.008 -6.932 3.652 1.00 0.00 C ATOM 659 O LYS A 44 12.993 -7.668 3.662 1.00 0.00 O ATOM 660 CB LYS A 44 10.197 -6.702 1.854 1.00 0.00 C ATOM 661 CG LYS A 44 11.320 -6.612 0.819 1.00 0.00 C ATOM 662 CD LYS A 44 10.792 -6.086 -0.517 1.00 0.00 C ATOM 663 CE LYS A 44 11.944 -5.735 -1.461 1.00 0.00 C ATOM 664 NZ LYS A 44 11.780 -6.427 -2.759 1.00 0.00 N ATOM 0 H LYS A 44 8.776 -6.941 3.865 1.00 0.00 H new ATOM 0 HA LYS A 44 10.814 -8.474 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.342 -7.223 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.860 -5.700 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.107 -5.954 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.767 -7.596 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.153 -6.837 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.175 -5.204 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.977 -4.657 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.893 -6.020 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.570 -6.178 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.771 -7.456 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.883 -6.135 -3.197 1.00 0.00 H new ATOM 678 N GLN A 45 12.002 -5.681 4.088 1.00 0.00 N ATOM 679 CA GLN A 45 13.204 -5.071 4.628 1.00 0.00 C ATOM 680 C GLN A 45 13.759 -5.916 5.776 1.00 0.00 C ATOM 681 O GLN A 45 14.928 -6.297 5.763 1.00 0.00 O ATOM 682 CB GLN A 45 12.933 -3.636 5.085 1.00 0.00 C ATOM 683 CG GLN A 45 12.813 -2.692 3.886 1.00 0.00 C ATOM 684 CD GLN A 45 12.407 -1.287 4.334 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.974 -1.064 5.453 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.569 -0.354 3.400 1.00 0.00 N ATOM 0 H GLN A 45 11.183 -5.073 4.078 1.00 0.00 H new ATOM 0 HA GLN A 45 13.953 -5.030 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.014 -3.604 5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.739 -3.300 5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.765 -2.648 3.356 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.075 -3.081 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.937 -0.609 2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.326 0.616 3.601 1.00 0.00 H new ATOM 695 N GLU A 46 12.893 -6.185 6.743 1.00 0.00 N ATOM 696 CA GLU A 46 13.282 -6.978 7.896 1.00 0.00 C ATOM 697 C GLU A 46 14.143 -8.164 7.459 1.00 0.00 C ATOM 698 O GLU A 46 15.207 -8.406 8.027 1.00 0.00 O ATOM 699 CB GLU A 46 12.053 -7.450 8.676 1.00 0.00 C ATOM 700 CG GLU A 46 12.126 -7.003 10.137 1.00 0.00 C ATOM 701 CD GLU A 46 12.547 -8.161 11.045 1.00 0.00 C ATOM 702 OE1 GLU A 46 13.682 -8.649 10.852 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.726 -8.533 11.910 1.00 0.00 O ATOM 0 H GLU A 46 11.924 -5.868 6.751 1.00 0.00 H new ATOM 0 HA GLU A 46 13.875 -6.350 8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.150 -7.051 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.982 -8.537 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.837 -6.183 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.155 -6.623 10.454 1.00 0.00 H new ATOM 710 N ARG A 47 13.651 -8.873 6.453 1.00 0.00 N ATOM 711 CA ARG A 47 14.363 -10.028 5.933 1.00 0.00 C ATOM 712 C ARG A 47 15.729 -9.608 5.387 1.00 0.00 C ATOM 713 O ARG A 47 16.731 -10.280 5.628 1.00 0.00 O ATOM 714 CB ARG A 47 13.565 -10.711 4.821 1.00 0.00 C ATOM 715 CG ARG A 47 12.233 -11.247 5.351 1.00 0.00 C ATOM 716 CD ARG A 47 12.299 -12.760 5.569 1.00 0.00 C ATOM 717 NE ARG A 47 11.893 -13.468 4.334 1.00 0.00 N ATOM 718 CZ ARG A 47 11.565 -14.766 4.286 1.00 0.00 C ATOM 719 NH1 ARG A 47 11.594 -15.507 5.403 1.00 0.00 N ATOM 720 NH2 ARG A 47 11.208 -15.324 3.121 1.00 0.00 N ATOM 0 H ARG A 47 12.768 -8.670 5.984 1.00 0.00 H new ATOM 0 HA ARG A 47 14.497 -10.732 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.380 -10.003 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.149 -11.530 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.985 -10.751 6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.436 -11.012 4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.311 -13.051 5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.646 -13.046 6.393 1.00 0.00 H new ATOM 0 HE ARG A 47 11.861 -12.934 3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.866 -15.082 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.344 -16.495 5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.186 -14.760 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.958 -16.312 3.084 1.00 0.00 H new ATOM 734 N GLU A 48 15.726 -8.499 4.663 1.00 0.00 N ATOM 735 CA GLU A 48 16.953 -7.982 4.081 1.00 0.00 C ATOM 736 C GLU A 48 17.819 -7.330 5.161 1.00 0.00 C ATOM 737 O GLU A 48 18.943 -6.911 4.891 1.00 0.00 O ATOM 738 CB GLU A 48 16.651 -6.996 2.951 1.00 0.00 C ATOM 739 CG GLU A 48 16.564 -7.715 1.604 1.00 0.00 C ATOM 740 CD GLU A 48 16.408 -6.714 0.457 1.00 0.00 C ATOM 741 OE1 GLU A 48 17.459 -6.277 -0.061 1.00 0.00 O ATOM 742 OE2 GLU A 48 15.243 -6.410 0.123 1.00 0.00 O ATOM 0 H GLU A 48 14.893 -7.944 4.466 1.00 0.00 H new ATOM 0 HA GLU A 48 17.508 -8.816 3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.712 -6.482 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.429 -6.234 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.461 -8.314 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.718 -8.403 1.609 1.00 0.00 H new ATOM 749 N GLY A 49 17.262 -7.265 6.361 1.00 0.00 N ATOM 750 CA GLY A 49 17.970 -6.672 7.483 1.00 0.00 C ATOM 751 C GLY A 49 16.989 -6.131 8.526 1.00 0.00 C ATOM 752 O GLY A 49 16.641 -6.830 9.477 1.00 0.00 O ATOM 0 H GLY A 49 16.329 -7.613 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.620 -7.417 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.611 -5.865 7.128 1.00 0.00 H new ATOM 756 N GLY A 50 16.571 -4.892 8.312 1.00 0.00 N ATOM 757 CA GLY A 50 15.637 -4.250 9.222 1.00 0.00 C ATOM 758 C GLY A 50 16.144 -2.870 9.644 1.00 0.00 C ATOM 759 O GLY A 50 17.351 -2.640 9.703 1.00 0.00 O ATOM 0 H GLY A 50 16.862 -4.316 7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.664 -4.152 8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.495 -4.875 10.104 1.00 0.00 H new ATOM 763 N VAL A 51 15.197 -1.988 9.927 1.00 0.00 N ATOM 764 CA VAL A 51 15.533 -0.637 10.342 1.00 0.00 C ATOM 765 C VAL A 51 14.266 0.075 10.822 1.00 0.00 C ATOM 766 O VAL A 51 13.176 -0.494 10.777 1.00 0.00 O ATOM 767 CB VAL A 51 16.238 0.101 9.202 1.00 0.00 C ATOM 768 CG1 VAL A 51 15.260 1.001 8.444 1.00 0.00 C ATOM 769 CG2 VAL A 51 17.431 0.905 9.724 1.00 0.00 C ATOM 0 H VAL A 51 14.197 -2.183 9.877 1.00 0.00 H new ATOM 0 HA VAL A 51 16.231 -0.657 11.179 1.00 0.00 H new ATOM 0 HB VAL A 51 16.617 -0.645 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.787 1.514 7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.458 0.394 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 51 14.838 1.737 9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.914 1.420 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.085 1.638 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.145 0.231 10.198 1.00 0.00 H new ATOM 779 N GLN A 52 14.451 1.308 11.269 1.00 0.00 N ATOM 780 CA GLN A 52 13.337 2.103 11.756 1.00 0.00 C ATOM 781 C GLN A 52 12.285 2.271 10.657 1.00 0.00 C ATOM 782 O GLN A 52 12.611 2.247 9.472 1.00 0.00 O ATOM 783 CB GLN A 52 13.815 3.462 12.269 1.00 0.00 C ATOM 784 CG GLN A 52 14.763 3.297 13.459 1.00 0.00 C ATOM 785 CD GLN A 52 13.981 3.166 14.768 1.00 0.00 C ATOM 786 OE1 GLN A 52 12.863 3.636 14.903 1.00 0.00 O ATOM 787 NE2 GLN A 52 14.629 2.503 15.721 1.00 0.00 N ATOM 0 H GLN A 52 15.356 1.776 11.304 1.00 0.00 H new ATOM 0 HA GLN A 52 12.879 1.577 12.594 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.322 3.999 11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.957 4.066 12.564 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.386 