USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 708 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+ 162:sc= 0.902 (180deg=0.678) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -173:sc= -0.0117 (180deg=-0.109) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0231 K(o=0.023,f=-2.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 22 ASN : amide:sc= -0.714 K(o=-0.71,f=-3.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -12:sc= 1.16 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 23:sc= 0.745 USER MOD Single : A 57 THR OG1 : rot -76:sc= 0.305 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -172:sc= -0.184 (180deg=-0.324) USER MOD Single : A 72 ASN : amide:sc= 0.0608 K(o=0.061,f=-2.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00247 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00364 USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0635) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.034 33.100 9.850 1.00 0.00 N ATOM 2 CA GLY A 1 -2.728 33.358 11.128 1.00 0.00 C ATOM 3 C GLY A 1 -2.601 32.111 11.980 1.00 0.00 C ATOM 4 O GLY A 1 -1.477 31.767 12.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.350 33.789 9.138 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.007 33.191 9.988 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.256 32.138 9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.287 34.215 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.777 33.596 10.952 1.00 0.00 H new ATOM 8 N HIS A 2 -3.688 31.344 12.151 1.00 0.00 N ATOM 9 CA HIS A 2 -3.544 29.896 11.978 1.00 0.00 C ATOM 10 C HIS A 2 -2.904 29.694 10.597 1.00 0.00 C ATOM 11 O HIS A 2 -3.150 30.494 9.683 1.00 0.00 O ATOM 12 CB HIS A 2 -4.911 29.184 12.036 1.00 0.00 C ATOM 13 CG HIS A 2 -5.347 28.745 13.416 1.00 0.00 C ATOM 14 ND1 HIS A 2 -5.767 27.476 13.767 1.00 0.00 N ATOM 15 CD2 HIS A 2 -5.443 29.533 14.532 1.00 0.00 C ATOM 16 CE1 HIS A 2 -6.105 27.500 15.066 1.00 0.00 C ATOM 17 NE2 HIS A 2 -5.899 28.728 15.582 1.00 0.00 N ATOM 0 H HIS A 2 -4.621 31.677 12.394 1.00 0.00 H new ATOM 0 HA HIS A 2 -2.935 29.472 12.776 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -5.669 29.852 11.628 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -4.875 28.309 11.387 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -5.209 30.586 14.591 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -6.488 26.655 15.619 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -6.047 29.015 16.550 1.00 0.00 H new ATOM 25 N MET A 3 -2.042 28.696 10.466 1.00 0.00 N ATOM 26 CA MET A 3 -1.449 28.247 9.215 1.00 0.00 C ATOM 27 C MET A 3 -1.321 26.746 9.417 1.00 0.00 C ATOM 28 O MET A 3 -0.614 26.321 10.336 1.00 0.00 O ATOM 29 CB MET A 3 -0.085 28.905 8.960 1.00 0.00 C ATOM 30 CG MET A 3 -0.174 30.427 8.813 1.00 0.00 C ATOM 31 SD MET A 3 1.354 31.314 8.401 1.00 0.00 S ATOM 32 CE MET A 3 2.444 30.800 9.759 1.00 0.00 C ATOM 0 H MET A 3 -1.722 28.152 11.267 1.00 0.00 H new ATOM 0 HA MET A 3 -2.046 28.512 8.342 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.588 28.664 9.782 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.353 28.483 8.055 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.911 30.649 8.041 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.559 30.834 9.748 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.377 31.362 9.709 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.954 30.995 10.713 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.657 29.735 9.671 1.00 0.00 H new ATOM 42 N VAL A 4 -2.127 25.976 8.696 1.00 0.00 N ATOM 43 CA VAL A 4 -2.496 24.604 9.038 1.00 0.00 C ATOM 44 C VAL A 4 -2.964 23.823 7.801 1.00 0.00 C ATOM 45 O VAL A 4 -3.612 22.786 7.925 1.00 0.00 O ATOM 46 CB VAL A 4 -3.523 24.647 10.204 1.00 0.00 C ATOM 47 CG1 VAL A 4 -4.917 25.100 9.754 1.00 0.00 C ATOM 48 CG2 VAL A 4 -3.626 23.326 10.975 1.00 0.00 C ATOM 0 H VAL A 4 -2.557 26.298 7.829 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.628 24.046 9.390 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.124 25.397 10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.591 25.110 10.611 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.855 26.102 9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.298 24.410 9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.360 23.427 11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.936 22.532 10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.655 23.078 11.404 1.00 0.00 H new ATOM 58 N GLU A 5 -2.629 24.287 6.597 1.00 0.00 N ATOM 59 CA GLU A 5 -3.087 23.729 5.315 1.00 0.00 C ATOM 60 C GLU A 5 -2.384 22.404 4.959 1.00 0.00 C ATOM 61 O GLU A 5 -2.072 22.137 3.798 1.00 0.00 O ATOM 62 CB GLU A 5 -2.938 24.748 4.173 1.00 0.00 C ATOM 63 CG GLU A 5 -3.505 26.137 4.485 1.00 0.00 C ATOM 64 CD GLU A 5 -2.406 27.079 4.978 1.00 0.00 C ATOM 65 OE1 GLU A 5 -1.768 27.738 4.124 1.00 0.00 O ATOM 66 OE2 GLU A 5 -2.170 27.139 6.205 1.00 0.00 O ATOM 0 H GLU A 5 -2.010 25.089 6.478 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.146 23.505 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.881 24.848 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.436 24.357 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.971 26.552 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.285 26.054 5.242 1.00 0.00 H new ATOM 73 N ALA A 6 -2.087 21.570 5.953 1.00 0.00 N ATOM 74 CA ALA A 6 -1.752 20.178 5.730 1.00 0.00 C ATOM 75 C ALA A 6 -3.025 19.431 5.376 1.00 0.00 C ATOM 76 O ALA A 6 -3.970 19.437 6.169 1.00 0.00 O ATOM 77 CB ALA A 6 -1.205 19.548 7.014 1.00 0.00 C ATOM 0 H ALA A 6 -2.074 21.847 6.935 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.007 20.118 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.958 18.502 6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.309 20.083 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.958 19.610 7.799 1.00 0.00 H new ATOM 83 N ASP A 7 -2.988 18.673 4.289 1.00 0.00 N ATOM 84 CA ASP A 7 -3.744 17.441 4.188 1.00 0.00 C ATOM 85 C ASP A 7 -2.980 16.536 3.233 1.00 0.00 C ATOM 86 O ASP A 7 -2.441 17.012 2.226 1.00 0.00 O ATOM 87 CB ASP A 7 -5.162 17.706 3.676 1.00 0.00 C ATOM 88 CG ASP A 7 -6.056 16.484 3.846 1.00 0.00 C ATOM 89 OD1 ASP A 7 -5.836 15.684 4.783 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.040 16.355 3.080 1.00 0.00 O ATOM 0 H ASP A 7 -2.436 18.896 3.460 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.851 16.971 5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.592 18.550 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.123 17.986 2.623 1.00 0.00 H new ATOM 95 N ARG A 8 -2.896 15.243 3.531 1.00 0.00 N ATOM 96 CA ARG A 8 -2.150 14.283 2.733 1.00 0.00 C ATOM 97 C ARG A 8 -2.897 12.951 2.767 1.00 0.00 C ATOM 98 O ARG A 8 -2.439 12.009 3.414 1.00 0.00 O ATOM 99 CB ARG A 8 -0.732 14.168 3.310 1.00 0.00 C ATOM 100 CG ARG A 8 0.233 13.430 2.375 1.00 0.00 C ATOM 101 CD ARG A 8 1.375 12.813 3.190 1.00 0.00 C ATOM 102 NE ARG A 8 2.184 13.828 3.894 1.00 0.00 N ATOM 103 CZ ARG A 8 3.221 14.478 3.350 1.00 0.00 C ATOM 104 NH1 ARG A 8 3.495 14.314 2.067 1.00 0.00 N ATOM 105 NH2 ARG A 8 3.998 15.277 4.068 1.00 0.00 N ATOM 0 H ARG A 8 -3.351 14.830 4.345 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.064 14.598 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.344 15.167 3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.775 13.646 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.299 12.651 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.635 14.120 1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.961 12.115 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.020 12.236 2.526 1.00 0.00 H new ATOM 0 HE ARG A 8 1.937 14.049 4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.918 13.695 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.283 14.806 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.813 15.410 5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.781 15.759 3.626 1.00 0.00 H new ATOM 119 N PRO A 9 -4.042 12.814 2.089 1.00 0.00 N ATOM 120 CA PRO A 9 -4.733 11.545 1.963 1.00 0.00 C ATOM 121 C PRO A 9 -3.974 10.639 0.975 1.00 0.00 C ATOM 122 O PRO A 9 -4.377 10.442 -0.176 1.00 0.00 O ATOM 123 CB PRO A 9 -6.151 11.918 1.545 1.00 0.00 C ATOM 124 CG PRO A 9 -5.978 13.220 0.772 1.00 0.00 C ATOM 125 CD PRO A 9 -4.807 13.885 1.485 1.00 0.00 C ATOM 0 HA PRO A 9 -4.776 10.957 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.601 11.143 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.800 12.051 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.760 13.039 -0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.877 13.835 0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.196 14.453 0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.159 14.587 2.241 1.00 0.00 H new ATOM 133 N GLY A 10 -2.830 10.134 1.437 1.00 0.00 N ATOM 134 CA GLY A 10 -1.800 9.441 0.674 1.00 0.00 C ATOM 135 C GLY A 10 -1.410 8.084 1.265 1.00 0.00 C ATOM 136 O GLY A 10 -0.222 7.787 1.390 1.00 0.00 O ATOM 0 H GLY A 10 -2.585 10.205 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.152 9.296 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.913 10.073 0.619 1.00 0.00 H new ATOM 140 N LYS A 11 -2.388 7.261 1.645 1.00 0.00 N ATOM 141 CA LYS A 11 -2.205 5.921 2.203 1.00 0.00 C ATOM 142 C LYS A 11 -3.027 4.917 1.404 1.00 0.00 C ATOM 143 O LYS A 11 -4.082 5.287 0.877 1.00 0.00 O ATOM 144 CB LYS A 11 -2.764 5.879 3.607 1.00 0.00 C ATOM 145 CG LYS A 11 -1.969 6.671 4.645 1.00 0.00 C ATOM 146 CD LYS A 11 -2.553 6.308 6.012 1.00 0.00 C ATOM 147 CE LYS A 11 -2.451 7.430 7.052 1.00 0.00 C ATOM 148 NZ LYS A 11 -1.068 7.644 7.529 1.00 0.00 N ATOM 0 H LYS A 11 -3.371 7.521 1.569 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.141 5.685 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.785 6.260 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.818 4.839 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.910 6.419 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.050 7.742 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.601 6.037 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.038 5.426 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.829 8.356 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.091 7.191 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.057 8.413 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.713 6.771 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.459 7.899 6.725 1.00 0.00 H new ATOM 162 N LEU A 12 -2.635 3.644 1.438 1.00 0.00 N ATOM 163 CA LEU A 12 -3.424 2.523 0.923 1.00 0.00 C ATOM 164 C LEU A 12 -3.192 1.263 1.754 1.00 0.00 C ATOM 165 O LEU A 12 -2.256 1.196 2.551 1.00 0.00 O ATOM 166 CB LEU A 12 -3.058 2.228 -0.540 1.00 0.00 C ATOM 167 CG LEU A 12 -3.559 