USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 806 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 Set 1.1: A 93 LYS NZ :NH3+ 165:sc= 2.34 (180deg=2.09) USER MOD Set 1.2: A 97 GLN : amide:sc= 1.36 K(o=3.7,f=2.2) USER MOD Set 2.1: A 87 SER OG : rot 8:sc= 1.39 USER MOD Set 2.2: A 91 LYS NZ :NH3+ 169:sc= 1.09 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.85 (180deg=1.84) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -83:sc= 1.34 USER MOD Single : A 16 SER OG : rot 66:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 1.55 (180deg=1.1) USER MOD Single : A 34 MET CE :methyl -154:sc= -0.0711 (180deg=-0.354) USER MOD Single : A 44 GLN : amide:sc= 0.0512 X(o=0.051,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= 1.34 (180deg=1.14) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 3.58 (180deg=3.47) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Single : A 61 GLN : amide:sc= 1.09 K(o=1.1,f=-0.045) USER MOD Single : A 63 THR OG1 : rot -63:sc= 1.31 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -135:sc= 0.371 USER MOD Single : A 70 MET CE :methyl 177:sc= 0 (180deg=-0.0138) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 103:sc= 1.2 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.21) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -0.131 K(o=-0.13,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.372 -1.559 1.280 1.00 0.00 N ATOM 2 CA MET A 1 0.372 -0.103 1.021 1.00 0.00 C ATOM 3 C MET A 1 1.612 0.287 0.198 1.00 0.00 C ATOM 4 O MET A 1 1.597 0.121 -1.023 1.00 0.00 O ATOM 5 CB MET A 1 0.177 0.712 2.324 1.00 0.00 C ATOM 6 CG MET A 1 -0.018 2.215 2.071 1.00 0.00 C ATOM 7 SD MET A 1 -0.128 3.205 3.587 1.00 0.00 S ATOM 8 CE MET A 1 -0.169 4.868 2.866 1.00 0.00 C ATOM 0 H1 MET A 1 -0.502 -1.823 1.777 1.00 0.00 H new ATOM 0 H2 MET A 1 0.425 -2.072 0.377 1.00 0.00 H new ATOM 0 H3 MET A 1 1.193 -1.807 1.868 1.00 0.00 H new ATOM 0 HA MET A 1 -0.492 0.157 0.410 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.689 0.325 2.862 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.044 0.568 2.969 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.812 2.583 1.467 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.926 2.361 1.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.236 5.609 3.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.740 5.037 2.289 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.036 4.960 2.211 1.00 0.00 H new ATOM 20 N ALA A 2 2.662 0.835 0.826 1.00 0.00 N ATOM 21 CA ALA A 2 3.842 1.411 0.187 1.00 0.00 C ATOM 22 C ALA A 2 4.928 1.573 1.261 1.00 0.00 C ATOM 23 O ALA A 2 4.719 1.181 2.416 1.00 0.00 O ATOM 24 CB ALA A 2 3.478 2.789 -0.395 1.00 0.00 C ATOM 0 H ALA A 2 2.708 0.889 1.844 1.00 0.00 H new ATOM 0 HA ALA A 2 4.200 0.768 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.355 3.225 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.682 2.674 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.139 3.445 0.407 1.00 0.00 H new ATOM 30 N ILE A 3 6.073 2.170 0.912 1.00 0.00 N ATOM 31 CA ILE A 3 7.025 2.644 1.911 1.00 0.00 C ATOM 32 C ILE A 3 6.435 3.940 2.483 1.00 0.00 C ATOM 33 O ILE A 3 5.845 4.746 1.754 1.00 0.00 O ATOM 34 CB ILE A 3 8.417 2.862 1.283 1.00 0.00 C ATOM 35 CG1 ILE A 3 8.993 1.532 0.744 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.428 3.463 2.281 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.643 1.732 -0.620 1.00 0.00 C ATOM 0 H ILE A 3 6.358 2.334 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 3 7.174 1.913 2.706 1.00 0.00 H new ATOM 0 HB ILE A 3 8.272 3.570 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.727 1.138 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.197 0.792 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.391 3.596 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.063 4.429 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.545 2.790 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.040 0.782 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.900 2.103 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.454 2.455 -0.534 1.00 0.00 H new ATOM 49 N VAL A 4 6.612 4.148 3.783 1.00 0.00 N ATOM 50 CA VAL A 4 6.052 5.236 4.569 1.00 0.00 C ATOM 51 C VAL A 4 7.161 5.711 5.520 1.00 0.00 C ATOM 52 O VAL A 4 8.163 5.020 5.741 1.00 0.00 O ATOM 53 CB VAL A 4 4.774 4.731 5.299 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.033 5.818 6.094 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.746 4.114 4.332 1.00 0.00 C ATOM 0 H VAL A 4 7.186 3.522 4.348 1.00 0.00 H new ATOM 0 HA VAL A 4 5.735 6.083 3.961 1.00 0.00 H new ATOM 0 HB VAL A 4 5.164 3.981 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.155 5.384 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.696 6.227 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.722 6.615 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.874 3.778 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.440 4.862 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.195 3.265 3.817 1.00 0.00 H new ATOM 65 N LYS A 5 6.980 6.898 6.094 1.00 0.00 N ATOM 66 CA LYS A 5 7.835 7.476 7.125 1.00 0.00 C ATOM 67 C LYS A 5 6.991 7.638 8.375 1.00 0.00 C ATOM 68 O LYS A 5 5.814 7.995 8.279 1.00 0.00 O ATOM 69 CB LYS A 5 8.370 8.835 6.661 1.00 0.00 C ATOM 70 CG LYS A 5 9.625 8.666 5.786 1.00 0.00 C ATOM 71 CD LYS A 5 10.649 9.768 6.077 1.00 0.00 C ATOM 72 CE LYS A 5 11.267 9.528 7.466 1.00 0.00 C ATOM 73 NZ LYS A 5 11.877 10.763 8.029 1.00 0.00 N ATOM 0 H LYS A 5 6.202 7.507 5.842 1.00 0.00 H new ATOM 0 HA LYS A 5 8.691 6.831 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.598 9.360 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.608 9.451 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.073 7.690 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.345 8.693 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.428 9.769 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.169 10.746 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.498 9.162 8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.026 8.749 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.281 10.555 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.629 11.099 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.148 11.499 8.122 1.00 0.00 H new ATOM 87 N ALA A 6 7.595 7.404 9.536 1.00 0.00 N ATOM 88 CA ALA A 6 6.918 7.542 10.819 1.00 0.00 C ATOM 89 C ALA A 6 7.868 8.112 11.866 1.00 0.00 C ATOM 90 O ALA A 6 9.089 8.106 11.697 1.00 0.00 O ATOM 91 CB ALA A 6 6.381 6.177 11.274 1.00 0.00 C ATOM 0 H ALA A 6 8.570 7.113 9.613 1.00 0.00 H new ATOM 0 HA ALA A 6 6.082 8.232 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.876 6.286 12.234 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.676 5.798 10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.209 5.476 11.378 1.00 0.00 H new ATOM 97 N THR A 7 7.278 8.552 12.971 1.00 0.00 N ATOM 98 CA THR A 7 7.943 8.968 14.191 1.00 0.00 C ATOM 99 C THR A 7 7.229 8.294 15.361 1.00 0.00 C ATOM 100 O THR A 7 6.152 7.717 15.187 1.00 0.00 O ATOM 101 CB THR A 7 7.892 10.501 14.333 1.00 0.00 C ATOM 102 OG1 THR A 7 6.582 10.986 14.084 1.00 0.00 O ATOM 103 CG2 THR A 7 8.859 11.196 13.370 1.00 0.00 C ATOM 0 H THR A 7 6.263 8.631 13.039 1.00 0.00 H new ATOM 0 HA THR A 7 8.993 8.676 14.172 1.00 0.00 H new ATOM 0 HB THR A 7 8.188 10.729 15.357 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.570 11.961 14.181 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.791 12.276 13.503 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.878 10.868 13.577 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.597 10.940 12.343 1.00 0.00 H new ATOM 111 N ASP A 8 7.782 8.418 16.567 1.00 0.00 N ATOM 112 CA ASP A 8 7.227 7.841 17.789 1.00 0.00 C ATOM 113 C ASP A 8 5.755 8.209 18.014 1.00 0.00 C ATOM 114 O ASP A 8 4.994 7.432 18.592 1.00 0.00 O ATOM 115 CB ASP A 8 8.049 8.304 18.996 1.00 0.00 C ATOM 116 CG ASP A 8 7.702 7.464 20.234 1.00 0.00 C ATOM 117 OD1 ASP A 8 8.093 6.275 20.269 1.00 0.00 O ATOM 118 OD2 ASP A 8 7.069 7.996 21.175 1.00 0.00 O ATOM 0 H ASP A 8 8.648 8.934 16.724 1.00 0.00 H new ATOM 0 