2.414 13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 52 15.434 4.154 13.516 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.563 2.135 15.541 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.192 2.362 16.632 1.00 0.00 H new ATOM 796 N HIS A 53 11.044 2.437 11.091 1.00 0.00 N ATOM 797 CA HIS A 53 9.942 2.609 10.160 1.00 0.00 C ATOM 798 C HIS A 53 10.185 3.852 9.301 1.00 0.00 C ATOM 799 O HIS A 53 10.800 4.815 9.757 1.00 0.00 O ATOM 800 CB HIS A 53 8.605 2.653 10.902 1.00 0.00 C ATOM 801 CG HIS A 53 8.482 1.631 12.006 1.00 0.00 C ATOM 802 ND1 HIS A 53 8.839 1.897 13.317 1.00 0.00 N ATOM 803 CD2 HIS A 53 8.037 0.342 11.982 1.00 0.00 C ATOM 804 CE1 HIS A 53 8.616 0.809 14.040 1.00 0.00 C ATOM 805 NE2 HIS A 53 8.119 -0.153 13.211 1.00 0.00 N ATOM 0 H HIS A 53 10.777 2.456 12.075 1.00 0.00 H new ATOM 0 HA HIS A 53 9.891 1.751 9.490 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.469 3.648 11.325 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.798 2.498 10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.679 -0.186 11.111 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.796 0.703 15.100 1.00 0.00 H new ATOM 0 HE2 HIS A 53 7.854 -1.098 13.490 1.00 0.00 H new ATOM 813 N ILE A 54 9.690 3.791 8.074 1.00 0.00 N ATOM 814 CA ILE A 54 9.845 4.899 7.148 1.00 0.00 C ATOM 815 C ILE A 54 8.716 5.907 7.371 1.00 0.00 C ATOM 816 O ILE A 54 8.058 6.328 6.421 1.00 0.00 O ATOM 817 CB ILE A 54 9.936 4.387 5.709 1.00 0.00 C ATOM 818 CG1 ILE A 54 11.070 3.371 5.559 1.00 0.00 C ATOM 819 CG2 ILE A 54 10.071 5.547 4.721 1.00 0.00 C ATOM 820 CD1 ILE A 54 10.544 1.939 5.676 1.00 0.00 C ATOM 0 H ILE A 54 9.181 2.991 7.699 1.00 0.00 H new ATOM 0 HA ILE A 54 10.782 5.423 7.336 1.00 0.00 H new ATOM 0 HB ILE A 54 9.007 3.869 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.558 3.505 4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.825 3.548 6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.134 5.155 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.202 6.199 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.974 6.114 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.371 1.237 5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.079 1.801 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.807 1.757 4.894 1.00 0.00 H new ATOM 832 N SER A 55 8.527 6.266 8.633 1.00 0.00 N ATOM 833 CA SER A 55 7.489 7.217 8.993 1.00 0.00 C ATOM 834 C SER A 55 6.225 6.946 8.175 1.00 0.00 C ATOM 835 O SER A 55 5.812 7.780 7.371 1.00 0.00 O ATOM 836 CB SER A 55 7.962 8.656 8.779 1.00 0.00 C ATOM 837 OG SER A 55 9.023 9.006 9.664 1.00 0.00 O ATOM 0 H SER A 55 9.075 5.915 9.418 1.00 0.00 H new ATOM 0 HA SER A 55 7.263 7.092 10.052 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.294 8.779 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.125 9.339 8.928 1.00 0.00 H new ATOM 0 HG SER A 55 9.298 9.931 9.495 1.00 0.00 H new ATOM 843 N TRP A 56 5.646 5.778 8.410 1.00 0.00 N ATOM 844 CA TRP A 56 4.437 5.387 7.705 1.00 0.00 C ATOM 845 C TRP A 56 3.286 6.249 8.227 1.00 0.00 C ATOM 846 O TRP A 56 2.496 6.776 7.445 1.00 0.00 O ATOM 847 CB TRP A 56 4.176 3.887 7.854 1.00 0.00 C ATOM 848 CG TRP A 56 5.095 3.008 7.003 1.00 0.00 C ATOM 849 CD1 TRP A 56 6.062 2.180 7.421 1.00 0.00 C ATOM 850 CD2 TRP A 56 5.094 2.903 5.564 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.682 1.551 6.360 1.00 0.00 N ATOM 852 CE2 TRP A 56 6.075 2.005 5.195 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.291 3.545 4.605 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.344 1.667 3.863 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.573 3.198 3.279 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.557 2.295 2.891 1.00 0.00 C ATOM 0 H TRP A 56 5.991 5.090 9.079 1.00 0.00 H new ATOM 0 HA TRP A 56 4.543 5.559 6.634 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.294 3.610 8.902 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.140 3.680 7.584 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.323 2.024 8.457 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.445 0.877 6.420 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.518 4.250 4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.117 0.960 3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.985 3.664 2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.713 2.079 1.844 1.00 0.00 H new ATOM 867 N SER A 57 3.227 6.366 9.545 1.00 0.00 N ATOM 868 CA SER A 57 2.185 7.155 10.181 1.00 0.00 C ATOM 869 C SER A 57 1.951 8.445 9.392 1.00 0.00 C ATOM 870 O SER A 57 0.815 8.772 9.054 1.00 0.00 O ATOM 871 CB SER A 57 2.548 7.478 11.632 1.00 0.00 C ATOM 872 OG SER A 57 2.100 6.468 12.532 1.00 0.00 O ATOM 0 H SER A 57 3.884 5.928 10.191 1.00 0.00 H new ATOM 0 HA SER A 57 1.266 6.569 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.629 7.588 11.719 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.107 8.435 11.912 1.00 0.00 H new ATOM 0 HG SER A 57 2.352 6.710 13.447 1.00 0.00 H new ATOM 878 N TYR A 58 3.044 9.142 9.122 1.00 0.00 N ATOM 879 CA TYR A 58 2.972 10.389 8.380 1.00 0.00 C ATOM 880 C TYR A 58 2.463 10.151 6.957 1.00 0.00 C ATOM 881 O TYR A 58 1.533 10.820 6.507 1.00 0.00 O ATOM 882 CB TYR A 58 4.404 10.924 8.313 1.00 0.00 C ATOM 883 CG TYR A 58 4.535 12.262 7.582 1.00 0.00 C ATOM 884 CD1 TYR A 58 4.187 13.434 8.221 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.002 12.296 6.284 1.00 0.00 C ATOM 886 CE1 TYR A 58 4.310 14.693 7.533 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.126 13.555 5.596 1.00 0.00 C ATOM 888 CZ TYR A 58 4.774 14.691 6.255 1.00 0.00 C ATOM 889 OH TYR A 58 4.891 15.880 5.605 1.00 0.00 O ATOM 0 H TYR A 58 3.985 8.867 9.404 1.00 0.00 H new ATOM 0 HA TYR A 58 2.288 11.085 8.865 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.787 11.037 9.327 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.034 10.187 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.822 13.407 9.237 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.275 11.378 5.784 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.040 15.618 8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.490 13.596 4.580 1.00 0.00 H new ATOM 0 HH TYR A 58 5.236 15.726 4.701 1.00 0.00 H new ATOM 899 N VAL A 59 3.094 9.197 6.289 1.00 0.00 N ATOM 900 CA VAL A 59 2.716 8.863 4.926 1.00 0.00 C ATOM 901 C VAL A 59 1.204 8.634 4.862 1.00 0.00 C ATOM 902 O VAL A 59 0.513 9.250 4.052 1.00 0.00 O ATOM 903 CB VAL A 59 3.524 7.658 4.440 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.905 7.057 3.176 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.988 8.038 4.206 1.00 0.00 C ATOM 0 H VAL A 59 3.864 8.645 6.666 1.00 0.00 H new ATOM 0 HA VAL A 59 2.949 9.687 4.252 1.00 0.00 H new ATOM 0 HB VAL A 59 3.496 6.898 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.498 6.202 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.887 6.732 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.889 7.808 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.540 7.164 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.044 8.823 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.424 8.398 5.138 1.00 0.00 H new ATOM 915 N TRP A 60 0.735 7.746 5.726 1.00 0.00 N ATOM 916 CA TRP A 60 -0.681 7.428 5.778 1.00 0.00 C ATOM 917 C TRP A 60 -1.431 8.681 6.236 1.00 0.00 C ATOM 918 O TRP A 60 -2.555 8.929 5.803 1.00 0.00 O ATOM 919 CB TRP A 60 -0.939 6.216 6.676 1.00 0.00 C ATOM 920 CG TRP A 60 -0.205 4.948 6.236 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.633 4.188 6.954 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.279 4.319 4.939 1.00 0.00 C ATOM 923 NE1 TRP A 60 1.103 3.120 6.218 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.531 3.201 4.954 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.007 4.681 3.792 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.690 2.355 3.850 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.836 3.825 2.697 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.024 2.697 2.696 1.00 0.00 C ATOM 0 H TRP A 60 1.311 7.237 6.396 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.048 7.143 4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.640 6.462 7.695 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.010 6.014 6.698 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.906 4.387 7.980 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.751 2.402 6.542 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.647 5.550 3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.329 1.485 3.