3.281 -1.538 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.953 2.964 -2.893 1.00 0.00 C ATOM 169 CD2 LEU A 12 -5.090 3.314 -1.618 1.00 0.00 C ATOM 0 H LEU A 12 -1.740 3.356 1.833 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.474 2.807 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.974 2.151 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.468 1.257 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.250 4.271 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.292 3.698 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.866 2.998 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.265 1.968 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.401 4.073 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.459 2.339 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.501 3.553 -0.637 1.00 0.00 H new ATOM 181 N PHE A 13 -4.052 0.263 1.559 1.00 0.00 N ATOM 182 CA PHE A 13 -4.117 -0.977 2.316 1.00 0.00 C ATOM 183 C PHE A 13 -4.046 -2.151 1.336 1.00 0.00 C ATOM 184 O PHE A 13 -4.849 -2.212 0.403 1.00 0.00 O ATOM 185 CB PHE A 13 -5.429 -0.960 3.115 1.00 0.00 C ATOM 186 CG PHE A 13 -5.544 -2.072 4.137 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.032 -1.891 5.435 1.00 0.00 C ATOM 188 CD2 PHE A 13 -6.160 -3.289 3.799 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.082 -2.941 6.370 1.00 0.00 C ATOM 190 CE2 PHE A 13 -6.220 -4.333 4.737 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.667 -4.169 6.018 1.00 0.00 C ATOM 0 H PHE A 13 -4.760 0.304 0.826 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.286 -1.082 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.519 -0.001 3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.266 -1.031 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.599 -0.942 5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.588 -3.422 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.670 -2.803 7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.694 -5.267 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.691 -4.982 6.728 1.00 0.00 H new ATOM 201 N ILE A 14 -3.086 -3.068 1.501 1.00 0.00 N ATOM 202 CA ILE A 14 -2.817 -4.129 0.536 1.00 0.00 C ATOM 203 C ILE A 14 -2.946 -5.482 1.244 1.00 0.00 C ATOM 204 O ILE A 14 -2.567 -5.610 2.408 1.00 0.00 O ATOM 205 CB ILE A 14 -1.455 -3.920 -0.165 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.268 -2.508 -0.768 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.321 -4.920 -1.327 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.714 -1.451 0.189 1.00 0.00 C ATOM 0 H ILE A 14 -2.472 -3.091 2.315 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.552 -4.104 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.701 -4.063 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.599 -2.584 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.231 -2.163 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.361 -4.775 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.379 -5.937 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.127 -4.757 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.622 -0.499 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.391 -1.336 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.266 -1.764 0.548 1.00 0.00 H new ATOM 220 N GLY A 15 -3.495 -6.494 0.561 1.00 0.00 N ATOM 221 CA GLY A 15 -3.986 -7.713 1.195 1.00 0.00 C ATOM 222 C GLY A 15 -4.256 -8.835 0.203 1.00 0.00 C ATOM 223 O GLY A 15 -5.397 -9.194 -0.053 1.00 0.00 O ATOM 0 H GLY A 15 -3.609 -6.485 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.256 -8.053 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.904 -7.488 1.739 1.00 0.00 H new ATOM 227 N GLY A 16 -3.197 -9.406 -0.354 1.00 0.00 N ATOM 228 CA GLY A 16 -3.237 -10.687 -1.054 1.00 0.00 C ATOM 229 C GLY A 16 -1.868 -11.020 -1.635 1.00 0.00 C ATOM 230 O GLY A 16 -1.735 -11.488 -2.768 1.00 0.00 O ATOM 0 H GLY A 16 -2.268 -8.986 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.548 -11.474 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.978 -10.649 -1.852 1.00 0.00 H new ATOM 234 N LEU A 17 -0.835 -10.632 -0.892 1.00 0.00 N ATOM 235 CA LEU A 17 0.527 -10.512 -1.372 1.00 0.00 C ATOM 236 C LEU A 17 1.202 -11.877 -1.406 1.00 0.00 C ATOM 237 O LEU A 17 0.694 -12.857 -0.847 1.00 0.00 O ATOM 238 CB LEU A 17 1.285 -9.503 -0.502 1.00 0.00 C ATOM 239 CG LEU A 17 0.712 -8.079 -0.635 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.354 -7.127 0.365 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.861 -7.543 -2.065 1.00 0.00 C ATOM 0 H LEU A 17 -0.933 -10.386 0.093 1.00 0.00 H new ATOM 0 HA LEU A 17 0.530 -10.137 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.238 -9.817 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.337 -9.498 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.353 -8.139 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.928 -6.131 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.166 -7.482 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.429 -7.085 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.446 -6.537 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.917 -7.516 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.326 -8.195 -2.756 1.00 0.00 H new ATOM 253 N ASN A 18 2.313 -11.955 -2.139 1.00 0.00 N ATOM 254 CA ASN A 18 3.057 -13.196 -2.287 1.00 0.00 C ATOM 255 C ASN A 18 3.915 -13.404 -1.042 1.00 0.00 C ATOM 256 O ASN A 18 4.184 -12.458 -0.307 1.00 0.00 O ATOM 257 CB ASN A 18 3.912 -13.156 -3.560 1.00 0.00 C ATOM 258 CG ASN A 18 4.286 -14.546 -4.050 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.778 -15.559 -3.570 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.155 -14.624 -5.035 1.00 0.00 N ATOM 0 H ASN A 18 2.716 -11.164 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 18 2.370 -14.036 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.367 -12.632 -4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.820 -12.585 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.417 -15.534 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.566 -13.774 -5.421 1.00 0.00 H new ATOM 267 N THR A 19 4.352 -14.631 -0.781 1.00 0.00 N ATOM 268 CA THR A 19 4.943 -14.953 0.519 1.00 0.00 C ATOM 269 C THR A 19 6.407 -14.515 0.644 1.00 0.00 C ATOM 270 O THR A 19 6.937 -14.506 1.756 1.00 0.00 O ATOM 271 CB THR A 19 4.737 -16.448 0.832 1.00 0.00 C ATOM 272 OG1 THR A 19 4.688 -17.207 -0.368 1.00 0.00 O ATOM 273 CG2 THR A 19 3.426 -16.627 1.600 1.00 0.00 C ATOM 0 H THR A 19 4.311 -15.410 -1.438 1.00 0.00 H new ATOM 0 HA THR A 19 4.419 -14.370 1.276 1.00 0.00 H new ATOM 0 HB THR A 19 5.574 -16.800 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.559 -18.154 -0.151 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.276 -17.683 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.470 -16.062 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.596 -16.263 0.993 1.00 0.00 H new ATOM 281 N GLU A 20 7.046 -14.127 -0.463 1.00 0.00 N ATOM 282 CA GLU A 20 8.493 -13.956 -0.552 1.00 0.00 C ATOM 283 C GLU A 20 8.857 -12.712 -1.385 1.00 0.00 C ATOM 284 O GLU A 20 9.971 -12.601 -1.907 1.00 0.00 O ATOM 285 CB GLU A 20 9.071 -15.272 -1.101 1.00 0.00 C ATOM 286 CG GLU A 20 10.525 -15.474 -0.647 1.00 0.00 C ATOM 287 CD GLU A 20 11.088 -16.844 -1.023 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.305 -17.825 -1.117 1.00 0.00 O ATOM 289 OE2 GLU A 20 12.323 -16.924 -1.212 1.00 0.00 O ATOM 0 H GLU A 20 6.561 -13.920 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 20 8.936 -13.763 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.462 -16.109 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.025 -15.266 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.149 -14.698 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.582 -15.349 0.434 1.00 0.00 H new ATOM 296 N THR A 21 7.920 -11.764 -1.502 1.00 0.00 N ATOM 297 CA THR A 21 8.206 -10.413 -1.957 1.00 0.00 C ATOM 298 C THR A 21 9.123 -9.725 -0.921 1.00 0.00 C ATOM 299 O THR A 21 9.387 -10.249 0.166 1.00 0.00 O ATOM 300 CB THR A 21 6.850 -9.697 -2.155 1.00 0.00 C ATOM 301 OG1 THR A 21 6.041 -10.396 -3.085 1.00 0.00 O ATOM 302 CG2 THR A 21 7.015 -8.257 -2.645 1.00 0.00 C ATOM 0 H THR A 21 6.937 -11.922 -1.280 1.00 0.00 H new ATOM 0 HA THR A 21 8.740 -10.390 -2.907 1.00 0.00 H new ATOM 0 HB THR A 21 6.372 -9.679 -1.175 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.188 -9.927 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.033 -7.800 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.592 -7.688 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.538 -8.256 -3.601 1.00 0.00 H new ATOM 310 N ASN A 22 9.614 -8.533 -1.230 1.00 0.00 N ATOM 311 CA ASN A 22 10.350 -7.677 -0.322 1.00 0.00 C ATOM 312 C ASN A 22 10.076 -6.225 -0.715 1.00 0.00 C ATOM 313 O ASN A 22 9.346 -5.954 -1.665 1.00 0.00 O ATOM 314 CB ASN A 22 11.841 -8.034 -0.339 1.00 0.00 C ATOM 315 CG ASN A 22 12.337 -8.178 -1.753 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.490 -7.179 -2.431 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.519 -9.387 -2.236 1.00 0.00 N ATOM 0 H ASN A 22 9.504 -8.123 -2.158 1.00 0.00 H new ATOM 0 HA ASN A 22 10.022 -7.822 0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.411 -7.260 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.004 -8.964 0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.798 -9.511 -3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.381 -10.201 -1.637 1.00 0.00 H new ATOM 324 N GLU A 23 10.614 -5.283 0.049 1.00 0.00 N ATOM 325 CA GLU A 23 10.211 -3.870 -0.021 1.00 0.00 C ATOM 326 C GLU A 23 10.688 -3.239 -1.334 1.00 0.00 C ATOM 327 O GLU A 23 9.911 -2.597 -2.034 1.00 0.00 O ATOM 328 CB GLU A 23 10.755 -3.103 1.197 1.00 0.00 C ATOM 329 CG GLU A 23 10.234 -3.697 2.516 1.00 0.00 C ATOM 330 CD GLU A 23 11.099 -3.417 3.746 1.00 0.00 C ATOM 331 OE1 GLU A 23 12.138 -2.717 3.641 1.00 0.00 O ATOM 332 OE2 GLU A 23 10.776 -3.983 4.810 1.00 0.00 O ATOM 0 H GLU A 23 11.343 -5.469 0.738 1.00 0.00 H new ATOM 0 HA GLU A 23 9.123 -3.812 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.845 -3.132 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.463 -2.055 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.233 -3.308 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.139 -4.776 2.397 1.00 0.00 H new ATOM 339 N LYS A 24 11.941 -3.495 -1.720 1.00 0.00 N ATOM 340 CA LYS A 24 12.507 -3.097 -3.016 1.00 0.00 C ATOM 341 C LYS A 24 11.742 -3.710 -4.201 1.00 0.00 C ATOM 342 O LYS A 24 11.746 -3.140 -5.295 1.00 0.00 O ATOM 343 CB LYS A 24 14.013 -3.428 -3.071 1.00 0.00 C ATOM 344 CG LYS A 24 14.300 -4.913 -2.805 1.00 0.00 C ATOM 345 CD LYS A 24 15.774 -5.307 -2.916 1.00 0.00 C ATOM 346 CE LYS A 24 15.964 -6.799 -2.595 1.00 0.00 C ATOM 347 NZ LYS A 24 