HA ASP A 8 7.277 6.758 17.676 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.113 8.216 18.775 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.852 9.357 19.196 1.00 0.00 H new ATOM 123 N GLN A 9 5.351 9.386 17.521 1.00 0.00 N ATOM 124 CA GLN A 9 3.996 9.916 17.619 1.00 0.00 C ATOM 125 C GLN A 9 2.957 9.059 16.881 1.00 0.00 C ATOM 126 O GLN A 9 1.793 9.039 17.291 1.00 0.00 O ATOM 127 CB GLN A 9 3.968 11.341 17.041 1.00 0.00 C ATOM 128 CG GLN A 9 4.870 12.327 17.801 1.00 0.00 C ATOM 129 CD GLN A 9 4.771 13.735 17.208 1.00 0.00 C ATOM 130 OE1 GLN A 9 5.484 14.085 16.270 1.00 0.00 O ATOM 131 NE2 GLN A 9 3.888 14.573 17.728 1.00 0.00 N ATOM 0 H GLN A 9 5.985 10.014 17.026 1.00 0.00 H new ATOM 0 HA GLN A 9 3.728 9.910 18.675 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.278 11.307 15.997 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.943 11.711 17.057 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.583 12.351 18.852 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.904 11.984 17.761 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.300 14.276 18.506 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.796 15.516 17.350 1.00 0.00 H new ATOM 140 N SER A 10 3.360 8.358 15.815 1.00 0.00 N ATOM 141 CA SER A 10 2.438 7.696 14.886 1.00 0.00 C ATOM 142 C SER A 10 2.876 6.283 14.479 1.00 0.00 C ATOM 143 O SER A 10 2.116 5.588 13.804 1.00 0.00 O ATOM 144 CB SER A 10 2.264 8.577 13.639 1.00 0.00 C ATOM 145 OG SER A 10 1.923 9.915 13.985 1.00 0.00 O ATOM 0 H SER A 10 4.343 8.233 15.571 1.00 0.00 H new ATOM 0 HA SER A 10 1.490 7.573 15.411 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.187 8.575 13.060 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.487 8.156 13.001 1.00 0.00 H new ATOM 0 HG SER A 10 1.822 10.448 13.169 1.00 0.00 H new ATOM 151 N PHE A 11 4.065 5.833 14.892 1.00 0.00 N ATOM 152 CA PHE A 11 4.615 4.529 14.539 1.00 0.00 C ATOM 153 C PHE A 11 3.629 3.398 14.846 1.00 0.00 C ATOM 154 O PHE A 11 3.413 2.519 14.009 1.00 0.00 O ATOM 155 CB PHE A 11 5.941 4.335 15.290 1.00 0.00 C ATOM 156 CG PHE A 11 6.668 3.056 14.936 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.508 3.026 13.808 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.506 1.899 15.722 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.192 1.848 13.471 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.185 0.718 15.377 1.00 0.00 C ATOM 161 CZ PHE A 11 8.030 0.692 14.256 1.00 0.00 C ATOM 0 H PHE A 11 4.681 6.380 15.493 1.00 0.00 H new ATOM 0 HA PHE A 11 4.797 4.495 13.465 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.594 5.182 15.079 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.744 4.344 16.362 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.627 3.911 13.200 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.861 1.919 16.588 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.843 1.829 12.609 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.057 -0.172 15.976 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.555 -0.215 13.997 1.00 0.00 H new ATOM 171 N SER A 12 2.986 3.439 16.015 1.00 0.00 N ATOM 172 CA SER A 12 2.038 2.418 16.438 1.00 0.00 C ATOM 173 C SER A 12 0.820 2.354 15.514 1.00 0.00 C ATOM 174 O SER A 12 0.339 1.266 15.193 1.00 0.00 O ATOM 175 CB SER A 12 1.618 2.690 17.888 1.00 0.00 C ATOM 176 OG SER A 12 2.752 2.984 18.695 1.00 0.00 O ATOM 0 H SER A 12 3.112 4.188 16.696 1.00 0.00 H new ATOM 0 HA SER A 12 2.525 1.445 16.379 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.918 3.525 17.918 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.096 1.822 18.289 1.00 0.00 H new ATOM 0 HG SER A 12 2.463 3.156 19.615 1.00 0.00 H new ATOM 182 N ALA A 13 0.334 3.508 15.048 1.00 0.00 N ATOM 183 CA ALA A 13 -0.789 3.566 14.129 1.00 0.00 C ATOM 184 C ALA A 13 -0.386 2.991 12.775 1.00 0.00 C ATOM 185 O ALA A 13 -1.124 2.188 12.199 1.00 0.00 O ATOM 186 CB ALA A 13 -1.293 5.008 13.990 1.00 0.00 C ATOM 0 H ALA A 13 0.712 4.421 15.301 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.605 2.963 14.527 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.135 5.034 13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.613 5.377 14.964 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.490 5.639 13.609 1.00 0.00 H new ATOM 192 N GLU A 14 0.797 3.362 12.283 1.00 0.00 N ATOM 193 CA GLU A 14 1.283 2.902 10.989 1.00 0.00 C ATOM 194 C GLU A 14 1.484 1.386 10.987 1.00 0.00 C ATOM 195 O GLU A 14 1.199 0.735 9.981 1.00 0.00 O ATOM 196 CB GLU A 14 2.584 3.622 10.582 1.00 0.00 C ATOM 197 CG GLU A 14 2.379 5.086 10.155 1.00 0.00 C ATOM 198 CD GLU A 14 1.380 5.272 8.995 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.186 4.330 8.192 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.780 6.366 8.890 1.00 0.00 O ATOM 0 H GLU A 14 1.439 3.987 12.770 1.00 0.00 H new ATOM 0 HA GLU A 14 0.521 3.150 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.281 3.592 11.419 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.048 3.076 9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.031 5.658 11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.341 5.505 9.862 1.00 0.00 H new ATOM 207 N THR A 15 1.921 0.811 12.106 1.00 0.00 N ATOM 208 CA THR A 15 2.210 -0.607 12.232 1.00 0.00 C ATOM 209 C THR A 15 0.969 -1.455 12.538 1.00 0.00 C ATOM 210 O THR A 15 1.081 -2.678 12.637 1.00 0.00 O ATOM 211 CB THR A 15 3.359 -0.801 13.234 1.00 0.00 C ATOM 212 OG1 THR A 15 3.131 -0.118 14.447 1.00 0.00 O ATOM 213 CG2 THR A 15 4.688 -0.301 12.651 1.00 0.00 C ATOM 0 H THR A 15 2.086 1.334 12.966 1.00 0.00 H new ATOM 0 HA THR A 15 2.540 -0.983 11.264 1.00 0.00 H new ATOM 0 HB THR A 15 3.409 -1.872 13.431 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.400 0.819 14.350 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.484 -0.450 13.380 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.919 -0.857 11.743 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.606 0.760 12.415 1.00 0.00 H new ATOM 221 N SER A 16 -0.218 -0.845 12.627 1.00 0.00 N ATOM 222 CA SER A 16 -1.467 -1.524 12.953 1.00 0.00 C ATOM 223 C SER A 16 -2.303 -1.810 11.698 1.00 0.00 C ATOM 224 O SER A 16 -3.533 -1.838 11.754 1.00 0.00 O ATOM 225 CB SER A 16 -2.231 -0.723 14.018 1.00 0.00 C ATOM 226 OG SER A 16 -1.495 -0.651 15.224 1.00 0.00 O ATOM 0 H SER A 16 -0.335 0.156 12.470 1.00 0.00 H new ATOM 0 HA SER A 16 -1.240 -2.502 13.378 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.429 0.283 13.648 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.198 -1.190 14.205 1.00 0.00 H new ATOM 0 HG SER A 16 -0.682 -0.123 15.080 1.00 0.00 H new ATOM 232 N GLU A 17 -1.641 -2.016 10.555 1.00 0.00 N ATOM 233 CA GLU A 17 -2.283 -2.240 9.259 1.00 0.00 C ATOM 234 C GLU A 17 -1.635 -3.436 8.546 1.00 0.00 C ATOM 235 O GLU A 17 -1.044 -3.300 7.472 1.00 0.00 O ATOM 236 CB GLU A 17 -2.297 -0.950 8.418 1.00 0.00 C ATOM 237 CG GLU A 17 -3.158 0.157 9.050 1.00 0.00 C ATOM 238 CD GLU A 17 -3.423 1.308 8.066 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.452 1.957 7.619 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.602 1.578 7.741 1.00 0.00 O ATOM 0 H GLU A 17 -0.622 -2.032 10.506 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.330 -2.501 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.276 -0.588 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.675 -1.175 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.107 -0.265 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.657 0.545 9.937 1.00 0.00 H new ATOM 247 N GLY A 18 -1.730 -4.620 9.163 1.00 0.00 N ATOM 248 CA GLY A 18 -1.251 -5.872 8.590 1.00 0.00 C ATOM 249 C GLY A 18 0.181 -6.133 9.036 1.00 0.00 C ATOM 250 O GLY A 18 0.601 -5.649 10.090 1.00 0.00 O ATOM 0 H GLY A 18 -2.148 -4.731 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.894 -6.695 8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.299 -5.826 7.502 1.00 0.00 H new ATOM 254 N VAL A 19 0.914 -6.930 8.260 1.00 0.00 N ATOM 255 CA VAL A 19 2.357 -7.067 8.432 1.00 0.00 C ATOM 256 C VAL A 19 2.978 -5.753 7.956 1.00 0.00 C ATOM 257 O VAL A 19 2.640 -5.246 6.882 1.00 0.00 O ATOM 258 CB VAL A 19 