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.373 4.058 1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.056 2.087 1.808 1.00 0.00 H new ATOM 939 N ARG A 61 -0.777 9.439 7.104 1.00 0.00 N ATOM 940 CA ARG A 61 -1.368 10.660 7.625 1.00 0.00 C ATOM 941 C ARG A 61 -0.990 11.851 6.742 1.00 0.00 C ATOM 942 O ARG A 61 -0.747 12.947 7.242 1.00 0.00 O ATOM 943 CB ARG A 61 -0.903 10.929 9.058 1.00 0.00 C ATOM 944 CG ARG A 61 -1.731 12.042 9.703 1.00 0.00 C ATOM 945 CD ARG A 61 -0.861 12.922 10.602 1.00 0.00 C ATOM 946 NE ARG A 61 -1.460 13.016 11.952 1.00 0.00 N ATOM 947 CZ ARG A 61 -1.118 13.936 12.863 1.00 0.00 C ATOM 948 NH1 ARG A 61 -0.179 14.848 12.576 1.00 0.00 N ATOM 949 NH2 ARG A 61 -1.715 13.945 14.063 1.00 0.00 N ATOM 0 H ARG A 61 0.156 9.231 7.460 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.450 10.531 7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.989 10.017 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.150 11.209 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.193 12.653 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.540 11.605 10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.144 12.506 10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.765 13.917 10.168 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.178 12.337 12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.276 14.842 11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.081 15.548 13.270 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.430 13.251 14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.455 14.646 14.757 1.00 0.00 H new ATOM 963 N THR A 62 -0.952 11.594 5.442 1.00 0.00 N ATOM 964 CA THR A 62 -0.608 12.631 4.484 1.00 0.00 C ATOM 965 C THR A 62 -1.160 12.283 3.101 1.00 0.00 C ATOM 966 O THR A 62 -1.764 13.126 2.439 1.00 0.00 O ATOM 967 CB THR A 62 0.912 12.809 4.505 1.00 0.00 C ATOM 968 OG1 THR A 62 1.157 13.565 5.687 1.00 0.00 O ATOM 969 CG2 THR A 62 1.411 13.711 3.375 1.00 0.00 C ATOM 0 H THR A 62 -1.154 10.683 5.030 1.00 0.00 H new ATOM 0 HA THR A 62 -1.065 13.584 4.751 1.00 0.00 H new ATOM 0 HB THR A 62 1.393 11.834 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.316 13.695 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.495 13.804 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.137 13.275 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.956 14.697 3.469 1.00 0.00 H new ATOM 977 N TYR A 63 -0.933 11.040 2.703 1.00 0.00 N ATOM 978 CA TYR A 63 -1.400 10.570 1.410 1.00 0.00 C ATOM 979 C TYR A 63 -2.491 9.510 1.573 1.00 0.00 C ATOM 980 O TYR A 63 -2.624 8.910 2.639 1.00 0.00 O ATOM 981 CB TYR A 63 -0.186 9.935 0.729 1.00 0.00 C ATOM 982 CG TYR A 63 0.845 10.946 0.225 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.692 11.528 -1.017 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.929 11.277 1.013 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.662 12.480 -1.491 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.900 12.230 0.538 1.00 0.00 C ATOM 987 CZ TYR A 63 2.718 12.784 -0.690 1.00 0.00 C ATOM 988 OH TYR A 63 3.635 13.683 -1.138 1.00 0.00 O ATOM 0 H TYR A 63 -0.431 10.343 3.254 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.821 11.392 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.299 9.257 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.528 9.331 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.156 11.269 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.049 10.822 1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.554 12.942 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.753 12.498 1.144 1.00 0.00 H new ATOM 0 HH TYR A 63 4.333 13.803 -0.461 1.00 0.00 H new ATOM 998 N HIS A 64 -3.244 9.312 0.501 1.00 0.00 N ATOM 999 CA HIS A 64 -4.319 8.335 0.512 1.00 0.00 C ATOM 1000 C HIS A 64 -4.251 7.483 -0.756 1.00 0.00 C ATOM 1001 O HIS A 64 -3.478 7.778 -1.666 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.675 9.021 0.693 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.956 9.461 2.110 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.300 8.575 3.116 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.939 10.701 2.678 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.481 9.262 4.235 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.257 10.580 3.961 1.00 0.00 N ATOM 0 H HIS A 64 -3.131 9.812 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.199 7.666 1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.721 9.891 0.037 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.462 8.338 0.373 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.398 7.565 3.014 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.706 11.625 2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.757 8.851 5.195 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.071 6.442 -0.776 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.114 5.545 -1.918 1.00 0.00 C ATOM 1017 C LEU A 65 -6.351 5.858 -2.762 1.00 0.00 C ATOM 1018 O LEU A 65 -7.430 6.098 -2.223 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.036 4.088 -1.458 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.936 3.762 -0.446 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.939 2.273 -0.093 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.570 4.228 -0.951 1.00 0.00 C ATOM 0 H LEU A 65 -5.711 6.200 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.245 5.701 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.996 3.814 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.893 3.458 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.144 4.311 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.148 2.068 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.902 2.004 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.769 1.685 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.806 3.984 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.339 3.727 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.589 5.306 -1.110 1.00 0.00 H new ATOM 1034 N THR A 66 -6.153 5.846 -4.072 1.00 0.00 N ATOM 1035 CA THR A 66 -7.239 6.126 -4.996 1.00 0.00 C ATOM 1036 C THR A 66 -7.424 4.961 -5.971 1.00 0.00 C ATOM 1037 O THR A 66 -6.564 4.087 -6.070 1.00 0.00 O ATOM 1038 CB THR A 66 -6.940 7.456 -5.688 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.799 7.457 -6.825 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.532 7.502 -6.285 1.00 0.00 C ATOM 0 H THR A 66 -5.256 5.647 -4.516 1.00 0.00 H new ATOM 0 HA THR A 66 -8.189 6.223 -4.471 1.00 0.00 H new ATOM 0 HB THR A 66 -7.058 8.271 -4.974 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.671 8.287 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.371 8.468 -6.764 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.796 7.363 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.424 6.708 -7.024 1.00 0.00 H new ATOM 1048 N SER A 67 -8.551 4.987 -6.666 1.00 0.00 N ATOM 1049 CA SER A 67 -8.860 3.944 -7.630 1.00 0.00 C ATOM 1050 C SER A 67 -10.051 4.364 -8.492 1.00 0.00 C ATOM 1051 O SER A 67 -11.093 4.757 -7.969 1.00 0.00 O ATOM 1052 CB SER A 67 -9.154 2.616 -6.929 1.00 0.00 C ATOM 1053 OG SER A 