16.378 -7.039 -1.196 1.00 0.00 N ATOM 0 H LYS A 24 12.606 -3.995 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 24 12.393 -2.017 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.406 -3.155 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.542 -2.822 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.945 -5.165 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.723 -5.513 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.137 -5.097 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.369 -4.704 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.031 -7.329 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.713 -7.217 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.491 -8.061 -1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.282 -6.559 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.653 -6.667 -0.551 1.00 0.00 H new ATOM 361 N ALA A 25 11.065 -4.846 -4.003 1.00 0.00 N ATOM 362 CA ALA A 25 10.209 -5.446 -5.015 1.00 0.00 C ATOM 363 C ALA A 25 8.819 -4.801 -5.029 1.00 0.00 C ATOM 364 O ALA A 25 8.240 -4.678 -6.104 1.00 0.00 O ATOM 365 CB ALA A 25 10.111 -6.951 -4.772 1.00 0.00 C ATOM 0 H ALA A 25 11.100 -5.372 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 25 10.653 -5.270 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.470 -7.401 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.105 -7.394 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.688 -7.133 -3.784 1.00 0.00 H new ATOM 371 N LEU A 26 8.275 -4.389 -3.876 1.00 0.00 N ATOM 372 CA LEU A 26 7.017 -3.637 -3.782 1.00 0.00 C ATOM 373 C LEU A 26 7.145 -2.251 -4.409 1.00 0.00 C ATOM 374 O LEU A 26 6.216 -1.778 -5.062 1.00 0.00 O ATOM 375 CB LEU A 26 6.573 -3.484 -2.321 1.00 0.00 C ATOM 376 CG LEU A 26 5.738 -4.646 -1.772 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.444 -4.379 -0.297 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.421 -4.808 -2.547 1.00 0.00 C ATOM 0 H LEU A 26 8.703 -4.572 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 26 6.268 -4.207 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.460 -3.368 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.995 -2.565 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 26 6.302 -5.571 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.850 -5.197 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.382 -4.303 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.890 -3.445 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.854 -5.641 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.835 -3.893 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.638 -5.005 -3.597 1.00 0.00 H new ATOM 390 N GLU A 27 8.319 -1.641 -4.295 1.00 0.00 N ATOM 391 CA GLU A 27 8.664 -0.414 -4.995 1.00 0.00 C ATOM 392 C GLU A 27 8.384 -0.575 -6.486 1.00 0.00 C ATOM 393 O GLU A 27 7.704 0.241 -7.111 1.00 0.00 O ATOM 394 CB GLU A 27 10.147 -0.126 -4.730 1.00 0.00 C ATOM 395 CG GLU A 27 10.323 0.903 -3.617 1.00 0.00 C ATOM 396 CD GLU A 27 10.289 2.337 -4.132 1.00 0.00 C ATOM 397 OE1 GLU A 27 10.838 2.611 -5.232 1.00 0.00 O ATOM 398 OE2 GLU A 27 9.690 3.200 -3.469 1.00 0.00 O ATOM 0 H GLU A 27 9.070 -1.994 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 27 8.064 0.423 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.656 -1.050 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.617 0.239 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.535 0.769 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.272 0.726 -3.110 1.00 0.00 H new ATOM 405 N ALA A 28 8.859 -1.691 -7.034 1.00 0.00 N ATOM 406 CA ALA A 28 8.660 -2.029 -8.435 1.00 0.00 C ATOM 407 C ALA A 28 7.186 -2.294 -8.775 1.00 0.00 C ATOM 408 O ALA A 28 6.821 -2.155 -9.945 1.00 0.00 O ATOM 409 CB ALA A 28 9.546 -3.223 -8.817 1.00 0.00 C ATOM 0 H ALA A 28 9.394 -2.387 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 28 8.956 -1.164 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.391 -3.470 -9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.593 -2.966 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.284 -4.083 -8.200 1.00 0.00 H new ATOM 415 N VAL A 29 6.335 -2.666 -7.814 1.00 0.00 N ATOM 416 CA VAL A 29 4.898 -2.833 -8.024 1.00 0.00 C ATOM 417 C VAL A 29 4.266 -1.455 -8.245 1.00 0.00 C ATOM 418 O VAL A 29 3.683 -1.222 -9.305 1.00 0.00 O ATOM 419 CB VAL A 29 4.255 -3.640 -6.867 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.743 -3.783 -7.001 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.831 -5.060 -6.802 1.00 0.00 C ATOM 0 H VAL A 29 6.631 -2.861 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 29 4.711 -3.425 -8.920 1.00 0.00 H new ATOM 0 HB VAL A 29 4.484 -3.072 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.356 -4.358 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.283 -2.795 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.507 -4.299 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.363 -5.605 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.632 -5.577 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.907 -5.009 -6.637 1.00 0.00 H new ATOM 431 N PHE A 30 4.384 -0.544 -7.275 1.00 0.00 N ATOM 432 CA PHE A 30 3.506 0.617 -7.199 1.00 0.00 C ATOM 433 C PHE A 30 4.163 1.897 -7.707 1.00 0.00 C ATOM 434 O PHE A 30 3.441 2.839 -8.024 1.00 0.00 O ATOM 435 CB PHE A 30 3.007 0.787 -5.762 1.00 0.00 C ATOM 436 CG PHE A 30 2.055 -0.285 -5.276 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.725 -0.297 -5.739 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.472 -1.231 -4.317 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.194 -1.226 -5.225 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.547 -2.157 -3.800 1.00 0.00 C ATOM 441 CZ PHE A 30 0.213 -2.145 -4.242 1.00 0.00 C ATOM 0 H PHE A 30 5.082 -0.592 -6.532 1.00 0.00 H new ATOM 0 HA PHE A 30 2.660 0.433 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.870 0.813 -5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.512 1.754 -5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.411 0.411 -6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.498 -1.245 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.212 -1.235 -5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.863 -2.879 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.500 -2.842 -3.826 1.00 0.00 H new ATOM 451 N GLY A 31 5.493 1.953 -7.841 1.00 0.00 N ATOM 452 CA GLY A 31 6.171 3.213 -8.120 1.00 0.00 C ATOM 453 C GLY A 31 5.766 3.840 -9.457 1.00 0.00 C ATOM 454 O GLY A 31 5.866 5.053 -9.656 1.00 0.00 O ATOM 0 H GLY A 31 6.112 1.146 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.956 3.918 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.248 3.046 -8.117 1.00 0.00 H new ATOM 458 N LYS A 32 5.264 3.014 -10.373 1.00 0.00 N ATOM 459 CA LYS A 32 4.848 3.376 -11.718 1.00 0.00 C ATOM 460 C LYS A 32 3.566 4.218 -11.775 1.00 0.00 C ATOM 461 O LYS A 32 3.124 4.515 -12.880 1.00 0.00 O ATOM 462 CB LYS A 32 4.756 2.087 -12.552 1.00 0.00 C ATOM 463 CG LYS A 32 3.583 1.177 -12.149 1.00 0.00 C ATOM 464 CD LYS A 32 3.798 -0.234 -12.705 1.00 0.00 C ATOM 465 CE LYS A 32 2.534 -1.072 -12.510 1.00 0.00 C ATOM 466 NZ LYS A 32 2.729 -2.460 -12.961 1.00 0.00 N ATOM 0 H LYS A 32 5.131 2.021 -10.182 1.00 0.00 H new ATOM 0 HA LYS A 32 5.599 4.040 -12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.655 2.351 -13.605 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.688 1.531 -12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.498 1.140 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.647 1.587 -12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.050 -0.182 -13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.640 -0.708 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.252 -1.067 -11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.709 -0.622 -13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.852 -2.999 -12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.973 -2.465 -13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.500 -2.897 -12.416 1.00 0.00 H new ATOM 480 N TYR A 33 2.973 4.594 -10.639 1.00 0.00 N ATOM 481 CA TYR A 33 1.792 5.456 -10.589 1.00 0.00 C ATOM 482 C TYR A 33 2.148 6.882 -10.180 1.00 0.00 C ATOM 483 O TYR A 33 1.547 7.832 -10.680 1.00 0.00 O ATOM 484 CB TYR A 33 0.756 4.823 -9.655 1.00 0.00 C ATOM 485 CG TYR A 33 0.188 3.575 -10.295 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.703 3.691 -11.378 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.708 2.318 -9.945 1.00 0.00 C ATOM 488 CE1 TYR A 33 -1.048 2.558 -12.131 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.388 1.184 -10.708 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.497 1.301 -11.807 1.00 0.00 C ATOM 491 OH TYR A 33 -0.800 0.212 -12.568 1.00 0.00 O ATOM 0 H TYR A 33 3.304 4.305 -9.719 1.00 0.00 H new ATOM 0 HA TYR A 33 1.361 5.536 -11.587 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.217 4.575 -8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.044 5.534 -9.448 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.122 4.654 -11.630 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.356 2.224 -9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.736 2.649 -12.959 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.816 0.225 -10.457 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.547 0.428 -13.165 1.00 0.00 H new ATOM 501 N GLY A 34 3.140 7.053 -9.309 1.00 0.00 N ATOM 502 CA GLY A 34 3.514 8.365 -8.815 1.00 0.00 C ATOM 503 C GLY A 34 4.695 8.340 -7.852 1.00 0.00 C ATOM 504 O GLY A 34 4.914 9.334 -7.173 1.00 0.00 O ATOM 0 H GLY A 34 3.700 6.289 -8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.760 9.006 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.656 8.813 -8.314 1.00 0.00 H new ATOM 508 N ARG A 35 5.485 7.259 -7.794 1.00 0.00 N ATOM 509 CA ARG A 35 6.543 7.058 -6.793 1.00 0.00 C ATOM 510 C ARG A 35 5.943 6.958 -5.387 1.00 0.00 C ATOM 511 O ARG A 35 4.722 6.930 -5.223 1.00 0.00 O ATOM 512 CB ARG A 35 7.634 8.132 -6.976 1.00 0.00 C ATOM 513 CG ARG A 35 9.062 7.670 -6.625 1.00 0.00 C ATOM 514 CD ARG A 35 10.123 8.606 -7.239 1.00 0.00 C ATOM 515 NE ARG A 35 9.981 8.697 -8.705 1.00 0.00 N ATOM 516 CZ ARG A 35 10.073 7.636 -9.512 1.00 0.00 C ATOM 517 NH1 ARG A 35 10.978 6.692 -9.279 1.00 0.00 N ATOM 518 NH2 ARG A 35 9.209 7.490 -10.509 1.00 0.00 N ATOM 0 H ARG A 35 5.405 6.485 -8.454 1.00 0.00 H new ATOM 0 HA ARG A 35 7.045 6.102 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.621 8.470 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.384 8.993 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.181 7.643 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.217 6.654 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.030 9.600 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.119 