2.914 -8.279 7.652 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.437 -8.426 7.842 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.250 -9.586 8.113 1.00 0.00 C ATOM 0 H VAL A 19 0.528 -7.493 7.502 1.00 0.00 H new ATOM 0 HA VAL A 19 2.605 -7.256 9.476 1.00 0.00 H new ATOM 0 HB VAL A 19 2.693 -8.096 6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.792 -9.289 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.937 -7.527 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.660 -8.566 8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.661 -10.422 7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.443 -9.737 9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.175 -9.527 7.944 1.00 0.00 H new ATOM 270 N VAL A 20 3.909 -5.221 8.738 1.00 0.00 N ATOM 271 CA VAL A 20 4.617 -3.985 8.462 1.00 0.00 C ATOM 272 C VAL A 20 6.080 -4.255 8.805 1.00 0.00 C ATOM 273 O VAL A 20 6.369 -4.947 9.781 1.00 0.00 O ATOM 274 CB VAL A 20 3.994 -2.833 9.283 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.667 -1.490 8.959 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.479 -2.709 9.019 1.00 0.00 C ATOM 0 H VAL A 20 4.200 -5.657 9.613 1.00 0.00 H new ATOM 0 HA VAL A 20 4.543 -3.673 7.420 1.00 0.00 H new ATOM 0 HB VAL A 20 4.156 -3.074 10.334 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.207 -0.700 9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.729 -1.549 9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.543 -1.267 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.072 -1.890 9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.309 -2.510 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.984 -3.639 9.298 1.00 0.00 H new ATOM 286 N LEU A 21 7.009 -3.730 8.009 1.00 0.00 N ATOM 287 CA LEU A 21 8.437 -3.967 8.171 1.00 0.00 C ATOM 288 C LEU A 21 9.080 -2.596 8.345 1.00 0.00 C ATOM 289 O LEU A 21 9.216 -1.821 7.396 1.00 0.00 O ATOM 290 CB LEU A 21 8.955 -4.802 6.989 1.00 0.00 C ATOM 291 CG LEU A 21 10.329 -5.459 7.218 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.702 -6.289 5.985 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.460 -4.470 7.509 1.00 0.00 C ATOM 0 H LEU A 21 6.785 -3.120 7.223 1.00 0.00 H new ATOM 0 HA LEU A 21 8.691 -4.562 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.227 -5.582 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.016 -4.162 6.109 1.00 0.00 H new ATOM 0 HG LEU A 21 10.224 -6.079 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.674 -6.757 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.950 -7.061 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.748 -5.640 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.392 -5.016 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.571 -3.786 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.225 -3.903 8.409 1.00 0.00 H new ATOM 305 N ALA A 22 9.370 -2.249 9.592 1.00 0.00 N ATOM 306 CA ALA A 22 9.975 -0.983 9.937 1.00 0.00 C ATOM 307 C ALA A 22 11.485 -1.080 9.754 1.00 0.00 C ATOM 308 O ALA A 22 12.079 -2.114 10.062 1.00 0.00 O ATOM 309 CB ALA A 22 9.639 -0.644 11.384 1.00 0.00 C ATOM 0 H ALA A 22 9.187 -2.849 10.396 1.00 0.00 H new ATOM 0 HA ALA A 22 9.589 -0.196 9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.093 0.311 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.557 -0.576 11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.026 -1.424 12.040 1.00 0.00 H new ATOM 315 N ASP A 23 12.098 0.020 9.332 1.00 0.00 N ATOM 316 CA ASP A 23 13.518 0.151 9.037 1.00 0.00 C ATOM 317 C ASP A 23 14.052 1.295 9.891 1.00 0.00 C ATOM 318 O ASP A 23 13.902 2.476 9.562 1.00 0.00 O ATOM 319 CB ASP A 23 13.742 0.392 7.539 1.00 0.00 C ATOM 320 CG ASP A 23 15.203 0.775 7.237 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.126 0.164 7.819 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.421 1.657 6.377 1.00 0.00 O ATOM 0 H ASP A 23 11.589 0.891 9.179 1.00 0.00 H new ATOM 0 HA ASP A 23 14.055 -0.767 9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.479 -0.507 6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.079 1.186 7.195 1.00 0.00 H new ATOM 327 N PHE A 24 14.581 0.921 11.052 1.00 0.00 N ATOM 328 CA PHE A 24 15.247 1.801 11.988 1.00 0.00 C ATOM 329 C PHE A 24 16.603 2.115 11.372 1.00 0.00 C ATOM 330 O PHE A 24 17.445 1.220 11.217 1.00 0.00 O ATOM 331 CB PHE A 24 15.354 1.124 13.368 1.00 0.00 C ATOM 332 CG PHE A 24 14.028 1.066 14.114 1.00 0.00 C ATOM 333 CD1 PHE A 24 12.980 0.247 13.648 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.815 1.879 15.245 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.720 0.295 14.264 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.549 1.931 15.854 1.00 0.00 C ATOM 337 CZ PHE A 24 11.494 1.158 15.347 1.00 0.00 C ATOM 0 H PHE A 24 14.552 -0.047 11.374 1.00 0.00 H new ATOM 0 HA PHE A 24 14.697 2.726 12.159 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.735 0.111 13.240 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.081 1.664 13.975 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.147 -0.419 12.815 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.629 2.465 15.646 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.921 -0.335 13.903 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.389 2.566 16.713 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.511 1.227 15.789 1.00 0.00 H new ATOM 347 N TRP A 25 16.778 3.378 10.981 1.00 0.00 N ATOM 348 CA TRP A 25 17.929 3.862 10.236 1.00 0.00 C ATOM 349 C TRP A 25 18.196 5.318 10.639 1.00 0.00 C ATOM 350 O TRP A 25 17.522 5.838 11.523 1.00 0.00 O ATOM 351 CB TRP A 25 17.688 3.655 8.722 1.00 0.00 C ATOM 352 CG TRP A 25 17.569 4.867 7.845 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.518 5.325 6.997 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.485 5.844 7.785 1.00 0.00 C ATOM 355 NE1 TRP A 25 18.059 6.462 6.363 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.839 6.862 6.852 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.258 5.997 8.456 1.00 0.00 C ATOM 358 CZ2 TRP A 25 16.020 7.970 6.597 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.429 7.111 8.220 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.809 8.096 7.292 1.00 0.00 C ATOM 0 H TRP A 25 16.098 4.111 11.183 1.00 0.00 H new ATOM 0 HA TRP A 25 18.832 3.299 10.474 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.505 3.045 8.336 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.774 3.072 8.608 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.485 4.871 6.840 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.564 6.947 5.621 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.946 5.246 9.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.317 8.716 5.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.496 7.209 8.755 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.169 8.948 7.115 1.00 0.00 H new ATOM 371 N ALA A 26 19.180 5.973 10.025 1.00 0.00 N ATOM 372 CA ALA A 26 19.399 7.410 10.112 1.00 0.00 C ATOM 373 C ALA A 26 20.175 7.806 8.853 1.00 0.00 C ATOM 374 O ALA A 26 20.989 7.002 8.394 1.00 0.00 O ATOM 375 CB ALA A 26 20.215 7.743 11.361 1.00 0.00 C ATOM 0 H ALA A 26 19.866 5.501 9.436 1.00 0.00 H new ATOM 0 HA ALA A 26 18.455 7.951 10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.373 8.820 11.416 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.676 7.410 12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.179 7.237 11.311 1.00 0.00 H new ATOM 381 N PRO A 27 19.994 9.005 8.274 1.00 0.00 N ATOM 382 CA PRO A 27 20.690 9.380 7.047 1.00 0.00 C ATOM 383 C PRO A 27 22.221 9.404 7.123 1.00 0.00 C ATOM 384 O PRO A 27 22.862 9.369 6.072 1.00 0.00 O ATOM 385 CB PRO A 27 20.140 10.743 6.633 1.00 0.00 C ATOM 386 CG PRO A 27 18.785 10.822 7.338 1.00 0.00 C ATOM 387 CD PRO A 27 18.986 10.000 8.611 1.00 0.00 C ATOM 0 HA PRO A 27 20.497 8.602 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.801 11.552 6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 27 20.032 10.819 5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.513 11.852 7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.988 10.411 6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.316 