67 -9.615 2.807 -5.595 1.00 0.00 O ATOM 0 H SER A 67 -9.262 5.714 -6.581 1.00 0.00 H new ATOM 0 HA SER A 67 -7.989 3.801 -8.270 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.904 2.065 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.251 2.005 -6.917 1.00 0.00 H new ATOM 0 HG SER A 67 -10.480 3.267 -5.611 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.858 4.268 -9.800 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.904 4.633 -10.740 1.00 0.00 C ATOM 1061 C ALA A 68 -11.113 6.148 -10.700 1.00 0.00 C ATOM 1062 O ALA A 68 -10.861 6.839 -11.686 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.182 3.860 -10.408 1.00 0.00 C ATOM 0 H ALA A 68 -8.992 3.943 -10.231 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.616 4.366 -11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.967 4.134 -11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.988 2.790 -10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.503 4.105 -9.395 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.571 6.620 -9.550 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.816 8.041 -9.369 1.00 0.00 C ATOM 1071 C GLY A 69 -12.493 8.314 -8.024 1.00 0.00 C ATOM 1072 O GLY A 69 -13.370 9.170 -7.929 1.00 0.00 O ATOM 0 H GLY A 69 -11.779 6.044 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.874 8.586 -9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.445 8.411 -10.179 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.059 7.569 -7.018 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.612 7.719 -5.683 1.00 0.00 C ATOM 1078 C GLU A 70 -11.504 7.604 -4.634 1.00 0.00 C ATOM 1079 O GLU A 70 -10.558 6.837 -4.806 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.717 6.693 -5.428 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.088 7.256 -5.808 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.955 7.475 -4.567 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -16.254 6.462 -3.899 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.298 8.650 -4.314 1.00 0.00 O ATOM 0 H GLU A 70 -11.331 6.860 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.058 8.710 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.519 5.789 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.716 6.407 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.963 8.199 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.590 6.570 -6.490 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.659 8.377 -3.569 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.684 8.372 -2.492 1.00 0.00 C ATOM 1093 C LYS A 71 -10.929 7.157 -1.594 1.00 0.00 C ATOM 1094 O LYS A 71 -12.001 7.021 -1.007 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.706 9.705 -1.742 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.349 10.864 -2.675 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.914 12.096 -1.877 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.634 12.700 -2.456 1.00 0.00 C ATOM 1099 NZ LYS A 71 -7.879 13.420 -1.406 1.00 0.00 N ATOM 0 H LYS A 71 -12.446 9.011 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.675 8.275 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.695 9.869 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.001 9.671 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.547 10.560 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.209 11.114 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.710 12.841 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.751 11.820 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.014 11.912 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.882 13.384 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.013 13.824 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.467 14.185 -1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.625 12.758 -0.645 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.917 6.305 -1.516 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.010 5.107 -0.699 1.00 0.00 C ATOM 1115 C LEU A 72 -9.754 5.471 0.765 1.00 0.00 C ATOM 1116 O LEU A 72 -8.623 5.390 1.240 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.075 4.021 -1.235 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.099 3.801 -2.749 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.062 2.758 -3.168 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.506 3.436 -3.227 1.00 0.00 C ATOM 0 H LEU A 72 -9.029 6.421 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.014 4.687 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.055 4.270 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.327 3.079 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.827 4.738 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.100 2.621 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.067 3.098 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.279 1.811 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.496 3.285 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.831 2.519 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.195 4.244 -2.980 1.00 0.00 H new ATOM 1132 N THR A 73 -10.824 5.866 1.439 1.00 0.00 N ATOM 1133 CA THR A 73 -10.730 6.243 2.839 1.00 0.00 C ATOM 1134 C THR A 73 -11.370 5.172 3.724 1.00 0.00 C ATOM 1135 O THR A 73 -10.704 4.588 4.578 1.00 0.00 O ATOM 1136 CB THR A 73 -11.368 7.625 3.000 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.748 7.404 2.725 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.924 8.605 1.913 1.00 0.00 C ATOM 0 H THR A 73 -11.761 5.933 1.041 1.00 0.00 H new ATOM 0 HA THR A 73 -9.691 6.309 3.162 1.00 0.00 H new ATOM 0 HB THR A 73 -11.114 8.030 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.238 8.249 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.406 9.570 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.842 8.728 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.208 8.217 0.935 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.654 4.945 3.489 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.391 3.954 4.255 1.00 0.00 C ATOM 1148 C GLU A 74 -12.583 2.660 4.364 1.00 0.00 C ATOM 1149 O GLU A 74 -12.236 2.053 3.352 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.765 3.692 3.634 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.882 3.942 4.649 1.00 0.00 C ATOM 1152 CD GLU A 74 -17.088 4.610 3.985 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -17.724 3.930 3.150 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.345 5.784 4.326 1.00 0.00 O ATOM 0 H GLU A 74 -13.203 5.430 2.779 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.551 4.345 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.905 4.338 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.817 2.663 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.187 2.997 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.510 4.574 5.456 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.308 2.274 5.602 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.547 1.063 5.856 1.00 0.00 C ATOM 1163 C ASP A 75 -12.510 -0.116 6.010 1.00 0.00 C ATOM 1164 O ASP A 75 -12.204 -1.231 5.590 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.737 1.183 7.149 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.433 2.616 7.591 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.546 3.229 6.959 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -11.095 3.065 8.551 1.00 0.00 O ATOM 0 H ASP A 75 -12.599 2.779 6.439 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.868 0.909 5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.281 0.680 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.795 0.651 7.020 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.655 0.171 6.613 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.665 -0.852 6.828 1.00 0.00 C ATOM 1175 C ARG A 76 -15.226 -1.332 5.488 1.00 0.00 C ATOM 