8.240 -6.991 1.00 0.00 H new ATOM 0 HE ARG A 35 9.805 9.611 -9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.607 6.775 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.044 5.884 -9.898 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.478 8.186 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.276 6.682 -11.127 1.00 0.00 H new ATOM 532 N ILE A 36 6.789 6.705 -4.396 1.00 0.00 N ATOM 533 CA ILE A 36 6.417 6.212 -3.076 1.00 0.00 C ATOM 534 C ILE A 36 7.427 6.799 -2.110 1.00 0.00 C ATOM 535 O ILE A 36 8.583 7.029 -2.473 1.00 0.00 O ATOM 536 CB ILE A 36 6.492 4.659 -3.046 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.752 3.967 -4.214 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.988 4.073 -1.718 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.985 2.455 -4.242 1.00 0.00 C ATOM 0 H ILE A 36 7.795 6.844 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 36 5.399 6.499 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 36 7.556 4.448 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.683 4.165 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.084 4.400 -5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.061 2.986 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.596 4.455 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.948 4.362 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.443 2.019 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.050 2.253 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.628 2.015 -3.311 1.00 0.00 H new ATOM 551 N VAL A 37 6.991 6.985 -0.867 1.00 0.00 N ATOM 552 CA VAL A 37 7.832 7.506 0.183 1.00 0.00 C ATOM 553 C VAL A 37 7.920 6.549 1.376 1.00 0.00 C ATOM 554 O VAL A 37 8.901 6.660 2.113 1.00 0.00 O ATOM 555 CB VAL A 37 7.349 8.931 0.477 1.00 0.00 C ATOM 556 CG1 VAL A 37 5.949 9.001 1.091 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.295 9.729 1.352 1.00 0.00 C ATOM 0 H VAL A 37 6.039 6.775 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 37 8.877 7.576 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 37 7.318 9.382 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.681 10.043 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.229 8.553 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.938 8.457 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.886 10.726 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.417 9.225 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.264 9.811 0.860 1.00 0.00 H new ATOM 567 N GLU A 38 7.019 5.566 1.539 1.00 0.00 N ATOM 568 CA GLU A 38 7.120 4.602 2.649 1.00 0.00 C ATOM 569 C GLU A 38 6.632 3.200 2.239 1.00 0.00 C ATOM 570 O GLU A 38 5.603 3.087 1.563 1.00 0.00 O ATOM 571 CB GLU A 38 6.346 5.141 3.876 1.00 0.00 C ATOM 572 CG GLU A 38 7.222 5.158 5.130 1.00 0.00 C ATOM 573 CD GLU A 38 6.441 5.155 6.450 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.956 4.083 6.848 1.00 0.00 O ATOM 575 OE2 GLU A 38 6.380 6.206 7.146 1.00 0.00 O ATOM 0 H GLU A 38 6.220 5.418 0.923 1.00 0.00 H new ATOM 0 HA GLU A 38 8.171 4.493 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.988 6.149 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.467 4.521 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.881 4.290 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.859 6.042 5.101 1.00 0.00 H new ATOM 582 N VAL A 39 7.344 2.141 2.669 1.00 0.00 N ATOM 583 CA VAL A 39 7.105 0.738 2.320 1.00 0.00 C ATOM 584 C VAL A 39 7.115 -0.121 3.592 1.00 0.00 C ATOM 585 O VAL A 39 8.180 -0.537 4.063 1.00 0.00 O ATOM 586 CB VAL A 39 8.115 0.215 1.259 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.556 -1.081 0.664 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.362 1.229 0.129 1.00 0.00 C ATOM 0 H VAL A 39 8.138 2.252 3.299 1.00 0.00 H new ATOM 0 HA VAL A 39 6.121 0.664 1.858 1.00 0.00 H new ATOM 0 HB VAL A 39 9.072 0.048 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.249 -1.467 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.429 -1.819 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.592 -0.881 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.074 0.813 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.422 1.443 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.765 2.151 0.549 1.00 0.00 H new ATOM 598 N LEU A 40 5.935 -0.394 4.154 1.00 0.00 N ATOM 599 CA LEU A 40 5.766 -1.163 5.382 1.00 0.00 C ATOM 600 C LEU A 40 5.288 -2.576 5.026 1.00 0.00 C ATOM 601 O LEU A 40 4.155 -2.752 4.578 1.00 0.00 O ATOM 602 CB LEU A 40 4.765 -0.426 6.278 1.00 0.00 C ATOM 603 CG LEU A 40 4.755 -0.946 7.723 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.958 -0.368 8.474 1.00 0.00 C ATOM 605 CD2 LEU A 40 3.459 -0.537 8.431 1.00 0.00 C ATOM 0 H LEU A 40 5.051 -0.077 3.755 1.00 0.00 H new ATOM 0 HA LEU A 40 6.707 -1.259 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.004 0.637 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.765 -0.526 5.855 1.00 0.00 H new ATOM 0 HG LEU A 40 4.814 -2.034 7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.956 -0.734 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.879 -0.678 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.897 0.720 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.469 -0.914 9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.380 0.550 8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.605 -0.956 7.898 1.00 0.00 H new ATOM 617 N LEU A 41 6.150 -3.585 5.148 1.00 0.00 N ATOM 618 CA LEU A 41 5.904 -4.957 4.702 1.00 0.00 C ATOM 619 C LEU A 41 5.675 -5.843 5.928 1.00 0.00 C ATOM 620 O LEU A 41 6.601 -6.056 6.713 1.00 0.00 O ATOM 621 CB LEU A 41 7.107 -5.423 3.859 1.00 0.00 C ATOM 622 CG LEU A 41 7.016 -6.894 3.409 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.858 -7.140 2.441 1.00 0.00 C ATOM 624 CD2 LEU A 41 8.302 -7.299 2.687 1.00 0.00 C ATOM 0 H LEU A 41 7.069 -3.466 5.574 1.00 0.00 H new ATOM 0 HA LEU A 41 5.012 -5.019 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.190 -4.787 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.020 -5.285 4.438 1.00 0.00 H new ATOM 0 HG LEU A 41 6.857 -7.482 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.840 -8.192 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.917 -6.879 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.991 -6.525 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.230 -8.340 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.444 -6.664 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.150 -7.182 3.361 1.00 0.00 H new ATOM 636 N MET A 42 4.449 -6.333 6.136 1.00 0.00 N ATOM 637 CA MET A 42 4.088 -7.078 7.343 1.00 0.00 C ATOM 638 C MET A 42 4.465 -8.549 7.189 1.00 0.00 C ATOM 639 O MET A 42 3.760 -9.351 6.570 1.00 0.00 O ATOM 640 CB MET A 42 2.616 -6.872 7.714 1.00 0.00 C ATOM 641 CG MET A 42 2.278 -5.382 7.842 1.00 0.00 C ATOM 642 SD MET A 42 3.376 -4.371 8.885 1.00 0.00 S ATOM 643 CE MET A 42 2.980 -5.058 10.512 1.00 0.00 C ATOM 0 H MET A 42 3.681 -6.224 5.473 1.00 0.00 H new ATOM 0 HA MET A 42 4.662 -6.685 8.182 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.980 -7.328 6.955 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.402 -7.378 8.655 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.269 -4.950 6.841 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.265 -5.297 8.235 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.569 -4.549 11.275 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.919 -4.917 10.718 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.214 -6.123 10.524 1.00 0.00 H new ATOM 653 N LYS A 43 5.622 -8.901 7.746 1.00 0.00 N ATOM 654 CA LYS A 43 6.164 -10.247 7.675 1.00 0.00 C ATOM 655 C LYS A 43 5.564 -11.074 8.789 1.00 0.00 C ATOM 656 O LYS A 43 4.960 -10.557 9.732 1.00 0.00 O ATOM 657 CB LYS A 43 7.691 -10.231 7.775 1.00 0.00 C ATOM 658 CG LYS A 43 8.319 -9.556 6.552 1.00 0.00 C ATOM 659 CD LYS A 43 9.803 -9.258 6.792 1.00 0.00 C ATOM 660 CE LYS A 43 10.166 -7.930 6.123 1.00 0.00 C ATOM 661 NZ LYS A 43 11.449 -7.407 6.631 1.00 0.00 N ATOM 0 H LYS A 43 6.212 -8.250 8.264 1.00 0.00 H new ATOM 0 HA LYS A 43 5.906 -10.688 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.993 -9.704 8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.063 -11.252 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.210 -10.201 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.789 -8.629 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.007 -9.208 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.417 -10.062 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.229 -8.069 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.376 -7.201 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.668 -6.507 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.379 -7.252 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.206 -8.093 6.435 1.00 0.00 H new ATOM 675 N ASP A 44 5.735 -12.375 8.661 1.00 0.00 N ATOM 676 CA ASP A 44 5.325 -13.353 9.633 1.00 0.00 C ATOM 677 C ASP A 44 6.457 -13.572 10.613 1.00 0.00 C ATOM 678 O ASP A 44 7.628 -13.445 10.250 1.00 0.00 O ATOM 679 CB ASP A 44 4.958 -14.692 8.973 1.00 0.00 C ATOM 680 CG ASP A 44 3.850 -15.385 9.777 1.00 0.00 C ATOM 681 OD1 ASP A 44 3.660 -14.996 10.958 1.00 0.00 O ATOM 682 OD2 ASP A 44 3.185 -16.283 9.233 1.00 0.00 O ATOM 0 H ASP A 44 6.181 -12.790 7.843 1.00 0.00 H new ATOM 0 HA ASP A 44 4.438 -12.978 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.625 -14.523 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.837 -15.334 8.920 1.00 0.00 H new ATOM 687 N ARG A 45 6.126 -13.986 11.831 1.00 0.00 N ATOM 688 CA ARG A 45 7.121 -14.401 12.815 1.00 0.00 C ATOM 689 C ARG A 45 7.598 -15.832 12.571 1.00 0.00 C ATOM 690 O ARG A 45 8.434 -16.330 13.317 1.00 0.00 O ATOM 691 CB ARG A 45 6.604 -14.151 14.237 1.00 0.00 C ATOM 692 CG ARG A 45 5.673 -15.211 14.839 1.00 0.00 C ATOM 693 CD ARG A 45 4.335 -15.351 14.102 1.00 0.00 C ATOM 694 NE ARG A 45 3.307 -15.981 14.945 1.00 0.00 N ATOM 695 CZ ARG A 45 2.590 -15.366 15.899 1.00 0.00 C ATOM 696 NH1 ARG A 45 2.864 -14.113 16.269 1.00 0.00 N ATOM 697 NH2 ARG A 45 1.583 -15.997 16.495 1.00 0.00 N ATOM 0 H ARG A 45 5.164 -14.044 12.164 1.00 0.00 H new ATOM 0 HA ARG A 45 8.012 -13.784 12.697 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.466 -14.044 14.896 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.078 -13.196 14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.183 -16.174 14.833 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.478 -14.960 15.882 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.991 -14.367 13.785 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.478 -15.945 13.199 1.00 0.00 H new ATOM 0 HE ARG A 45 3.123 -16.972 14.791 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.630 -13.606 15.825 