10.630 9.437 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.055 9.526 8.924 1.00 0.00 H new ATOM 395 N TRP A 28 22.833 9.437 8.315 1.00 0.00 N ATOM 396 CA TRP A 28 24.289 9.322 8.428 1.00 0.00 C ATOM 397 C TRP A 28 24.781 7.908 8.083 1.00 0.00 C ATOM 398 O TRP A 28 25.966 7.726 7.795 1.00 0.00 O ATOM 399 CB TRP A 28 24.765 9.732 9.830 1.00 0.00 C ATOM 400 CG TRP A 28 24.364 8.841 10.972 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.318 9.055 11.798 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.988 7.605 11.451 1.00 0.00 C ATOM 403 NE1 TRP A 28 23.255 8.061 12.751 1.00 0.00 N ATOM 404 CE2 TRP A 28 24.242 7.119 12.568 1.00 0.00 C ATOM 405 CE3 TRP A 28 26.108 6.838 11.056 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.570 5.930 13.235 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.444 5.640 11.715 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.676 5.182 12.800 1.00 0.00 C ATOM 0 H TRP A 28 22.346 9.541 9.205 1.00 0.00 H new ATOM 0 HA TRP A 28 24.723 10.007 7.700 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.853 9.794 9.814 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.391 10.735 10.035 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.630 9.884 11.723 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.563 8.028 13.499 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.718 7.178 10.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.979 5.593 14.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.299 5.068 11.384 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.936 4.259 13.297 1.00 0.00 H new ATOM 419 N CYS A 29 23.888 6.913 8.143 1.00 0.00 N ATOM 420 CA CYS A 29 24.196 5.506 7.962 1.00 0.00 C ATOM 421 C CYS A 29 24.806 5.251 6.577 1.00 0.00 C ATOM 422 O CYS A 29 24.455 5.925 5.606 1.00 0.00 O ATOM 423 CB CYS A 29 22.897 4.714 8.139 1.00 0.00 C ATOM 424 SG CYS A 29 23.082 2.919 8.238 1.00 0.00 S ATOM 0 H CYS A 29 22.899 7.081 8.326 1.00 0.00 H new ATOM 0 HA CYS A 29 24.933 5.188 8.699 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.402 5.061 9.046 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.234 4.947 7.306 1.00 0.00 H new ATOM 429 N GLY A 30 25.651 4.225 6.472 1.00 0.00 N ATOM 430 CA GLY A 30 26.191 3.737 5.205 1.00 0.00 C ATOM 431 C GLY A 30 25.516 2.427 4.790 1.00 0.00 C ATOM 432 O GLY A 30 24.870 2.401 3.744 1.00 0.00 O ATOM 0 H GLY A 30 25.985 3.701 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.043 4.488 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.266 3.583 5.299 1.00 0.00 H new ATOM 436 N PRO A 31 25.570 1.352 5.603 1.00 0.00 N ATOM 437 CA PRO A 31 24.963 0.063 5.269 1.00 0.00 C ATOM 438 C PRO A 31 23.462 0.148 4.967 1.00 0.00 C ATOM 439 O PRO A 31 22.968 -0.564 4.094 1.00 0.00 O ATOM 440 CB PRO A 31 25.249 -0.855 6.464 1.00 0.00 C ATOM 441 CG PRO A 31 26.499 -0.245 7.096 1.00 0.00 C ATOM 442 CD PRO A 31 26.317 1.250 6.845 1.00 0.00 C ATOM 0 HA PRO A 31 25.394 -0.322 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.414 -0.873 7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.421 -1.884 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.564 -0.470 8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.411 -0.624 6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.778 1.722 7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.280 1.754 6.765 1.00 0.00 H new ATOM 450 N CYS A 32 22.738 1.060 5.628 1.00 0.00 N ATOM 451 CA CYS A 32 21.316 1.293 5.381 1.00 0.00 C ATOM 452 C CYS A 32 21.056 1.670 3.914 1.00 0.00 C ATOM 453 O CYS A 32 20.042 1.282 3.336 1.00 0.00 O ATOM 454 CB CYS A 32 20.787 2.407 6.295 1.00 0.00 C ATOM 455 SG CYS A 32 21.163 2.278 8.071 1.00 0.00 S ATOM 0 H CYS A 32 23.129 1.660 6.354 1.00 0.00 H new ATOM 0 HA CYS A 32 20.790 0.363 5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.184 3.356 5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.704 2.450 6.182 1.00 0.00 H new ATOM 460 N LYS A 33 21.984 2.399 3.284 1.00 0.00 N ATOM 461 CA LYS A 33 21.855 2.823 1.895 1.00 0.00 C ATOM 462 C LYS A 33 21.946 1.627 0.944 1.00 0.00 C ATOM 463 O LYS A 33 21.412 1.703 -0.160 1.00 0.00 O ATOM 464 CB LYS A 33 22.923 3.878 1.541 1.00 0.00 C ATOM 465 CG LYS A 33 23.100 5.018 2.564 1.00 0.00 C ATOM 466 CD LYS A 33 21.855 5.899 2.775 1.00 0.00 C ATOM 467 CE LYS A 33 22.025 6.869 3.961 1.00 0.00 C ATOM 468 NZ LYS A 33 23.215 7.745 3.833 1.00 0.00 N ATOM 0 H LYS A 33 22.847 2.710 3.730 1.00 0.00 H new ATOM 0 HA LYS A 33 20.871 3.277 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.881 3.372 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.669 4.316 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.387 4.585 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.925 5.652 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.656 6.469 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.987 5.263 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.133 7.489 4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.102 6.294 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.102 8.576 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.066 7.218 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.313 8.056 2.845 1.00 0.00 H new ATOM 482 N MET A 34 22.594 0.527 1.352 1.00 0.00 N ATOM 483 CA MET A 34 22.681 -0.685 0.548 1.00 0.00 C ATOM 484 C MET A 34 21.323 -1.380 0.484 1.00 0.00 C ATOM 485 O MET A 34 20.930 -1.854 -0.580 1.00 0.00 O ATOM 486 CB MET A 34 23.720 -1.671 1.110 1.00 0.00 C ATOM 487 CG MET A 34 25.106 -1.056 1.342 1.00 0.00 C ATOM 488 SD MET A 34 26.413 -2.240 1.790 1.00 0.00 S ATOM 489 CE MET A 34 25.618 -3.189 3.121 1.00 0.00 C ATOM 0 H MET A 34 23.071 0.459 2.251 1.00 0.00 H new ATOM 0 HA MET A 34 22.994 -0.383 -0.452 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.350 -2.073 2.053 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.818 -2.511 0.422 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.409 -0.530 0.436 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.027 -0.310 2.133 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.382 -3.600 3.781 1.00 0.00 H new ATOM 0 HE2 MET A 34 24.959 -2.534 3.691 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.035 -4.003 2.690 1.00 0.00 H new ATOM 499 N ILE A 35 20.608 -1.453 1.612 1.00 0.00 N ATOM 500 CA ILE A 35 19.345 -2.176 1.704 1.00 0.00 C ATOM 501 C ILE A 35 18.160 -1.312 1.252 1.00 0.00 C ATOM 502 O ILE A 35 17.166 -1.870 0.807 1.00 0.00 O ATOM 503 CB ILE A 35 19.174 -2.816 3.104 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.027 -3.851 3.107 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.019 -1.766 4.213 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.987 -4.717 4.372 1.00 0.00 C ATOM 0 H ILE A 35 20.893 -1.010 2.485 1.00 0.00 H new ATOM 0 HA ILE A 35 19.366 -3.008 1.000 1.00 0.00 H new ATOM 0 HB ILE A 35 20.095 -3.353 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.076 -3.328 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.130 -4.498 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.902 -2.267 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.905 -1.131 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.140 -1.154 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.157 -5.421 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.923 -5.268 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.852 -4.079 5.246 1.00 0.00 H new ATOM 518 N ALA A 36 18.248 0.024 1.295 1.00 0.00 N ATOM 519 CA ALA A 36 17.173 0.914 0.846 1.00 0.00 C ATOM 520 C ALA A 36 16.611 0.573 -0.555 1.00 0.00 C ATOM 521 O ALA A 36 15.393 0.402 -0.667 1.00 0.00 O ATOM 522 CB ALA A 36 17.631 2.375 0.948 1.00 0.00 C ATOM 0 H ALA A 36 19.070 0.518 1.643 1.00 0.00 H new ATOM 0 HA ALA A 36 16.329 0.757 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.828 3.032 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.881 2.606 1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.509 2.526 0.320 1.00 0.00 H new ATOM 528 N PRO A 37 17.420 0.395 -1.622 1.00 0.00 N ATOM 529 CA PRO A 37 16.883 -0.001 -2.921 1.00 0.00 C ATOM 530 C PRO A 37 16.306 -1.420 -2.897 1.00 0.00 C ATOM 