1176 O ARG A 76 -15.918 -2.348 5.429 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.810 -0.322 7.693 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.562 -0.619 9.173 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.642 -1.546 9.734 1.00 0.00 C ATOM 1180 NE ARG A 76 -17.100 -1.051 11.051 1.00 0.00 N ATOM 1181 CZ ARG A 76 -17.785 0.087 11.229 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -18.094 0.854 10.175 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -18.159 0.459 12.461 1.00 0.00 N ATOM 0 H ARG A 76 -13.906 1.097 6.959 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.190 -1.685 7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.914 0.753 7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.749 -0.778 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.582 -1.080 9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.549 0.313 9.738 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.483 -1.597 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.249 -2.558 9.833 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.881 -1.611 11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.808 0.572 9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.615 1.720 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.922 -0.124 13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.680 1.325 12.596 1.00 0.00 H new ATOM 1197 N LYS A 77 -14.908 -0.579 4.445 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.372 -0.916 3.110 1.00 0.00 C ATOM 1199 C LYS A 77 -14.343 -1.821 2.430 1.00 0.00 C ATOM 1200 O LYS A 77 -13.147 -1.716 2.696 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.693 0.354 2.319 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.211 0.012 0.920 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.007 1.178 0.330 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.118 0.673 -0.592 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.145 1.720 -0.788 1.00 0.00 N ATOM 0 H LYS A 77 -14.335 0.263 4.498 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.305 -1.477 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.440 0.941 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.799 0.973 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.372 -0.228 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.842 -0.876 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.440 1.772 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.338 1.835 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.696 0.384 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.576 -0.219 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.892 1.361 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.559 1.976 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.707 2.560 -1.216 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.847 -2.690 1.565 1.00 0.00 N ATOM 1220 CA LYS A 78 -13.986 -3.613 0.845 1.00 0.00 C ATOM 1221 C LYS A 78 -13.555 -2.975 -0.477 1.00 0.00 C ATOM 1222 O LYS A 78 -14.316 -2.224 -1.086 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.675 -4.968 0.678 1.00 0.00 C ATOM 1224 CG LYS A 78 -14.962 -5.609 2.037 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.457 -5.883 2.209 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.702 -6.918 3.309 1.00 0.00 C ATOM 1227 NZ LYS A 78 -17.776 -6.463 4.220 1.00 0.00 N ATOM 0 H LYS A 78 -15.840 -2.774 1.347 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.078 -3.811 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.607 -4.840 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.044 -5.630 0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.405 -6.541 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.615 -4.951 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.974 -4.956 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.875 -6.241 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.977 -7.874 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.784 -7.082 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.929 -7.177 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.500 -5.562 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.655 -6.329 3.681 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.335 -3.297 -0.883 1.00 0.00 N ATOM 1242 CA LEU A 79 -11.793 -2.765 -2.121 1.00 0.00 C ATOM 1243 C LEU A 79 -12.706 -3.160 -3.284 1.00 0.00 C ATOM 1244 O LEU A 79 -12.979 -2.349 -4.167 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.339 -3.205 -2.303 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.409 -2.954 -1.115 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.036 -3.587 -1.351 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.305 -1.459 -0.807 1.00 0.00 C ATOM 0 H LEU A 79 -11.707 -3.920 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.770 -1.676 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.328 -4.271 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.931 -2.691 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.839 -3.435 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.394 -3.394 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.149 -4.663 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.585 -3.156 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.638 -1.308 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.910 -0.935 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.293 -1.068 -0.566 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.153 -4.407 -3.246 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.029 -4.920 -4.285 1.00 0.00 C ATOM 1262 C ARG A 80 -15.302 -4.076 -4.371 1.00 0.00 C ATOM 1263 O ARG A 80 -15.828 -3.848 -5.459 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.409 -6.377 -4.015 1.00 0.00 C ATOM 1265 CG ARG A 80 -14.630 -7.138 -5.324 1.00 0.00 C ATOM 1266 CD ARG A 80 -15.096 -8.570 -5.054 1.00 0.00 C ATOM 1267 NE ARG A 80 -16.245 -8.902 -5.925 1.00 0.00 N ATOM 1268 CZ ARG A 80 -17.440 -8.301 -5.854 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -17.651 -7.334 -4.950 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -18.425 -8.667 -6.685 1.00 0.00 N ATOM 0 H ARG A 80 -12.925 -5.077 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.489 -4.866 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.621 -6.861 -3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.316 -6.414 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.372 -6.618 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.704 -7.155 -5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.278 -9.267 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.380 -8.677 -4.007 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.119 -9.635 -6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.902 -7.056 -4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.561 -6.876 -4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.265 -9.404 -7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.335 -8.209 -6.630 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.760 -3.634 -3.209 1.00 0.00 N ATOM 1285 CA ASP A 81 -16.961 -2.819 -3.139 1.00 0.00 C ATOM 1286 C ASP A 81 -16.679 -1.448 -3.756 1.00 0.00 C ATOM 1287 O ASP A 81 -17.605 -0.699 -4.063 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.397 -2.604 -1.688 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.867 -2.919 -1.401 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.722 -2.256 -2.028 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.102 -3.814 -0.561 1.00 0.00 O ATOM 0 H ASP A 81 -15.321 -3.825 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.752 -3.338 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.775 -3.224 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.204 -1.566 -1.416 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.396 -1.161 -3.919 