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.308 -13.663 16.996 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.351 -16.954 16.228 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.042 -15.524 17.219 1.00 0.00 H new ATOM 711 N GLU A 46 7.075 -16.500 11.541 1.00 0.00 N ATOM 712 CA GLU A 46 7.519 -17.812 11.103 1.00 0.00 C ATOM 713 C GLU A 46 8.995 -17.723 10.706 1.00 0.00 C ATOM 714 O GLU A 46 9.879 -18.170 11.434 1.00 0.00 O ATOM 715 CB GLU A 46 6.667 -18.291 9.909 1.00 0.00 C ATOM 716 CG GLU A 46 5.181 -18.509 10.188 1.00 0.00 C ATOM 717 CD GLU A 46 4.878 -19.850 10.838 1.00 0.00 C ATOM 718 OE1 GLU A 46 5.041 -20.895 10.162 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.418 -19.859 12.004 1.00 0.00 O ATOM 0 H GLU A 46 6.311 -16.128 10.977 1.00 0.00 H new ATOM 0 HA GLU A 46 7.401 -18.532 11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.762 -17.561 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.088 -19.227 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.820 -17.710 10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.628 -18.435 9.251 1.00 0.00 H new ATOM 726 N THR A 47 9.263 -17.174 9.523 1.00 0.00 N ATOM 727 CA THR A 47 10.466 -17.515 8.762 1.00 0.00 C ATOM 728 C THR A 47 10.705 -16.427 7.700 1.00 0.00 C ATOM 729 O THR A 47 11.038 -16.692 6.544 1.00 0.00 O ATOM 730 CB THR A 47 10.273 -18.963 8.239 1.00 0.00 C ATOM 731 OG1 THR A 47 11.438 -19.576 7.736 1.00 0.00 O ATOM 732 CG2 THR A 47 9.201 -19.082 7.163 1.00 0.00 C ATOM 0 H THR A 47 8.661 -16.488 9.068 1.00 0.00 H new ATOM 0 HA THR A 47 11.384 -17.523 9.350 1.00 0.00 H new ATOM 0 HB THR A 47 9.965 -19.487 9.144 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.225 -20.483 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.120 -20.121 6.844 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.244 -18.750 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.472 -18.460 6.310 1.00 0.00 H new ATOM 740 N ASN A 48 10.435 -15.170 8.072 1.00 0.00 N ATOM 741 CA ASN A 48 10.479 -13.995 7.201 1.00 0.00 C ATOM 742 C ASN A 48 9.528 -14.100 5.995 1.00 0.00 C ATOM 743 O ASN A 48 9.629 -13.291 5.068 1.00 0.00 O ATOM 744 CB ASN A 48 11.933 -13.661 6.808 1.00 0.00 C ATOM 745 CG ASN A 48 12.787 -13.331 8.025 1.00 0.00 C ATOM 746 OD1 ASN A 48 12.805 -12.192 8.477 1.00 0.00 O ATOM 747 ND2 ASN A 48 13.495 -14.286 8.610 1.00 0.00 N ATOM 0 H ASN A 48 10.169 -14.937 9.029 1.00 0.00 H new ATOM 0 HA ASN A 48 10.098 -13.149 7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.369 -14.507 6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.938 -12.815 6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.054 -14.073 9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.481 -15.234 8.235 1.00 0.00 H new ATOM 754 N LYS A 49 8.587 -15.061 5.988 1.00 0.00 N ATOM 755 CA LYS A 49 7.480 -15.107 5.028 1.00 0.00 C ATOM 756 C LYS A 49 6.641 -13.850 5.215 1.00 0.00 C ATOM 757 O LYS A 49 6.672 -13.263 6.292 1.00 0.00 O ATOM 758 CB LYS A 49 6.611 -16.362 5.259 1.00 0.00 C ATOM 759 CG LYS A 49 7.222 -17.628 4.641 1.00 0.00 C ATOM 760 CD LYS A 49 6.545 -18.918 5.145 1.00 0.00 C ATOM 761 CE LYS A 49 7.227 -20.139 4.515 1.00 0.00 C ATOM 762 NZ LYS A 49 6.631 -21.431 4.927 1.00 0.00 N ATOM 0 H LYS A 49 8.577 -15.832 6.656 1.00 0.00 H new ATOM 0 HA LYS A 49 7.873 -15.155 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.477 -16.514 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.621 -16.197 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.135 -17.577 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.286 -17.665 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.610 -18.974 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.486 -18.908 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.174 -20.054 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.283 -20.134 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.140 -22.211 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.704 -21.534 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.630 -21.457 4.647 1.00 0.00 H new ATOM 776 N SER A 50 5.853 -13.452 4.227 1.00 0.00 N ATOM 777 CA SER A 50 4.868 -12.400 4.423 1.00 0.00 C ATOM 778 C SER A 50 3.640 -12.983 5.125 1.00 0.00 C ATOM 779 O SER A 50 3.353 -14.183 5.018 1.00 0.00 O ATOM 780 CB SER A 50 4.565 -11.763 3.073 1.00 0.00 C ATOM 781 OG SER A 50 3.582 -10.753 3.126 1.00 0.00 O ATOM 0 H SER A 50 5.877 -13.841 3.284 1.00 0.00 H new ATOM 0 HA SER A 50 5.242 -11.608 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.484 -11.341 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.238 -12.539 2.381 1.00 0.00 H new ATOM 0 HG SER A 50 3.532 -10.392 4.036 1.00 0.00 H new ATOM 787 N ARG A 51 2.880 -12.120 5.806 1.00 0.00 N ATOM 788 CA ARG A 51 1.515 -12.431 6.237 1.00 0.00 C ATOM 789 C ARG A 51 0.511 -12.126 5.120 1.00 0.00 C ATOM 790 O ARG A 51 -0.688 -12.298 5.312 1.00 0.00 O ATOM 791 CB ARG A 51 1.178 -11.700 7.550 1.00 0.00 C ATOM 792 CG ARG A 51 2.053 -12.232 8.695 1.00 0.00 C ATOM 793 CD ARG A 51 1.822 -11.542 10.047 1.00 0.00 C ATOM 794 NE ARG A 51 0.549 -11.943 10.676 1.00 0.00 N ATOM 795 CZ ARG A 51 0.212 -13.134 11.201 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.079 -14.132 11.356 1.00 0.00 N ATOM 797 NH2 ARG A 51 -1.048 -13.321 11.579 1.00 0.00 N ATOM 0 H ARG A 51 3.194 -11.187 6.073 1.00 0.00 H new ATOM 0 HA ARG A 51 1.445 -13.499 6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.337 -10.628 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.125 -11.840 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.868 -13.300 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.101 -12.118 8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.647 -11.781 10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.829 -10.461 9.906 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.171 -11.221 10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.051 -14.012 11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.771 -15.017 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.731 -12.571 11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.333 -14.214 11.981 1.00 0.00 H new ATOM 811 N GLY A 52 0.968 -11.695 3.943 1.00 0.00 N ATOM 812 CA GLY A 52 0.128 -11.527 2.771 1.00 0.00 C ATOM 813 C GLY A 52 -0.579 -10.175 2.741 1.00 0.00 C ATOM 814 O GLY A 52 -1.368 -9.941 1.825 1.00 0.00 O ATOM 0 H GLY A 52 1.945 -11.452 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.738 -11.633 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.617 -12.322 2.746 1.00 0.00 H new ATOM 818 N PHE A 53 -0.305 -9.269 3.683 1.00 0.00 N ATOM 819 CA PHE A 53 -0.863 -7.930 3.724 1.00 0.00 C ATOM 820 C PHE A 53 0.287 -6.962 3.995 1.00 0.00 C ATOM 821 O PHE A 53 1.335 -7.371 4.500 1.00 0.00 O ATOM 822 CB PHE A 53 -1.987 -7.853 4.772 1.00 0.00 C ATOM 823 CG PHE A 53 -1.539 -7.692 6.212 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.132 -8.810 6.967 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.543 -6.414 6.803 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.718 -8.644 8.300 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.140 -6.255 8.138 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.718 -7.367 8.885 1.00 0.00 C ATOM 0 H PHE A 53 0.331 -9.460 4.457 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.327 -7.657 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.637 -7.016 4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.589 -8.759 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.138 -9.794 6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.857 -5.555 6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.399 -9.500 8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.154 -5.275 8.592 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.394 -7.240 9.907 1.00 0.00 H new ATOM 838 N ALA A 54 0.113 -5.703 3.610 1.00 0.00 N ATOM 839 CA ALA A 54 1.118 -4.664 3.748 1.00 0.00 C ATOM 840 C ALA A 54 0.470 -3.281 3.630 1.00 0.00 C ATOM 841 O ALA A 54 -0.745 -3.156 3.414 1.00 0.00 O ATOM 842 CB ALA A 54 2.202 -4.866 2.683 1.00 0.00 C ATOM 0 H ALA A 54 -0.752 -5.372 3.184 1.00 0.00 H new ATOM 0 HA ALA A 54 1.581 -4.727 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.959 -4.088 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.666 -5.843 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.753 -4.810 1.691 1.00 0.00 H new ATOM 848 N PHE A 55 1.284 -2.235 3.752 1.00 0.00 N ATOM 849 CA PHE A 55 0.873 -0.844 3.778 1.00 0.00 C ATOM 850 C PHE A 55 1.892 -0.032 2.984 1.00 0.00 C ATOM 851 O PHE A 55 3.099 -0.183 3.191 1.00 0.00 O ATOM 852 CB PHE A 55 0.802 -0.411 5.246 1.00 0.00 C ATOM 853 CG PHE A 55 0.543 1.057 5.470 1.00 0.00 C ATOM 854 CD1 PHE A 55 -0.754 1.563 5.277 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.585 1.918 5.866 1.00 0.00 C ATOM 856 CE1 PHE A 55 -1.015 2.923 5.487 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.324 3.285 6.062 1.00 0.00 C ATOM 858 CZ PHE A 55 0.027 3.779 5.878 1.00 0.00 C ATOM 0 H PHE A 55 2.294 -2.346 3.839 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.106 -0.688 3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.015 -0.982 5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.741 -0.676 5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.550 0.903 4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.581 1.529 6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.013 3.311 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.121 3.952 6.354 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.174 4.828 6.038 1.00 0.00 H new ATOM 868 N VAL A 56 1.431 0.798 2.055 1.00 0.00 N ATOM 869 CA VAL A 56 2.293 1.638 1.234 1.00 0.00 C ATOM 870 C VAL A 56 1.789 3.063 1.407 1.00 0.00 C ATOM 871 O VAL A 56 0.581 3.306 1.502 1.00 0.00 O ATOM 872 CB VAL A 56 2.316 1.160 -0.236 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.290 1.984 -1.086 1.00 0.00 C ATOM 874 CG2 VAL A 56 2.774 -0.300 -0.368 1.00 0.00 C ATOM 0 H VAL A 56 0.438 0.907 1.849 1.00 0.00 H new ATOM 0 HA VAL A 56 3.335 1.580 1.548 1.00 0.00 H new ATOM 0 HB VAL A 56 1.289 1.276 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.277 1.617 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.989 3.032 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.297 1.890 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.773 -0.588 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.781 -0.403 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.093 -0.946 0.186 1.00 0.00 H new ATOM 884 N THR A 57 2.727 4.001 1.456 1.00 0.00 N ATOM 885 CA THR A 57 2.445 5.397 1.701 1.00 0.00 C ATOM 886 C THR A 57 3.111 6.203 0.606 1.00 0.00 C ATOM 887 O THR A 57 4.267 5.960 0.241 1.00 0.00 O ATOM 888 CB THR A 57 2.995 5.821 3.060 1.00 0.00 C ATOM 889 OG1 THR