531 O PRO A 37 15.374 -1.713 -3.644 1.00 0.00 O ATOM 532 CB PRO A 37 18.035 0.141 -3.920 1.00 0.00 C ATOM 533 CG PRO A 37 19.282 0.002 -3.051 1.00 0.00 C ATOM 534 CD PRO A 37 18.850 0.637 -1.732 1.00 0.00 C ATOM 0 HA PRO A 37 16.044 0.634 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.995 -0.629 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.007 1.104 -4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.570 -1.041 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.138 0.518 -3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.386 0.196 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.067 1.705 -1.723 1.00 0.00 H new ATOM 542 N VAL A 38 16.806 -2.298 -2.026 1.00 0.00 N ATOM 543 CA VAL A 38 16.233 -3.619 -1.844 1.00 0.00 C ATOM 544 C VAL A 38 14.856 -3.500 -1.182 1.00 0.00 C ATOM 545 O VAL A 38 13.954 -4.239 -1.557 1.00 0.00 O ATOM 546 CB VAL A 38 17.167 -4.556 -1.052 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.696 -6.002 -1.249 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.635 -4.476 -1.501 1.00 0.00 C ATOM 0 H VAL A 38 17.614 -2.109 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 38 16.111 -4.074 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 38 17.120 -4.240 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.348 -6.676 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.674 -6.105 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.731 -6.255 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.236 -5.160 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.709 -4.752 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.002 -3.458 -1.366 1.00 0.00 H new ATOM 558 N LEU A 39 14.649 -2.569 -0.242 1.00 0.00 N ATOM 559 CA LEU A 39 13.328 -2.293 0.313 1.00 0.00 C ATOM 560 C LEU A 39 12.396 -1.718 -0.751 1.00 0.00 C ATOM 561 O LEU A 39 11.214 -2.047 -0.740 1.00 0.00 O ATOM 562 CB LEU A 39 13.398 -1.358 1.532 1.00 0.00 C ATOM 563 CG LEU A 39 14.109 -1.974 2.751 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.236 -0.929 3.862 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.385 -3.212 3.301 1.00 0.00 C ATOM 0 H LEU A 39 15.392 -1.991 0.150 1.00 0.00 H new ATOM 0 HA LEU A 39 12.921 -3.245 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.916 -0.442 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.385 -1.075 1.819 1.00 0.00 H new ATOM 0 HG LEU A 39 15.094 -2.295 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.740 -1.371 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.815 -0.080 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.243 -0.590 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.932 -3.602 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.376 -2.937 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.332 -3.977 2.526 1.00 0.00 H new ATOM 577 N GLU A 40 12.895 -0.914 -1.694 1.00 0.00 N ATOM 578 CA GLU A 40 12.088 -0.509 -2.845 1.00 0.00 C ATOM 579 C GLU A 40 11.679 -1.726 -3.683 1.00 0.00 C ATOM 580 O GLU A 40 10.519 -1.846 -4.089 1.00 0.00 O ATOM 581 CB GLU A 40 12.789 0.562 -3.696 1.00 0.00 C ATOM 582 CG GLU A 40 12.909 1.903 -2.960 1.00 0.00 C ATOM 583 CD GLU A 40 13.524 2.989 -3.861 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.776 3.656 -4.614 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.755 3.208 -3.813 1.00 0.00 O ATOM 0 H GLU A 40 13.842 -0.535 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 40 11.178 -0.050 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.783 0.211 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.234 0.707 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.923 2.224 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.524 1.776 -2.069 1.00 0.00 H new ATOM 592 N GLU A 41 12.598 -2.656 -3.937 1.00 0.00 N ATOM 593 CA GLU A 41 12.274 -3.886 -4.649 1.00 0.00 C ATOM 594 C GLU A 41 11.277 -4.728 -3.849 1.00 0.00 C ATOM 595 O GLU A 41 10.337 -5.266 -4.423 1.00 0.00 O ATOM 596 CB GLU A 41 13.537 -4.687 -4.998 1.00 0.00 C ATOM 597 CG GLU A 41 14.342 -4.028 -6.125 1.00 0.00 C ATOM 598 CD GLU A 41 15.553 -4.887 -6.532 1.00 0.00 C ATOM 599 OE1 GLU A 41 16.631 -4.773 -5.906 1.00 0.00 O ATOM 600 OE2 GLU A 41 15.442 -5.671 -7.502 1.00 0.00 O ATOM 0 H GLU A 41 13.576 -2.578 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 41 11.801 -3.612 -5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.164 -4.780 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.255 -5.697 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.698 -3.873 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.684 -3.045 -5.802 1.00 0.00 H new ATOM 607 N LEU A 42 11.436 -4.802 -2.527 1.00 0.00 N ATOM 608 CA LEU A 42 10.547 -5.530 -1.631 1.00 0.00 C ATOM 609 C LEU A 42 9.143 -4.934 -1.694 1.00 0.00 C ATOM 610 O LEU A 42 8.162 -5.673 -1.762 1.00 0.00 O ATOM 611 CB LEU A 42 11.095 -5.488 -0.193 1.00 0.00 C ATOM 612 CG LEU A 42 10.290 -6.347 0.800 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.415 -7.840 0.477 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.790 -6.087 2.224 1.00 0.00 C ATOM 0 H LEU A 42 12.207 -4.345 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 42 10.494 -6.572 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.131 -5.828 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.100 -4.455 0.155 1.00 0.00 H new ATOM 0 HG LEU A 42 9.239 -6.069 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.835 -8.418 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.037 -8.028 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.462 -8.138 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.220 -6.695 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.846 -6.348 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.660 -5.033 2.468 1.00 0.00 H new ATOM 626 N ASP A 43 9.036 -3.605 -1.721 1.00 0.00 N ATOM 627 CA ASP A 43 7.762 -2.916 -1.869 1.00 0.00 C ATOM 628 C ASP A 43 7.100 -3.287 -3.188 1.00 0.00 C ATOM 629 O ASP A 43 5.909 -3.582 -3.236 1.00 0.00 O ATOM 630 CB ASP A 43 7.948 -1.399 -1.827 1.00 0.00 C ATOM 631 CG ASP A 43 6.575 -0.722 -1.745 1.00 0.00 C ATOM 632 OD1 ASP A 43 5.871 -0.944 -0.737 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.216 0.039 -2.671 1.00 0.00 O ATOM 0 H ASP A 43 9.836 -2.977 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 43 7.129 -3.226 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.556 -1.119 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.480 -1.062 -2.716 1.00 0.00 H new ATOM 638 N GLN A 44 7.892 -3.333 -4.257 1.00 0.00 N ATOM 639 CA GLN A 44 7.415 -3.686 -5.587 1.00 0.00 C ATOM 640 C GLN A 44 7.077 -5.186 -5.717 1.00 0.00 C ATOM 641 O GLN A 44 6.461 -5.585 -6.707 1.00 0.00 O ATOM 642 CB GLN A 44 8.440 -3.213 -6.626 1.00 0.00 C ATOM 643 CG GLN A 44 8.495 -1.675 -6.676 1.00 0.00 C ATOM 644 CD GLN A 44 9.693 -1.194 -7.492 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.601 -0.939 -8.691 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.844 -1.072 -6.854 1.00 0.00 N ATOM 0 H GLN A 44 8.890 -3.124 -4.222 1.00 0.00 H new ATOM 0 HA GLN A 44 6.471 -3.174 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.425 -3.609 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.176 -3.604 -7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.574 -1.289 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.558 -1.277 -5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.901 -1.288 -5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.675 -0.762 -7.357 1.00 0.00 H new ATOM 655 N GLU A 45 7.438 -6.016 -4.733 1.00 0.00 N ATOM 656 CA GLU A 45 7.217 -7.459 -4.719 1.00 0.00 C ATOM 657 C GLU A 45 6.082 -7.840 -3.767 1.00 0.00 C ATOM 658 O GLU A 45 5.408 -8.844 -4.003 1.00 0.00 O ATOM 659 CB GLU A 45 8.513 -8.166 -4.280 1.00 0.00 C ATOM 660 CG GLU A 45 9.606 -8.150 -5.360 1.00 0.00 C ATOM 661 CD GLU A 45 9.517 -9.320 -6.357 1.00 0.00 C ATOM 662 OE1 GLU A 45 8.453 -9.530 -6.985 1.00 0.00 O ATOM 663 OE2 GLU A 45 10.541 -10.016 -6.549 1.00 0.00 O ATOM 0 H GLU A 45 7.911 -5.684 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 45 6.936 -7.773 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.894 -7.685 