1.00 0.00 N ATOM 1297 CA TYR A 82 -14.980 0.107 -4.494 1.00 0.00 C ATOM 1298 C TYR A 82 -14.724 -0.030 -5.997 1.00 0.00 C ATOM 1299 O TYR A 82 -14.417 0.953 -6.670 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.670 0.477 -3.797 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.787 1.666 -2.842 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.878 2.949 -3.344 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.802 1.457 -1.478 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.988 4.068 -2.445 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.912 2.576 -0.579 1.00 0.00 C ATOM 1306 CZ TYR A 82 -14.000 3.827 -1.107 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.104 4.884 -0.258 1.00 0.00 O ATOM 0 H TYR A 82 -14.631 -1.785 -3.663 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.754 0.862 -4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.309 -0.388 -3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.919 0.705 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.867 3.113 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.731 0.454 -1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.059 5.076 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.924 2.426 0.490 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.447 5.568 -0.505 1.00 0.00 H new ATOM 1317 N GLY A 83 -14.861 -1.257 -6.478 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.648 -1.535 -7.888 1.00 0.00 C ATOM 1319 C GLY A 83 -13.235 -2.069 -8.135 1.00 0.00 C ATOM 1320 O GLY A 83 -12.831 -2.260 -9.281 1.00 0.00 O ATOM 0 H GLY A 83 -15.117 -2.069 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.381 -2.264 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.804 -0.626 -8.469 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.523 -2.295 -7.041 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.165 -2.803 -7.123 1.00 0.00 C ATOM 1326 C ILE A 84 -11.190 -4.331 -7.040 1.00 0.00 C ATOM 1327 O ILE A 84 -11.372 -4.894 -5.961 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.280 -2.144 -6.063 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.475 -0.627 -6.053 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -8.813 -2.532 -6.254 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.764 0.010 -4.857 1.00 0.00 C ATOM 0 H ILE A 84 -12.862 -2.135 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.719 -2.543 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.586 -2.515 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.089 -0.201 -6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.539 -0.394 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.206 -2.050 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.709 -3.614 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.477 -2.209 -7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.919 1.089 -4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.169 -0.400 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.697 -0.204 -4.912 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.005 -4.958 -8.192 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.005 -6.409 -8.263 1.00 0.00 C ATOM 1345 C ARG A 85 -9.572 -6.935 -8.370 1.00 0.00 C ATOM 1346 O ARG A 85 -8.616 -6.165 -8.286 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.813 -6.902 -9.465 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.296 -6.561 -9.306 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.636 -5.250 -10.017 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.069 -5.231 -10.385 1.00 0.00 N ATOM 1351 CZ ARG A 85 -15.575 -5.838 -11.467 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -14.767 -6.515 -12.295 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -16.889 -5.767 -11.722 1.00 0.00 N ATOM 0 H ARG A 85 -10.854 -4.487 -9.084 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.467 -6.786 -7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.428 -6.448 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.693 -7.980 -9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.904 -7.368 -9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.543 -6.479 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.408 -4.405 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.021 -5.141 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.712 -4.724 -9.777 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.767 -6.568 -12.101 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.152 -6.977 -13.119 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.504 -5.251 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.274 -6.229 -12.546 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.467 -8.243 -8.554 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.167 -8.880 -8.673 1.00 0.00 C ATOM 1369 C ASN A 86 -7.435 -8.312 -9.890 1.00 0.00 C ATOM 1370 O ASN A 86 -8.043 -8.087 -10.936 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.311 -10.391 -8.871 1.00 0.00 C ATOM 1372 CG ASN A 86 -7.002 -11.005 -9.372 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -6.159 -11.444 -8.607 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.879 -11.010 -10.697 1.00 0.00 N ATOM 0 H ASN A 86 -10.261 -8.879 -8.624 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.611 -8.687 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.600 -10.859 -7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.109 -10.593 -9.586 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.041 -11.398 -11.130 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.623 -10.626 -11.280 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.140 -8.095 -9.714 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.318 -7.557 -10.784 1.00 0.00 C ATOM 1383 C ARG A 87 -5.807 -6.161 -11.178 1.00 0.00 C ATOM 1384 O ARG A 87 -6.198 -5.936 -12.322 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.351 -8.466 -12.014 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.165 -9.434 -12.012 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.740 -9.783 -13.439 1.00 0.00 C ATOM 1388 NE ARG A 87 -4.185 -11.152 -13.780 1.00 0.00 N ATOM 1389 CZ ARG A 87 -3.724 -11.854 -14.824 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -2.801 -11.320 -15.635 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -4.186 -13.091 -15.056 1.00 0.00 N ATOM 0 H ARG A 87 -5.639 -8.282 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.293 -7.498 -10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.284 -9.029 -12.030 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.329 -7.860 -12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.327 -8.986 -11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.435 -10.344 -11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.169 -9.067 -14.140 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.656 -9.710 -13.532 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.887 -11.589 -13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.449 -10.379 -15.458 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.450 -11.854 -16.430 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.888 -13.497 -14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.835 -13.626 -15.851 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.768 -5.260 -10.208 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.202 -3.892 -10.438 1.00 0.00 C ATOM 1407 C ASP A 88 -5.002 -2.952 -10.305 1.00 0.00 C ATOM 1408 O ASP A 88 -3.918 -3.376 -9.908 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.252 -3.467 -9.410 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.093 -2.253 -9.810 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -9.043 -2.454 -10.596 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -7.766 -1.150 -9.319 1.00 0.00 O ATOM 0 H ASP A 88 -5.442 -5.450 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.634 -3.839 -11.437 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.920 -4.308 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.749 -3.247 -8.468 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.237 -1.693 -10.646 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.190 -0.689 -10.569 1.00 0.00 C ATOM 1419 C GLU A 89 -4.619 0.457 -9.651 1.00 0.00 C ATOM 1420 O GLU A 89 -5.496 1.244 -10.004 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.826 -0.170 -11.962 1.00 0.00 C ATOM 1422 CG GLU A 89 -3.203 -1.277 -12.814 1.00 0.00 C ATOM 1423 CD GLU A 89 -3.194 -0.890 -14.294 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.837 0.275 -14.574 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -3.544 -1.767 -15.113 1.00 0.00 O ATOM 0 H GLU A 89 -6.137 -1.346 -10.976 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.299 -1.152 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.719 0.215 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.127 0.662 -11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.184 -1.469 -12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.763 -2.203 -12.680 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.980 0.515 -8.492 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.285 1.552 -7.521 1.00 0.00 C ATOM 1434 C VAL A 90 -3.138 2.565 -7.486 1.00 0.00 C ATOM 1435 O VAL A 90 -1.980 2.204 -7.689 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.569 0.923 -6.155 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.381 1.944 -5.032 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.972 0.315 -6.114 1.00 0.00 C ATOM 0 H VAL A 90 -3.252 -0.139 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.187 2.092 -7.809 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.850 0.119 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.589 1.471 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.354 2.310 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.065 2.779 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.149 -0.125 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.712 1.094 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.056 -0.457 -6.879 1.00 0.00 H new ATOM 1448 N SER A 91 -3.501 3.812 -7.226 1.00 0.00 N ATOM 1449 CA SER A 91 -2.517 4.880 -7.161 1.00 0.00 C ATOM 1450 C SER A 91 -2.623 5.609 -5.820 1.00 0.00 C ATOM 1451 O SER A 91 -3.593 5.428 -5.086 1.00 0.00 O ATOM 1452 CB SER A 91 -2.697 5.865 -8.317 1.00 0.00 C ATOM 1453 OG SER A 91 -4.000 5.785 -8.889 1.00 0.00 O ATOM 0 H SER A 91 -4.463 4.107 -7.058 1.00 0.00 H new ATOM 0 HA SER A 91 -1.525 4.437 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.520 6.879 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.951 5.663 -9.085 1.00 0.00 H new ATOM 0 HG SER A 91 -4.075 6.431 -9.622 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.611 6.418 -5.541 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.578 7.175 -4.302 1.00 0.00 C ATOM 1461 C PHE A 92 -1.969 8.635 -4.540 1.00 0.00 C ATOM 1462 O PHE A 92 -1.558 9.237 -5.532 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.140 7.122 -3.783 1.00 0.00 C ATOM 1464 CG PHE A 92 0.043 6.246 -2.543 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.370 6.694 -1.327 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.619 5.019 -2.655 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.201 5.881 -0.175 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.789 4.206 -1.503 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.375 4.654 -0.288 1.00 0.00 C ATOM 0 H PHE A 92 -0.808 6.565 -6.152 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.284 6.750 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.508 6.750 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.189 8.135 -3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.827 7.669 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.947 4.663 -3.620 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.530 6.237 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.247 3.232 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.504 4.035 0.588 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.757 9.162 -3.615 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.207 10.540 -3.712 1.00 0.00 C ATOM 1481 C ILE A 93 -2.695 11.326 -2.504 1.00 0.00 C ATOM 1482 O ILE A 93 -2.291 10.738 -1.502 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.727 10.596 -3.883 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -5.169 11.963 -4.410 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.439 10.226 -2.581 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.236 11.813 -5.496 1.00 0.00 C ATOM 0 H ILE A 93 -3.096 8.660 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.791 11.015 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.015 9.855 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.562 12.563 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.308 12.497 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.518 10.274 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.158 9.215 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.150 10.926 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.533 12.799 -5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.832 11.233 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.105 11.300 -5.084 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.728 12.644 -2.638 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.272 13.516 -1.570 1.00 0.00 C ATOM 1500 C LYS A 94 -3.460 14.312 -1.024 1.00 0.00 C ATOM 1501 O LYS A 94 -4.380 14.648 -1.768 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.114 14.393 -2.051 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.681 15.376 -0.962 1.00 0.00 C ATOM 1504 CD LYS A 94 0.135 16.527 -1.555 1.00 0.00 C ATOM 1505 CE LYS A 94 1.633 16.307 -1.336 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.411 16.896 -2.448 1.00 0.00 N ATOM 0 H LYS A 94 -3.064 13.129 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.874 12.928 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.270 13.764 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.415 14.942 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.560 15.773 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.088 14.854 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.072 16.612 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.169 17.468 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.939 16.758 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.843 15.240 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.426 16.738 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.131 16.447 -3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.224 17.918 -2.500 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.401 14.590 0.270 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.461 15.340 0.923 1.00 0.00 C ATOM 1522 C LYS A 95 -4.431 16.789 0.433 1.00 0.00 C ATOM 1523 O LYS A 95 -3.633 17.138 -0.436 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.356 15.202 2.443 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.954 13.876 2.916 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.346 13.947 4.393 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.765 14.495 4.558 1.00 0.00 C ATOM 1528 NZ LYS A 95 -6.855 15.347 5.765 1.00 0.00 N ATOM 0 H LYS A 95 -2.636 14.310 0.884 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.436 14.933 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.311 15.262 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.875 16.031 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.830 13.633 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.232 13.073 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.282 12.954 