A 57 2.823 4.836 4.049 1.00 0.00 O ATOM 890 CG2 THR A 57 2.264 7.043 3.591 1.00 0.00 C ATOM 0 H THR A 57 3.719 3.803 1.324 1.00 0.00 H new ATOM 0 HA THR A 57 1.368 5.566 1.704 1.00 0.00 H new ATOM 0 HB THR A 57 4.053 6.012 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.887 4.823 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.677 7.322 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.385 7.871 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.204 6.814 3.701 1.00 0.00 H new ATOM 898 N PHE A 58 2.387 7.188 0.100 1.00 0.00 N ATOM 899 CA PHE A 58 2.784 7.938 -1.065 1.00 0.00 C ATOM 900 C PHE A 58 2.849 9.403 -0.661 1.00 0.00 C ATOM 901 O PHE A 58 2.095 9.864 0.200 1.00 0.00 O ATOM 902 CB PHE A 58 1.828 7.645 -2.223 1.00 0.00 C ATOM 903 CG PHE A 58 1.500 6.168 -2.450 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.560 5.483 -1.649 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.163 5.456 -3.468 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.323 4.114 -1.850 1.00 0.00 C ATOM 907 CE2 PHE A 58 1.868 4.106 -3.720 1.00 0.00 C ATOM 908 CZ PHE A 58 0.951 3.429 -2.903 1.00 0.00 C ATOM 0 H PHE A 58 1.497 7.488 0.497 1.00 0.00 H new ATOM 0 HA PHE A 58 3.770 7.649 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.896 8.183 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.261 8.048 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.021 6.015 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.911 5.956 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.347 3.584 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.346 3.591 -4.540 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.729 2.387 -3.082 1.00 0.00 H new ATOM 918 N GLU A 59 3.844 10.097 -1.201 1.00 0.00 N ATOM 919 CA GLU A 59 4.242 11.415 -0.753 1.00 0.00 C ATOM 920 C GLU A 59 3.131 12.397 -1.131 1.00 0.00 C ATOM 921 O GLU A 59 2.579 13.058 -0.245 1.00 0.00 O ATOM 922 CB GLU A 59 5.605 11.708 -1.395 1.00 0.00 C ATOM 923 CG GLU A 59 6.632 12.620 -0.698 1.00 0.00 C ATOM 924 CD GLU A 59 6.152 13.416 0.512 1.00 0.00 C ATOM 925 OE1 GLU A 59 5.528 14.482 0.323 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.453 13.000 1.657 1.00 0.00 O ATOM 0 H GLU A 59 4.405 9.747 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 59 4.367 11.501 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.092 10.747 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.409 12.140 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.473 12.002 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.013 13.325 -1.437 1.00 0.00 H new ATOM 933 N SER A 60 2.732 12.423 -2.408 1.00 0.00 N ATOM 934 CA SER A 60 1.580 13.203 -2.827 1.00 0.00 C ATOM 935 C SER A 60 0.329 12.326 -2.676 1.00 0.00 C ATOM 936 O SER A 60 0.370 11.136 -3.004 1.00 0.00 O ATOM 937 CB SER A 60 1.720 13.608 -4.296 1.00 0.00 C ATOM 938 OG SER A 60 3.004 14.089 -4.664 1.00 0.00 O ATOM 0 H SER A 60 3.193 11.912 -3.161 1.00 0.00 H new ATOM 0 HA SER A 60 1.506 14.102 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.478 12.747 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.982 14.379 -4.517 1.00 0.00 H new ATOM 0 HG SER A 60 3.005 14.322 -5.616 1.00 0.00 H new ATOM 944 N PRO A 61 -0.833 12.886 -2.299 1.00 0.00 N ATOM 945 CA PRO A 61 -2.077 12.126 -2.279 1.00 0.00 C ATOM 946 C PRO A 61 -2.500 11.658 -3.678 1.00 0.00 C ATOM 947 O PRO A 61 -3.107 10.593 -3.798 1.00 0.00 O ATOM 948 CB PRO A 61 -3.106 13.040 -1.611 1.00 0.00 C ATOM 949 CG PRO A 61 -2.544 14.450 -1.772 1.00 0.00 C ATOM 950 CD PRO A 61 -1.032 14.239 -1.805 1.00 0.00 C ATOM 0 HA PRO A 61 -1.968 11.196 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.083 12.948 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.237 12.785 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.902 14.921 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.840 15.095 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.549 14.968 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.598 14.361 -0.813 1.00 0.00 H new ATOM 958 N ALA A 62 -2.147 12.393 -4.742 1.00 0.00 N ATOM 959 CA ALA A 62 -2.416 11.984 -6.119 1.00 0.00 C ATOM 960 C ALA A 62 -1.834 10.606 -6.436 1.00 0.00 C ATOM 961 O ALA A 62 -2.477 9.794 -7.105 1.00 0.00 O ATOM 962 CB ALA A 62 -1.843 13.020 -7.096 1.00 0.00 C ATOM 0 H ALA A 62 -1.666 13.289 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.498 11.922 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.048 12.707 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.308 13.989 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.766 13.101 -6.950 1.00 0.00 H new ATOM 968 N ASP A 63 -0.636 10.331 -5.934 1.00 0.00 N ATOM 969 CA ASP A 63 0.084 9.099 -6.213 1.00 0.00 C ATOM 970 C ASP A 63 -0.659 7.915 -5.578 1.00 0.00 C ATOM 971 O ASP A 63 -0.691 6.818 -6.140 1.00 0.00 O ATOM 972 CB ASP A 63 1.501 9.180 -5.629 1.00 0.00 C ATOM 973 CG ASP A 63 2.327 10.416 -5.985 1.00 0.00 C ATOM 974 OD1 ASP A 63 2.193 10.977 -7.100 1.00 0.00 O ATOM 975 OD2 ASP A 63 3.114 10.832 -5.112 1.00 0.00 O ATOM 0 H ASP A 63 -0.133 10.966 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 63 0.145 8.958 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.424 9.125 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.053 8.298 -5.954 1.00 0.00 H new ATOM 980 N ALA A 64 -1.297 8.144 -4.419 1.00 0.00 N ATOM 981 CA ALA A 64 -2.064 7.128 -3.697 1.00 0.00 C ATOM 982 C ALA A 64 -3.476 6.985 -4.257 1.00 0.00 C ATOM 983 O ALA A 64 -4.140 5.978 -4.001 1.00 0.00 O ATOM 984 CB ALA A 64 -2.196 7.498 -2.218 1.00 0.00 C ATOM 0 H ALA A 64 -1.292 9.052 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.521 6.190 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.770 6.729 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.204 7.573 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.708 8.456 -2.127 1.00 0.00 H new ATOM 990 N LYS A 65 -3.971 7.985 -4.990 1.00 0.00 N ATOM 991 CA LYS A 65 -5.196 7.817 -5.750 1.00 0.00 C ATOM 992 C LYS A 65 -4.906 6.772 -6.816 1.00 0.00 C ATOM 993 O LYS A 65 -5.485 5.688 -6.753 1.00 0.00 O ATOM 994 CB LYS A 65 -5.743 9.165 -6.259 1.00 0.00 C ATOM 995 CG LYS A 65 -6.473 9.886 -5.111 1.00 0.00 C ATOM 996 CD LYS A 65 -7.175 11.193 -5.524 1.00 0.00 C ATOM 997 CE LYS A 65 -6.532 12.422 -4.865 1.00 0.00 C ATOM 998 NZ LYS A 65 -7.376 13.629 -5.002 1.00 0.00 N ATOM 0 H LYS A 65 -3.543 8.907 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.018 7.450 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.927 9.784 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.425 9.002 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.214 9.209 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.754 10.108 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.135 11.300 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.228 11.142 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.360 12.218 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.558 12.608 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.906 14.435 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.520 13.839 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.297 13.462 -4.548 1.00 0.00 H new ATOM 1012 N ASP A 66 -3.974 7.043 -7.725 1.00 0.00 N ATOM 1013 CA ASP A 66 -3.787 6.204 -8.903 1.00 0.00 C ATOM 1014 C ASP A 66 -3.365 4.775 -8.575 1.00 0.00 C ATOM 1015 O ASP A 66 -3.862 3.828 -9.190 1.00 0.00 O ATOM 1016 CB ASP A 66 -2.793 6.841 -9.879 1.00 0.00 C ATOM 1017 CG ASP A 66 -3.460 7.060 -11.228 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -4.579 7.624 -11.245 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -2.840 6.740 -12.259 1.00 0.00 O ATOM 0 H ASP A 66 -3.337 7.837 -7.668 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.766 6.137 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.437 7.791 -9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.921 6.198 -9.995 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.512 4.581 -7.562 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.060 3.250 -7.163 1.00 0.00 C ATOM 1026 C ALA A 67 -3.204 2.331 -6.684 1.00 0.00 C ATOM 1027 O ALA A 67 -2.987 1.125 -6.558 1.00 0.00 O ATOM 1028 CB ALA A 67 -0.958 3.379 -6.106 1.00 0.00 C ATOM 0 H ALA A 67 -2.120 5.338 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.656 2.762 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.621 2.386 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.119 3.938 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.349 3.905 -5.235 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.425 2.850 -6.480 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.648 2.073 -6.240 1.00 0.00 C ATOM 1036 C ALA A 68 -6.812 2.514 -7.146 1.00 0.00 C ATOM 1037 O ALA A 68 -7.984 2.325 -6.803 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.024 2.210 -4.770 1.00 0.00 C ATOM 0 H ALA A 68 -4.592 3.856 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.452 1.029 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.931 1.639 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.213 1.829 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.198 3.260 -4.535 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.505 3.182 -8.255 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.450 3.548 -9.317 1.00 0.00 C ATOM 1046 C ARG A 69 -7.009 2.997 -10.673 1.00 0.00 C ATOM 1047 O ARG A 69 -7.697 3.229 -11.664 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.678 5.065 -9.345 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.350 5.570 -8.069 1.00 0.00 C ATOM 1050 CD ARG A 69 -8.282 7.089 -7.939 1.00 0.00 C ATOM 1051 NE ARG A 69 -9.446 7.753 -8.539 1.00 0.00 N ATOM 1052 CZ ARG A 69 -10.269 8.625 -7.946 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -10.204 8.851 -6.633 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -11.168 9.271 -8.675 1.00 0.00 N ATOM 0 H ARG A 69 -5.555 3.497 -8.450 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.411 3.083 -9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.722 5.572 -9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.296 5.322 -10.205 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.393 5.254 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.871 5.112 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.216 7.358 -6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.373 7.452 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.649 7.525 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.518 8.355 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.840 9.520 -6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.228 9.101 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.800 9.938 -8.232 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.905 2.254 -10.730 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.653 