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.285 -9.199 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.545 -7.211 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.582 -8.172 -4.875 1.00 0.00 H new ATOM 670 N MET A 46 5.850 -7.049 -2.713 1.00 0.00 N ATOM 671 CA MET A 46 4.966 -7.425 -1.611 1.00 0.00 C ATOM 672 C MET A 46 4.004 -6.321 -1.189 1.00 0.00 C ATOM 673 O MET A 46 3.199 -6.557 -0.292 1.00 0.00 O ATOM 674 CB MET A 46 5.796 -7.849 -0.392 1.00 0.00 C ATOM 675 CG MET A 46 6.858 -8.905 -0.712 1.00 0.00 C ATOM 676 SD MET A 46 7.345 -9.873 0.729 1.00 0.00 S ATOM 677 CE MET A 46 6.026 -11.110 0.678 1.00 0.00 C ATOM 0 H MET A 46 6.273 -6.127 -2.603 1.00 0.00 H new ATOM 0 HA MET A 46 4.362 -8.253 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.285 -6.970 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.127 -8.239 0.375 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.475 -9.576 -1.481 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.738 -8.413 -1.127 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.153 -11.812 1.502 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.059 -10.615 0.769 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.070 -11.650 -0.268 1.00 0.00 H new ATOM 687 N GLY A 47 4.047 -5.134 -1.795 1.00 0.00 N ATOM 688 CA GLY A 47 3.261 -3.968 -1.381 1.00 0.00 C ATOM 689 C GLY A 47 1.744 -4.178 -1.340 1.00 0.00 C ATOM 690 O GLY A 47 1.032 -3.371 -0.746 1.00 0.00 O ATOM 0 H GLY A 47 4.641 -4.951 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.595 -3.659 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.478 -3.145 -2.061 1.00 0.00 H new ATOM 694 N ASP A 48 1.231 -5.258 -1.932 1.00 0.00 N ATOM 695 CA ASP A 48 -0.174 -5.649 -1.842 1.00 0.00 C ATOM 696 C ASP A 48 -0.540 -6.135 -0.431 1.00 0.00 C ATOM 697 O ASP A 48 -1.672 -5.946 0.017 1.00 0.00 O ATOM 698 CB ASP A 48 -0.478 -6.750 -2.861 1.00 0.00 C ATOM 699 CG ASP A 48 -1.954 -7.173 -2.801 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.828 -6.403 -3.260 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.239 -8.294 -2.325 1.00 0.00 O ATOM 0 H ASP A 48 1.792 -5.896 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.776 -4.767 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.239 -6.396 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.158 -7.614 -2.668 1.00 0.00 H new ATOM 706 N LYS A 49 0.428 -6.717 0.288 1.00 0.00 N ATOM 707 CA LYS A 49 0.273 -7.265 1.637 1.00 0.00 C ATOM 708 C LYS A 49 1.119 -6.507 2.661 1.00 0.00 C ATOM 709 O LYS A 49 0.826 -6.589 3.854 1.00 0.00 O ATOM 710 CB LYS A 49 0.704 -8.747 1.649 1.00 0.00 C ATOM 711 CG LYS A 49 -0.092 -9.675 0.719 1.00 0.00 C ATOM 712 CD LYS A 49 -1.604 -9.654 1.007 1.00 0.00 C ATOM 713 CE LYS A 49 -2.370 -10.792 0.317 1.00 0.00 C ATOM 714 NZ LYS A 49 -2.210 -10.792 -1.158 1.00 0.00 N ATOM 0 H LYS A 49 1.377 -6.822 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.777 -7.164 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.757 -8.803 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.620 -9.124 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.080 -9.379 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.279 -10.694 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.763 -9.719 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.016 -8.699 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.025 -11.747 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.429 -10.709 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.923 -11.418 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.337 -9.826 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.259 -11.132 -1.404 1.00 0.00 H new ATOM 728 N LEU A 50 2.150 -5.784 2.220 1.00 0.00 N ATOM 729 CA LEU A 50 3.173 -5.213 3.085 1.00 0.00 C ATOM 730 C LEU A 50 3.100 -3.688 3.103 1.00 0.00 C ATOM 731 O LEU A 50 2.617 -3.057 2.160 1.00 0.00 O ATOM 732 CB LEU A 50 4.543 -5.698 2.563 1.00 0.00 C ATOM 733 CG LEU A 50 5.769 -5.354 3.430 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.661 -5.964 4.831 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.038 -5.858 2.742 1.00 0.00 C ATOM 0 H LEU A 50 2.296 -5.577 1.232 1.00 0.00 H new ATOM 0 HA LEU A 50 3.020 -5.540 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.500 -6.781 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.698 -5.277 1.570 1.00 0.00 H new ATOM 0 HG LEU A 50 5.810 -4.271 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.544 -5.699 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.771 -5.579 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.591 -7.049 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.906 -5.615 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.977 -6.939 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.137 -5.381 1.767 1.00 0.00 H new ATOM 747 N LYS A 51 3.631 -3.092 4.167 1.00 0.00 N ATOM 748 CA LYS A 51 3.932 -1.672 4.296 1.00 0.00 C ATOM 749 C LYS A 51 5.353 -1.650 4.850 1.00 0.00 C ATOM 750 O LYS A 51 5.699 -2.513 5.662 1.00 0.00 O ATOM 751 CB LYS A 51 2.928 -0.992 5.247 1.00 0.00 C ATOM 752 CG LYS A 51 3.204 0.515 5.434 1.00 0.00 C ATOM 753 CD LYS A 51 2.457 1.131 6.624 1.00 0.00 C ATOM 754 CE LYS A 51 0.937 1.139 6.434 1.00 0.00 C ATOM 755 NZ LYS A 51 0.274 1.826 7.558 1.00 0.00 N ATOM 0 H LYS A 51 3.876 -3.616 5.007 1.00 0.00 H new ATOM 0 HA LYS A 51 3.854 -1.125 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.919 -1.126 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.963 -1.486 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.275 0.666 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.920 1.044 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.702 0.574 7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.805 2.153 6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.685 1.637 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.570 0.116 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.752 1.661 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.642 1.455 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.463 2.847 7.501 1.00 0.00 H new ATOM 769 N ILE A 52 6.168 -0.684 4.447 1.00 0.00 N ATOM 770 CA ILE A 52 7.532 -0.537 4.945 1.00 0.00 C ATOM 771 C ILE A 52 7.563 0.823 5.637 1.00 0.00 C ATOM 772 O ILE A 52 6.951 1.764 5.136 1.00 0.00 O ATOM 773 CB ILE A 52 8.543 -0.704 3.783 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.436 -2.127 3.181 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.984 -0.402 4.238 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.333 -2.372 1.963 1.00 0.00 C ATOM 0 H ILE A 52 5.902 0.024 3.762 1.00 0.00 H new ATOM 0 HA ILE A 52 7.826 -1.304 5.662 1.00 0.00 H new ATOM 0 HB ILE A 52 8.291 0.021 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.687 -2.854 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.400 -2.310 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.665 -0.529 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.043 0.624 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.264 -1.087 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.193 -3.393 1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.069 -1.672 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.376 -2.225 2.244 1.00 0.00 H new ATOM 788 N VAL A 53 8.227 0.946 6.787 1.00 0.00 N ATOM 789 CA VAL A 53 8.146 2.156 7.612 1.00 0.00 C ATOM 790 C VAL A 53 9.561 2.578 8.010 1.00 0.00 C ATOM 791 O VAL A 53 10.141 2.021 8.941 1.00 0.00 O ATOM 792 CB VAL A 53 7.190 1.919 8.808 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.167 3.108 9.780 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.745 1.701 8.330 1.00 0.00 C ATOM 0 H VAL A 53 8.831 0.219 7.171 1.00 0.00 H new ATOM 0 HA VAL A 53 7.715 2.988 7.055 1.00 0.00 H new ATOM 0 HB VAL A 53 7.571 1.033 9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.483 2.894 10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.169 3.273 10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.833 4.002 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.098 1.537 9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.406 2.581 7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.706 