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.642 14.583 4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.043 15.073 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.473 13.670 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.825 15.711 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.610 14.785 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.193 16.145 5.677 1.00 0.00 H new ATOM 1542 N LEU A 96 -5.310 17.593 1.011 1.00 0.00 N ATOM 1543 CA LEU A 96 -5.395 18.997 0.644 1.00 0.00 C ATOM 1544 C LEU A 96 -4.419 19.804 1.503 1.00 0.00 C ATOM 1545 O LEU A 96 -4.638 19.978 2.701 1.00 0.00 O ATOM 1546 CB LEU A 96 -6.842 19.487 0.732 1.00 0.00 C ATOM 1547 CG LEU A 96 -7.377 20.219 -0.500 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -8.383 19.352 -1.259 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -7.967 21.578 -0.117 1.00 0.00 C ATOM 0 H LEU A 96 -5.970 17.300 1.731 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.098 19.138 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.484 18.628 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.928 20.152 1.591 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.542 20.408 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.748 19.896 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.898 18.431 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.221 19.110 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.340 22.078 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.787 21.433 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.195 22.192 0.346 1.00 0.00 H new ATOM 1561 N GLY A 97 -3.362 20.274 0.857 1.00 0.00 N ATOM 1562 CA GLY A 97 -2.352 21.059 1.547 1.00 0.00 C ATOM 1563 C GLY A 97 -0.980 20.881 0.893 1.00 0.00 C ATOM 1564 O GLY A 97 -0.590 19.766 0.552 1.00 0.00 O ATOM 0 H GLY A 97 -3.183 20.127 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.632 22.112 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.303 20.756 2.593 1.00 0.00 H new ATOM 1568 N GLN A 98 -0.284 21.998 0.740 1.00 0.00 N ATOM 1569 CA GLN A 98 1.036 21.980 0.133 1.00 0.00 C ATOM 1570 C GLN A 98 2.117 22.021 1.215 1.00 0.00 C ATOM 1571 O GLN A 98 2.385 23.074 1.791 1.00 0.00 O ATOM 1572 CB GLN A 98 1.203 23.139 -0.852 1.00 0.00 C ATOM 1573 CG GLN A 98 2.530 23.031 -1.606 1.00 0.00 C ATOM 1574 CD GLN A 98 3.487 24.152 -1.195 1.00 0.00 C ATOM 1575 OE1 GLN A 98 3.108 25.302 -1.044 1.00 0.00 O ATOM 1576 NE2 GLN A 98 4.744 23.754 -1.022 1.00 0.00 N ATOM 0 H GLN A 98 -0.609 22.921 1.026 1.00 0.00 H new ATOM 0 HA GLN A 98 1.144 21.052 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.376 23.139 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.162 24.086 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.989 22.063 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.347 23.079 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.993 22.775 -1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.459 24.427 -0.746 1.00 0.00 H new ATOM 1585 N LYS A 99 2.710 20.861 1.459 1.00 0.00 N ATOM 1586 CA LYS A 99 3.756 20.751 2.461 1.00 0.00 C ATOM 1587 C LYS A 99 5.080 20.412 1.774 1.00 0.00 C ATOM 1588 O LYS A 99 5.144 19.495 0.957 1.00 0.00 O ATOM 1589 CB LYS A 99 3.353 19.751 3.547 1.00 0.00 C ATOM 1590 CG LYS A 99 4.462 19.599 4.590 1.00 0.00 C ATOM 1591 CD LYS A 99 4.465 20.780 5.564 1.00 0.00 C ATOM 1592 CE LYS A 99 5.257 20.445 6.830 1.00 0.00 C ATOM 1593 NZ LYS A 99 4.339 20.189 7.962 1.00 0.00 N ATOM 0 H LYS A 99 2.486 19.989 0.980 1.00 0.00 H new ATOM 0 HA LYS A 99 3.896 21.703 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.436 20.085 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.140 18.783 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.323 18.669 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.429 19.532 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.900 21.654 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.440 21.039 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.881 19.569 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.927 21.269 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.892 19.963 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.761 21.036 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.717 19.388 7.731 1.00 0.00 H new ATOM 1607 N SER A 100 6.106 21.171 2.131 1.00 0.00 N ATOM 1608 CA SER A 100 7.425 20.963 1.560 1.00 0.00 C ATOM 1609 C SER A 100 7.983 19.612 2.009 1.00 0.00 C ATOM 1610 O SER A 100 7.831 19.228 3.168 1.00 0.00 O ATOM 1611 CB SER A 100 8.381 22.091 1.956 1.00 0.00 C ATOM 1612 OG SER A 100 8.430 22.278 3.367 1.00 0.00 O ATOM 0 H SER A 100 6.050 21.931 2.809 1.00 0.00 H new ATOM 0 HA SER A 100 7.332 20.967 0.474 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.381 21.866 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.065 23.018 1.478 1.00 0.00 H new ATOM 0 HG SER A 100 9.052 23.005 3.579 1.00 0.00 H new ATOM 1618 N GLY A 101 8.618 18.927 1.069 1.00 0.00 N ATOM 1619 CA GLY A 101 9.200 17.627 1.354 1.00 0.00 C ATOM 1620 C GLY A 101 9.242 16.757 0.096 1.00 0.00 C ATOM 1621 O GLY A 101 8.337 15.959 -0.143 1.00 0.00 O ATOM 0 H GLY A 101 8.742 19.248 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.209 17.754 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.618 17.126 2.128 1.00 0.00 H new ATOM 1625 N PRO A 102 10.331 16.946 -0.697 1.00 0.00 N ATOM 1626 CA PRO A 102 10.504 16.189 -1.925 1.00 0.00 C ATOM 1627 C PRO A 102 10.928 14.749 -1.626 1.00 0.00 C ATOM 1628 O PRO A 102 12.013 14.516 -1.096 1.00 0.00 O ATOM 1629 CB PRO A 102 11.543 16.961 -2.721 1.00 0.00 C ATOM 1630 CG PRO A 102 12.252 17.859 -1.720 1.00 0.00 C ATOM 1631 CD PRO A 102 11.423 17.882 -0.446 1.00 0.00 C ATOM 0 HA PRO A 102 9.579 16.092 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.247 16.284 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.073 17.549 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.255 17.485 -1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 102 12.362 18.866 -2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.015 17.577 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.046 18.883 -0.237 1.00 0.00 H new ATOM 1639 N SER A 103 10.050 13.822 -1.979 1.00 0.00 N ATOM 1640 CA SER A 103 10.320 12.412 -1.755 1.00 0.00 C ATOM 1641 C SER A 103 10.918 11.787 -3.017 1.00 0.00 C ATOM 1642 O SER A 103 10.197 11.481 -3.965 1.00 0.00 O ATOM 1643 CB SER A 103 9.048 11.666 -1.346 1.00 0.00 C ATOM 1644 OG SER A 103 9.331 10.357 -0.860 1.00 0.00 O ATOM 0 H SER A 103 9.151 14.020 -2.419 1.00 0.00 H new ATOM 0 HA SER A 103 11.038 12.327 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.526 12.234 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.376 11.598 -2.202 1.00 0.00 H new ATOM 0 HG SER A 103 8.494 9.914 -0.608 1.00 0.00 H new ATOM 1650 N SER A 104 12.232 11.618 -2.989 1.00 0.00 N ATOM 1651 CA SER A 104 12.936 11.035 -4.119 1.00 0.00 C ATOM 1652 C SER A 104 13.318 9.587 -3.807 1.00 0.00 C ATOM 1653 O SER A 104 12.898 8.666 -4.506 1.00 0.00 O ATOM 1654 CB SER A 104 14.183 11.849 -4.470 1.00 0.00 C ATOM 1655 OG SER A 104 15.067 11.978 -3.359 1.00 0.00 O ATOM 0 H SER A 104 12.828 11.875 -2.202 1.00 0.00 H new ATOM 0 HA SER A 104 12.270 11.050 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.708 11.370 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.885 12.840 -4.813 1.00 0.00 H new ATOM 0 HG SER A 104 15.851 12.502 -3.624 1.00 0.00 H new ATOM 1661 N GLY A 105 14.110 9.430 -2.756 1.00 0.00 N ATOM 1662 CA GLY A 105 14.553 8.110 -2.343 1.00 0.00 C ATOM 1663 C GLY A 105 15.862 8.192 -1.554 1.00 0.00 C ATOM 1664 O GLY A 105 16.446 9.267 -1.425 1.00 0.00 O ATOM 0 H GLY A 105 14.456 10.196 -2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 105 13.784 7.640 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.692 7.478 -3.220 1.00 0.00 H new TER 1668 GLY A 105