1.269 -11.774 1.00 0.00 C ATOM 1070 C ASP A 70 -5.158 -0.037 -11.167 1.00 0.00 C ATOM 1071 O ASP A 70 -5.685 -1.102 -11.485 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.618 1.760 -12.787 1.00 0.00 C ATOM 1073 CG ASP A 70 -4.291 0.625 -13.766 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -5.226 0.068 -14.370 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -3.108 0.180 -13.810 1.00 0.00 O ATOM 0 H ASP A 70 -5.153 2.322 -10.044 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.599 1.110 -12.291 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.003 2.624 -13.329 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.713 2.084 -12.272 1.00 0.00 H new ATOM 1080 N MET A 71 -4.124 0.011 -10.320 1.00 0.00 N ATOM 1081 CA MET A 71 -3.401 -1.206 -9.951 1.00 0.00 C ATOM 1082 C MET A 71 -4.160 -2.139 -8.999 1.00 0.00 C ATOM 1083 O MET A 71 -3.718 -3.261 -8.753 1.00 0.00 O ATOM 1084 CB MET A 71 -2.041 -0.858 -9.345 1.00 0.00 C ATOM 1085 CG MET A 71 -1.014 -1.871 -9.866 1.00 0.00 C ATOM 1086 SD MET A 71 0.302 -2.254 -8.708 1.00 0.00 S ATOM 1087 CE MET A 71 -0.635 -3.446 -7.718 1.00 0.00 C ATOM 0 H MET A 71 -3.775 0.865 -9.885 1.00 0.00 H new ATOM 0 HA MET A 71 -3.279 -1.757 -10.884 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.750 0.155 -9.621 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.090 -0.891 -8.257 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.532 -2.794 -10.127 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.572 -1.483 -10.784 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.056 -3.722 -6.836 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.579 -2.998 -7.407 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.835 -4.337 -8.314 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.275 -1.692 -8.431 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.165 -2.545 -7.666 1.00 0.00 C ATOM 1099 C ASN A 72 -6.879 -3.532 -8.598 1.00 0.00 C ATOM 1100 O ASN A 72 -6.847 -3.391 -9.820 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.167 -1.675 -6.897 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.174 -0.998 -7.816 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -7.777 -0.254 -8.705 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.457 -1.232 -7.608 1.00 0.00 N ATOM 0 H ASN A 72 -5.585 -0.722 -8.491 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.590 -3.127 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.698 -2.292 -6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.626 -0.915 -6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.159 -0.786 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.746 -1.858 -6.857 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.541 -4.544 -8.035 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.453 -5.395 -8.790 1.00 0.00 C ATOM 1113 C GLY A 73 -7.802 -6.461 -9.683 1.00 0.00 C ATOM 1114 O GLY A 73 -8.542 -7.182 -10.356 1.00 0.00 O ATOM 0 H GLY A 73 -7.459 -4.793 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.116 -5.897 -8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.077 -4.758 -9.416 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.473 -6.606 -9.695 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.733 -7.597 -10.490 1.00 0.00 C ATOM 1120 C LYS A 74 -4.981 -8.579 -9.598 1.00 0.00 C ATOM 1121 O LYS A 74 -5.171 -8.589 -8.377 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.821 -6.874 -11.501 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.695 -6.078 -10.817 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.739 -5.410 -11.808 1.00 0.00 C ATOM 1125 CE LYS A 74 -3.429 -4.262 -12.548 1.00 0.00 C ATOM 1126 NZ LYS A 74 -2.549 -3.550 -13.501 1.00 0.00 N ATOM 0 H LYS A 74 -5.859 -6.017 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.438 -8.202 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.383 -7.607 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.422 -6.197 -12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.136 -5.314 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.128 -6.747 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.865 -5.032 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.381 -6.147 -12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.290 -4.656 -13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.810 -3.548 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.084 -2.787 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.739 -3.144 -12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.205 -4.217 -14.221 1.00 0.00 H new ATOM 1140 N SER A 75 -4.140 -9.401 -10.209 1.00 0.00 N ATOM 1141 CA SER A 75 -3.240 -10.346 -9.586 1.00 0.00 C ATOM 1142 C SER A 75 -1.793 -9.863 -9.747 1.00 0.00 C ATOM 1143 O SER A 75 -1.484 -8.979 -10.553 1.00 0.00 O ATOM 1144 CB SER A 75 -3.575 -11.725 -10.166 1.00 0.00 C ATOM 1145 OG SER A 75 -3.851 -11.705 -11.558 1.00 0.00 O ATOM 0 H SER A 75 -4.068 -9.422 -11.226 1.00 0.00 H new ATOM 0 HA SER A 75 -3.361 -10.427 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.740 -12.401 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.438 -12.132 -9.639 1.00 0.00 H new ATOM 0 HG SER A 75 -4.055 -12.613 -11.864 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.913 -10.383 -8.896 1.00 0.00 N ATOM 1152 CA LEU A 76 0.531 -10.210 -8.964 1.00 0.00 C ATOM 1153 C LEU A 76 1.105 -11.355 -9.814 1.00 0.00 C ATOM 1154 O LEU A 76 0.380 -11.965 -10.601 1.00 0.00 O ATOM 1155 CB LEU A 76 1.099 -10.202 -7.531 1.00 0.00 C ATOM 1156 CG LEU A 76 2.424 -9.418 -7.435 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.150 -7.952 -7.060 1.00 0.00 C ATOM 1158 CD2 LEU A 76 3.357 -10.067 -6.413 1.00 0.00 C ATOM 0 H LEU A 76 -1.202 -10.961 -8.107 1.00 0.00 H new ATOM 0 HA LEU A 76 0.806 -9.264 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.367 -9.760 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.261 -11.228 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 76 2.913 -9.441 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.094 -7.410 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.520 -7.493 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.642 -7.912 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.287 -9.501 -6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.877 -10.072 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.573 -11.091 -6.717 1.00 0.00 H new ATOM 1170 N ASP A 77 2.375 -11.704 -9.600 1.00 0.00 N ATOM 1171 CA ASP A 77 3.083 -12.796 -10.266 1.00 0.00 C ATOM 1172 C ASP A 77 2.390 -14.153 -10.122 1.00 0.00 C ATOM 1173 O ASP A 77 2.732 -15.091 -10.838 1.00 0.00 O ATOM 1174 CB ASP A 77 4.528 -12.907 -9.725 1.00 0.00 C ATOM 1175 CG ASP A 77 5.548 -12.928 -10.863 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.422 -13.765 -11.790 1.00 0.00 O ATOM 1177 OD2 ASP A 77 6.456 -12.071 -10.850 1.00 0.00 O ATOM 0 H ASP A 77 2.963 -11.211 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 77 3.087 -12.547 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.736 -12.066 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.627 -13.814 -9.129 1.00 0.00 H new ATOM 1182 N GLY A 78 1.421 -14.300 -9.215 1.00 0.00 N ATOM 1183 CA GLY A 78 0.626 -15.516 -9.131 1.00 0.00 C ATOM 1184 C GLY A 78 -0.539 -15.490 -8.159 1.00 0.00 C ATOM 1185 O GLY A 78 -1.148 -16.539 -7.977 1.00 0.00 O ATOM 0 H GLY A 78 1.172 -13.587 -8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.238 -15.741 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.286 -16.338 -8.853 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.871 -14.373 -7.501 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.856 -14.368 -6.425 1.00 0.00 C ATOM 1191 C LYS A 79 -2.755 -13.178 -6.671 1.00 0.00 C ATOM 1192 O LYS A 79 -2.281 -12.137 -7.133 1.00 0.00 O ATOM 1193 CB LYS A 79 -1.199 -14.295 -5.029 1.00 0.00 C ATOM 1194 CG LYS A 79 0.127 -15.062 -4.855 1.00 0.00 C ATOM 1195 CD LYS A 79 -0.019 -16.566 -5.129 1.00 0.00 C ATOM 1196 CE LYS A 79 0.418 -17.490 -3.985 1.00 0.00 C ATOM 1197 NZ LYS A 79 -0.525 -17.432 -2.849 1.00 0.00 N ATOM 0 H LYS A 79 -0.466 -13.458 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.423 -15.299 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.021 -13.247 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.911 -14.673 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.875 -14.645 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.496 -14.916 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.063 -16.775 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.563 -16.814 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.486 -18.515 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.414 -17.205 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.199 -18.069 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.571 -16.459 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.470 -17.728 -3.167 1.00 0.00 H new ATOM 1211 N ALA A 80 -4.037 -13.336 -6.377 1.00 0.00 N ATOM 1212 CA ALA A 80 -5.012 -12.272 -6.515 1.00 0.00 C ATOM 1213 C ALA A 80 -4.827 -11.308 -5.340 1.00 0.00 C ATOM 1214 O ALA A 80 -5.281 -11.597 -4.233 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.416 -12.877 -6.610 1.00 0.00 C ATOM 0 H ALA A 80 -4.429 -14.213 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.871 -11.700 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.150 -12.078 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.471 -13.535 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.628 -13.449 -5.707 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.120 -10.197 -5.554 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.938 -9.160 -4.538 1.00 0.00 C ATOM 1223 C ILE A 81 -5.254 -8.431 -4.287 1.00 0.00 C ATOM 1224 O ILE A 81 -6.225 -8.600 -5.022 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.793 -8.200 -4.932 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -3.033 -7.479 -6.274 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.464 -8.965 -4.945 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.087 -6.292 -6.488 1.00 0.00 C ATOM 0 H ILE A 81 -3.657 -9.991 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.643 -9.627 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.757 -7.412 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.907 -8.190 -7.091 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.064 -7.128 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.657 -8.287 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.270 -9.373 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.520 -9.779 -5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.302 -5.824 -7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.230 -5.564 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.055 -6.643 -6.479 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.270 -7.579 -3.269 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.351 -6.646 -3.001 1.00 0.00 C ATOM 1242 C LYS A 82 -5.677 -5.342 -2.631 1.00 0.00 C ATOM 1243 O LYS A 82 -4.757 -5.382 -1.808 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.231 -7.160 -1.852 1.00 0.00 C ATOM 1245 CG LYS A 82 -7.888 -8.514 -2.162 1.00 0.00 C ATOM 1246 CD LYS A 82 -8.884 -8.962 -1.086 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.236 -8.255 -1.250 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.276 -8.842 -0.382 1.00 0.00 N ATOM 0 H LYS A 82 -4.510 -7.519 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.008 -6.523 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.625 -7.254 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.007 -6.425 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.403 -8.450 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.112 -9.272 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.026 -10.041 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.476 -8.748 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.123 -7.197 -1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.554 -8.318 -2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.173 -8.335 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.403 -9.846 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.985 -8.759 0.613 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.091 -4.223 -3.211 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.584 -2.895 -2.890 1.00 0.00 C ATOM 1264 C VAL A 83 -6.829 -2.069 -2.599 1.00 0.00 C ATOM 1265 O VAL A 83 -7.706 -1.973 -3.457 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.744 -2.315 -4.047 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.131 -0.968 -3.650 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.625 -3.257 -4.519 1.00 0.00 C ATOM 0 H VAL A 83 -6.808 -4.214 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.904 -2.903 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.436 -2.185 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.543 -0.577 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.927 -0.264 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.487 -1.103 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.074 -2.788 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.946 -3.459 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.061 -4.193 -4.868 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.941 -1.534 -1.391 1.00 0.00 N ATOM 1279 CA GLU A 84 -8.117 -0.831 -0.913 1.00 0.00 C ATOM 1280 C GLU A 84 -7.724 0.416 -0.137 1.00 0.00 C ATOM 1281 O GLU A 84 -6.555 0.645 0.194 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.998 -1.758 -0.064 1.00 0.00 C ATOM 1283 CG GLU A 84 -8.296 -2.609 0.974 1.00 0.00 C ATOM 1284 CD GLU A 84 -9.142 -2.741 2.233 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -9.130 -1.839 3.087 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -9.837 -3.783 2.333 1.00 0.00 O ATOM 0 H GLU A 84 -6.193 -1.580 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.700 -0.515 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.742 -1.146 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.539 -2.422 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.093 -3.598 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.333 -2.164 1.224 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.733 1.238 0.127 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.633 2.470 0.862 1.00 0.00 C ATOM 1295 C GLN A 85 -9.051 2.206 2.310 1.00 0.00 C ATOM 1296 O GLN A 85 -10.230 2.320 2.659 1.00 0.00 O ATOM 1297 CB GLN A 85 -9.547 3.502 0.202 1.00 0.00 C ATOM 1298 CG GLN A 85 -9.143 3.823 -1.239 1.00 0.00 C ATOM 1299 CD GLN A 85 -9.639 5.219 -1.558 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -10.774 5.441 -1.984 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -8.830 6.203 -1.207 1.00 0.00 N ATOM 0 H GLN A 85 -9.684 1.044 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.613 2.854 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.572 3.131 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.534 4.420 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.061 3.766 -1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.575 3.097 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.895 5.994 -0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.141 7.171 -1.286 1.00 0.00 H new ATOM 1310 N ALA A 86 -8.087 1.887 3.175 1.00 0.00 N ATOM 1311 CA ALA A 86 -8.314 1.888 4.617 1.00 0.00 C ATOM 1312 C ALA A 86 -8.347 3.343 5.109 1.00 0.00 C ATOM 1313 O ALA A 86 -7.493 3.765 5.892 1.00 0.00 O ATOM 1314 CB ALA A 86 -7.261 1.045 5.345 1.00 0.00 C ATOM 0 H ALA A 86 -7.141 1.625 2.899 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.274 1.424 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.457 1.065 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.307 0.017 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.269 1.453 5.149 1.00 0.00 H new ATOM 1320 N THR A 87 -9.279 4.143 4.605 1.00 0.00 N ATOM 1321 CA THR A 87 -9.549 5.497 5.053 1.00 0.00 C ATOM 1322 C THR A 87 -11.031 5.782 4.810 1.00 0.00 C ATOM 1323 O THR A 87 -11.721 5.021 4.121 1.00 0.00 O ATOM 1324 CB THR A 87 -8.618 6.498 4.336 1.00 0.00 C ATOM 1325 OG1 THR A 87 -8.753 7.782 4.913 1.00 0.00 O ATOM 1326 CG2 THR A 87 -8.866 6.568 2.825 1.00 0.00 C ATOM 0 H THR A 87 -9.890 3.851 3.842 1.00 0.00 H new ATOM 0 HA THR A 87 -9.343 5.609 6.117 1.00 0.00 H new ATOM 0 HB THR A 87 -7.599 6.136 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.158 8.411 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.182 7.288 2.377 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.699 5.586 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.894 6.880 2.639 1.00 0.00 H new ATOM 1334 N LYS A 88 -11.505 6.889 5.370 1.00 0.00 N ATOM 1335 CA LYS A 88 -12.842 7.410 5.139 1.00 0.00 C ATOM 1336 C LYS A 88 -12.803 8.289 3.883 1.00 0.00 C ATOM 1337 O LYS A 88 -11.763 8.888 3.595 1.00 0.00 O ATOM 1338 CB LYS A 88 -13.363 8.183 6.372 1.00 0.00 C ATOM 1339 CG LYS A 88 -12.307 8.979 7.174 1.00 0.00 C ATOM 1340 CD LYS A 88 -11.662 8.183 8.327 1.00 0.00 C ATOM 1341 CE LYS A 88 -12.600 7.943 9.519 1.00 0.00 C ATOM 1342 NZ LYS A 88 -12.967 9.197 10.211 1.00 0.00 N ATOM 0 H LYS A 88 -10.956 7.461 6.012 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.541 6.589 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.136 8.876 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.841 7.472 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.523 9.311 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.775 9.875 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.322 7.220 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.778 8.718 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.505 7.446 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.118 7.269 10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.487 8.973 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.105 9.727 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.568 9.774 9.588 1.00 0.00 H new ATOM 1356 N PRO A 89 -13.922 8.411 3.152 1.00 0.00 N ATOM 1357 CA PRO A 89 -14.034 9.308 2.011 1.00 0.00 C ATOM 1358 C PRO A 89 -14.330 10.759 2.424 1.00 0.00 C ATOM 1359 O PRO A 89 -14.366 11.622 1.549 1.00 0.00 O ATOM 1360 CB PRO A 89 -15.161 8.724 1.158 1.00 0.00 C ATOM 1361 CG PRO A 89 -16.086 8.095 2.195 1.00 0.00 C ATOM 1362 CD PRO A 89 -15.142 7.630 3.304 1.00 0.00 C ATOM 0 HA PRO A 89 -13.093 9.368 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -15.669 9.495 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -14.789 7.985 0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -16.815 8.815 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -16.648 7.261 1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -15.587 7.790 4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.935 6.563 3.217 1.00 0.00 H new ATOM 1370 N SER A 90 -14.557 11.045 3.711 1.00 0.00 N ATOM 1371 CA SER A 90 -14.503 12.397 4.261 1.00 0.00 C ATOM 1372 C SER A 90 -13.261 12.517 5.126 1.00 0.00 C ATOM 1373 O SER A 90 -12.680 11.499 5.512 1.00 0.00 O ATOM 1374 CB SER A 90 -15.694 12.692 5.177 1.00 0.00 C ATOM 1375 OG SER A 90 -16.892 12.137 4.666 1.00 0.00 O ATOM 0 H SER A 90 -14.786 10.333 4.405 1.00 0.00 H new ATOM 0 HA SER A 90 -14.506 13.091 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.499 12.288 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.810 13.770 5.289 1.00 0.00 H new ATOM 0 HG SER A 90 -17.633 12.341 5.274 1.00 0.00 H new ATOM 1381 N PHE A 91 -12.992 13.728 5.607 1.00 0.00 N ATOM 1382 CA PHE A 91 -12.334 13.874 6.885 1.00 0.00 C ATOM 1383 C PHE A 91 -12.901 15.095 7.610 1.00 0.00 C ATOM 1384 O PHE A 91 -13.813 15.763 7.120 1.00 0.00 O ATOM 1385 CB PHE A 91 -10.814 13.918 6.679 1.00 0.00 C ATOM 1386 CG PHE A 91 -10.044 13.263 7.803 1.00 0.00 C ATOM 1387 CD1 PHE A 91 -9.835 11.872 7.792 1.00 0.00 C ATOM 1388 CD2 PHE A 91 -9.532 14.036 8.858 1.00 0.00 C ATOM 1389 CE1 PHE A 91 -9.114 11.258 8.831 1.00 0.00 C ATOM 1390 CE2 PHE A 91 -8.852 13.418 9.916 1.00 0.00 C ATOM 1391 CZ PHE A 91 -8.627 12.031 9.900 1.00 0.00 C ATOM 0 H PHE A 91 -13.218 14.603 5.135 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.528 13.016 7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.566 13.423 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.496 14.956 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -10.229 11.274 6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.663 15.108 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.934 10.193 8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.499 14.010 10.747 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.082 11.561 10.705 1.00 0.00 H new ATOM 1401 N GLU A 92 -12.367 15.344 8.799 1.00 0.00 N ATOM 1402 CA GLU A 92 -12.377 16.638 9.475 1.00 0.00 C ATOM 1403 C GLU A 92 -11.844 17.722 8.534 1.00 0.00 C ATOM 1404 O GLU A 92 -12.236 18.897 8.704 1.00 0.00 O ATOM 1405 CB GLU A 92 -11.480 16.546 10.726 1.00 0.00 C ATOM 1406 CG GLU A 92 -11.734 17.653 11.760 1.00 0.00 C ATOM 1407 CD GLU A 92 -10.594 17.687 12.786 1.00 0.00 C ATOM 1408 OE1 GLU A 92 -10.586 16.834 13.703 1.00 0.00 O ATOM 1409 OE2 GLU A 92 -9.659 18.508 12.630 1.00 0.00 O ATOM 0 H GLU A 92 -11.895 14.621 9.342 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.395 16.897 9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.635 15.577 11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.436 16.586 10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.812 18.618 11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.684 17.478 12.266 1.00 0.00 H new TER 1416 GLU A 92