0.830 7.676 1.00 0.00 H new ATOM 804 N LYS A 54 10.147 3.549 7.306 1.00 0.00 N ATOM 805 CA LYS A 54 11.456 4.080 7.690 1.00 0.00 C ATOM 806 C LYS A 54 11.254 4.960 8.925 1.00 0.00 C ATOM 807 O LYS A 54 10.316 5.764 8.952 1.00 0.00 O ATOM 808 CB LYS A 54 12.101 4.868 6.535 1.00 0.00 C ATOM 809 CG LYS A 54 12.228 4.028 5.252 1.00 0.00 C ATOM 810 CD LYS A 54 13.039 4.727 4.150 1.00 0.00 C ATOM 811 CE LYS A 54 12.353 6.008 3.645 1.00 0.00 C ATOM 812 NZ LYS A 54 13.105 6.644 2.532 1.00 0.00 N ATOM 0 H LYS A 54 9.741 3.980 6.475 1.00 0.00 H new ATOM 0 HA LYS A 54 12.140 3.264 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.505 5.756 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.089 5.212 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.701 3.076 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.231 3.802 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.029 4.974 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.181 4.040 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.343 5.770 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.257 6.716 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.607 7.503 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.060 6.895 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.175 5.979 1.735 1.00 0.00 H new ATOM 826 N ILE A 55 12.132 4.848 9.923 1.00 0.00 N ATOM 827 CA ILE A 55 12.099 5.681 11.121 1.00 0.00 C ATOM 828 C ILE A 55 13.539 6.054 11.500 1.00 0.00 C ATOM 829 O ILE A 55 14.421 5.193 11.615 1.00 0.00 O ATOM 830 CB ILE A 55 11.256 5.016 12.240 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.210 5.930 13.487 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.704 3.589 12.605 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.088 5.578 14.471 1.00 0.00 C ATOM 0 H ILE A 55 12.893 4.169 9.920 1.00 0.00 H new ATOM 0 HA ILE A 55 11.580 6.622 10.937 1.00 0.00 H new ATOM 0 HB ILE A 55 10.250 4.900 11.838 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.167 5.870 14.005 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.086 6.964 13.164 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.063 3.197 13.395 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.630 2.948 11.726 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.737 3.610 12.953 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.120 6.262 15.319 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.124 5.666 13.970 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.221 4.556 14.824 1.00 0.00 H new ATOM 845 N ASP A 56 13.770 7.367 11.613 1.00 0.00 N ATOM 846 CA ASP A 56 15.081 7.963 11.855 1.00 0.00 C ATOM 847 C ASP A 56 15.373 7.916 13.350 1.00 0.00 C ATOM 848 O ASP A 56 14.772 8.673 14.117 1.00 0.00 O ATOM 849 CB ASP A 56 15.126 9.408 11.339 1.00 0.00 C ATOM 850 CG ASP A 56 16.446 10.133 11.677 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.415 9.494 12.144 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.507 11.361 11.435 1.00 0.00 O ATOM 0 H ASP A 56 13.026 8.061 11.536 1.00 0.00 H new ATOM 0 HA ASP A 56 15.842 7.398 11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.987 9.405 10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.293 9.966 11.766 1.00 0.00 H new ATOM 857 N VAL A 57 16.249 7.013 13.782 1.00 0.00 N ATOM 858 CA VAL A 57 16.528 6.783 15.194 1.00 0.00 C ATOM 859 C VAL A 57 17.067 8.039 15.881 1.00 0.00 C ATOM 860 O VAL A 57 16.842 8.199 17.081 1.00 0.00 O ATOM 861 CB VAL A 57 17.457 5.566 15.395 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.824 4.305 14.794 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.872 5.735 14.818 1.00 0.00 C ATOM 0 H VAL A 57 16.789 6.416 13.156 1.00 0.00 H new ATOM 0 HA VAL A 57 15.581 6.546 15.678 1.00 0.00 H new ATOM 0 HB VAL A 57 17.570 5.475 16.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.491 3.456 14.944 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.870 4.108 15.284 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.660 4.454 13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.452 4.832 15.006 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.809 5.908 13.744 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.360 6.585 15.294 1.00 0.00 H new ATOM 873 N ASP A 58 17.726 8.951 15.159 1.00 0.00 N ATOM 874 CA ASP A 58 18.320 10.151 15.755 1.00 0.00 C ATOM 875 C ASP A 58 17.250 11.100 16.310 1.00 0.00 C ATOM 876 O ASP A 58 17.534 11.910 17.192 1.00 0.00 O ATOM 877 CB ASP A 58 19.193 10.879 14.729 1.00 0.00 C ATOM 878 CG ASP A 58 19.930 12.073 15.362 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.798 11.857 16.239 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.690 13.230 14.949 1.00 0.00 O ATOM 0 H ASP A 58 17.862 8.879 14.151 1.00 0.00 H new ATOM 0 HA ASP A 58 18.942 9.829 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.919 10.183 14.308 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.572 11.229 13.904 1.00 0.00 H new ATOM 885 N GLU A 59 16.005 10.955 15.846 1.00 0.00 N ATOM 886 CA GLU A 59 14.846 11.737 16.267 1.00 0.00 C ATOM 887 C GLU A 59 13.825 10.852 17.003 1.00 0.00 C ATOM 888 O GLU A 59 12.767 11.342 17.403 1.00 0.00 O ATOM 889 CB GLU A 59 14.215 12.387 15.019 1.00 0.00 C ATOM 890 CG GLU A 59 15.040 13.550 14.443 1.00 0.00 C ATOM 891 CD GLU A 59 14.955 14.816 15.317 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.980 15.590 15.179 1.00 0.00 O ATOM 893 OE2 GLU A 59 15.868 15.071 16.134 1.00 0.00 O ATOM 0 H GLU A 59 15.771 10.260 15.137 1.00 0.00 H new ATOM 0 HA GLU A 59 15.160 12.513 16.965 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.089 11.626 14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.220 12.751 15.274 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.082 13.243 14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.687 13.781 13.438 1.00 0.00 H new ATOM 900 N ASN A 60 14.116 9.556 17.190 1.00 0.00 N ATOM 901 CA ASN A 60 13.157 8.555 17.669 1.00 0.00 C ATOM 902 C ASN A 60 13.853 7.581 18.619 1.00 0.00 C ATOM 903 O ASN A 60 13.645 6.367 18.562 1.00 0.00 O ATOM 904 CB ASN A 60 12.477 7.843 16.486 1.00 0.00 C ATOM 905 CG ASN A 60 11.600 8.799 15.689 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.490 9.130 16.096 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.074 9.276 14.551 1.00 0.00 N ATOM 0 H ASN A 60 15.042 9.169 17.009 1.00 0.00 H new ATOM 0 HA ASN A 60 12.365 9.050 18.231 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.237 7.414 15.833 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.872 7.016 16.857 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.516 9.928 13.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.998 8.993 14.225 1.00 0.00 H new ATOM 914 N GLN A 61 14.707 8.125 19.493 1.00 0.00 N ATOM 915 CA GLN A 61 15.428 7.362 20.505 1.00 0.00 C ATOM 916 C GLN A 61 14.464 6.572 21.397 1.00 0.00 C ATOM 917 O GLN A 61 14.808 5.477 21.834 1.00 0.00 O ATOM 918 CB GLN A 61 16.291 8.305 21.360 1.00 0.00 C ATOM 919 CG GLN A 61 17.482 8.903 20.593 1.00 0.00 C ATOM 920 CD GLN A 61 18.559 7.857 20.299 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.364 7.505 21.158 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.597 7.328 19.087 1.00 0.00 N ATOM 0 H GLN A 61 14.916 9.123 19.513 1.00 0.00 H new ATOM 0 HA GLN A 61 16.074 6.648 19.995 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.667 9.115 21.737 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.663 7.759 22.227 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.130 9.334 19.656 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.916 9.716 21.175 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.925 7.625 18.379 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.298 6.623 18.860 1.00 0.00 H new ATOM 931 N GLU A 62 13.258 7.092 21.647 1.00 0.00 N ATOM 932 CA GLU A 62 12.262 6.414 22.468 1.00 0.00 C ATOM 933 C GLU A 62 11.794 5.126 21.788 1.00 0.00 C ATOM 934 O GLU A 62 11.775 4.071 22.422 1.00 0.00 O ATOM 935 CB GLU A 62 11.070 7.347 22.744 1.00 0.00 C ATOM 936 CG GLU A 62 11.432 8.595 23.567 1.00 0.00 C ATOM 937 CD GLU A 62 11.958 8.250 24.973 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.151 7.892 25.860 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.182 8.356 25.216 1.00 0.00 O ATOM 0 H GLU A 62 12.950 7.994 21.284 1.00 0.00 H new ATOM 0 HA GLU A 62 12.720 6.150 23.421 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.641 7.663 21.793 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.298 6.787 23.272 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.188 9.171 23.032 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.552 9.232 23.659 1.00 0.00 H new ATOM 946 N THR A 63 11.464 5.176 20.494 1.00 0.00 N ATOM 947 CA THR A 63 10.981 4.019 19.754 1.00 0.00 C ATOM 948 C THR A 63 12.120 3.007 19.579 1.00 0.00 C ATOM 949 O THR A 63 11.908 1.810 19.712 1.00 0.00 O ATOM 950 CB THR A 63 10.436 4.460 18.387 1.00 0.00 C ATOM 951 OG1 THR A 63 9.969 5.793 18.410 1.00 0.00 O ATOM 952 CG2 THR A 63 9.319 3.565 17.848 1.00 0.00 C ATOM 0 H THR A 63 11.527 6.026 19.933 1.00 0.00 H new ATOM 0 HA THR A 63 10.173 3.545 20.311 1.00 0.00 H new ATOM 0 HB THR A 63 11.291 4.374 17.717 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.214 5.864 19.030 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.987 3.941 16.880 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.692 2.547 17.734 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.481 3.568 18.546 1.00 0.00 H new ATOM 960 N ALA A 64 13.348 3.467 19.326 1.00 0.00 N ATOM 961 CA ALA A 64 14.522 2.604 19.297 1.00 0.00 C ATOM 962 C ALA A 64 14.693 1.898 20.648 1.00 0.00 C ATOM 963 O ALA A 64 14.819 0.673 20.698 1.00 0.00 O ATOM 964 CB ALA A 64 15.753 3.443 18.924 1.00 0.00 C ATOM 0 H ALA A 64 13.552 4.448 19.136 1.00 0.00 H new ATOM 0 HA ALA A 64 14.399 1.827 18.543 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.635 2.804 18.900 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.604 3.892 17.942 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.895 4.230 19.665 1.00 0.00 H new ATOM 970 N GLY A 65 14.617 2.650 21.748 1.00 0.00 N ATOM 971 CA GLY A 65 14.699 2.124 23.103 1.00 0.00 C ATOM 972 C GLY A 65 13.586 1.121 23.408 1.00 0.00 C ATOM 973 O GLY A 65 13.808 0.190 24.182 1.00 0.00 O ATOM 0 H GLY A 65 14.494 3.662 21.716 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.667 1.643 23.245 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.646 2.949 23.814 1.00 0.00 H new ATOM 977 N LYS A 66 12.420 1.252 22.760 1.00 0.00 N ATOM 978 CA LYS A 66 11.268 0.368 22.935 1.00 0.00 C ATOM 979 C LYS A 66 11.638 -1.093 22.665 1.00 0.00 C ATOM 980 O LYS A 66 11.059 -1.979 23.295 1.00 0.00 O ATOM 981 CB LYS A 66 10.121 0.835 22.013 1.00 0.00 C ATOM 982 CG LYS A 66 8.730 0.286 22.372 1.00 0.00 C ATOM 983 CD LYS A 66 8.200 0.795 23.721 1.00 0.00 C ATOM 984 CE LYS A 66 6.762 0.302 23.935 1.00 0.00 C ATOM 985 NZ LYS A 66 6.194 0.768 25.224 1.00 0.00 N ATOM 0 H LYS A 66 12.252 1.996 22.083 1.00 0.00 H new ATOM 0 HA LYS A 66 10.936 0.423 23.972 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.081 1.924 22.032 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.357 0.543 20.990 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.026 0.561 21.587 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.773 -0.803 22.395 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.839 0.442 24.530 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.228 1.884 23.745 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.134 0.653 23.116 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.745 -0.787 23.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.222 0.411 25.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.777 0.413 26.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.184 1.808 25.243 1.00 0.00 H new ATOM 999 N TYR A 67 12.623 -1.346 21.793 1.00 0.00 N ATOM 1000 CA TYR A 67 13.066 -2.697 21.437 1.00 0.00 C ATOM 1001 C TYR A 67 14.569 -2.883 21.687 1.00 0.00 C ATOM 1002 O TYR A 67 15.150 -3.879 21.249 1.00 0.00 O ATOM 1003 CB TYR A 67 12.684 -3.014 19.979 1.00 0.00 C ATOM 1004 CG TYR A 67 11.417 -2.337 19.496 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.155 -2.773 19.942 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.520 -1.186 18.696 1.00 0.00 C ATOM 1007 CE1 TYR A 67 8.998 -2.055 19.591 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.373 -0.456 18.358 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.102 -0.885 18.804 1.00 0.00 C ATOM 1010 OH TYR A 67 7.980 -0.165 18.524 1.00 0.00 O ATOM 0 H TYR A 67 13.139 -0.610 21.311 1.00 0.00 H new ATOM 0 HA TYR A 67 12.553 -3.408 22.084 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.508 -2.719 19.329 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.566 -4.093 19.875 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.075 -3.659 20.554 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.487 -0.863 18.340 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.029 -2.398 19.923 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.460 0.436 17.756 1.00 0.00 H new ATOM 0 HH TYR A 67 7.973 0.074 17.574 1.00 0.00 H new ATOM 1020 N GLY A 68 15.216 -1.932 22.372 1.00 0.00 N ATOM 1021 CA GLY A 68 16.652 -1.951 22.629 1.00 0.00 C ATOM 1022 C GLY A 68 17.486 -1.844 21.348 1.00 0.00 C ATOM 1023 O GLY A 68 18.597 -2.376 21.304 1.00 0.00 O ATOM 0 H GLY A 68 14.745 -1.118 22.767 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.908 -1.126 23.294 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.911 -2.873 23.150 1.00 0.00 H new ATOM 1027 N VAL A 69 16.966 -1.195 20.300 1.00 0.00 N ATOM 1028 CA VAL A 69 17.723 -0.897 19.088 1.00 0.00 C ATOM 1029 C VAL A 69 18.874 0.035 19.498 1.00 0.00 C ATOM 1030 O VAL A 69 18.643 1.076 20.119 1.00 0.00 O ATOM 1031 CB VAL A 69 16.806 -0.272 18.010 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.569 -0.008 16.705 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.583 -1.153 17.702 1.00 0.00 C ATOM 0 H VAL A 69 16.002 -0.862 20.273 1.00 0.00 H new ATOM 0 HA VAL A 69 18.130 -1.803 18.638 1.00 0.00 H new ATOM 0 HB VAL A 69 16.459 0.674 18.426 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.893 0.431 15.971 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.392 0.680 16.898 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.964 -0.947 16.318 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.970 -0.672 16.940 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.917 -2.125 17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 69 14.994 -1.288 18.609 1.00 0.00 H new ATOM 1043 N MET A 70 20.107 -0.348 19.157 1.00 0.00 N ATOM 1044 CA MET A 70 21.331 0.378 19.514 1.00 0.00 C ATOM 1045 C MET A 70 22.317 0.417 18.329 1.00 0.00 C ATOM 1046 O MET A 70 23.402 0.992 18.439 1.00 0.00 O ATOM 1047 CB MET A 70 21.932 -0.289 20.766 1.00 0.00 C ATOM 1048 CG MET A 70 22.943 0.598 21.507 1.00 0.00 C ATOM 1049 SD MET A 70 23.505 -0.053 23.108 1.00 0.00 S ATOM 1050 CE MET A 70 24.470 -1.492 22.568 1.00 0.00 C ATOM 0 H MET A 70 20.287 -1.191 18.612 1.00 0.00 H new ATOM 0 HA MET A 70 21.106 1.419 19.744 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.125 -0.555 21.449 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.422 -1.218 20.474 1.00 0.00 H new ATOM 0 HG2 MET A 70 23.812 0.746 20.866 1.00 0.00 H new ATOM 0 HG3 MET A 70 22.495 1.579 21.667 1.00 0.00 H new ATOM 0 HE1 MET A 70 24.927 -1.970 23.435 1.00 0.00 H new ATOM 0 HE2 MET A 70 23.814 -2.203 22.066 1.00 0.00 H new ATOM 0 HE3 MET A 70 25.250 -1.169 21.878 1.00 0.00 H new ATOM 1060 N SER A 71 21.925 -0.151 17.188 1.00 0.00 N ATOM 1061 CA SER A 71 22.673 -0.210 15.943 1.00 0.00 C ATOM 1062 C SER A 71 21.665 -0.087 14.798 1.00 0.00 C ATOM 1063 O SER A 71 20.469 -0.317 15.004 1.00 0.00 O ATOM 1064 CB SER A 71 23.438 -1.542 15.851 1.00 0.00 C ATOM 1065 OG SER A 71 24.281 -1.752 16.976 1.00 0.00 O ATOM 0 H SER A 71 21.018 -0.610 17.109 1.00 0.00 H new ATOM 0 HA SER A 71 23.405 0.596 15.890 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.726 -2.364 15.773 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.038 -1.553 14.941 1.00 0.00 H new ATOM 0 HG SER A 71 24.747 -2.609 16.880 1.00 0.00 H new ATOM 1071 N ILE A 72 22.134 0.250 13.597 1.00 0.00 N ATOM 1072 CA ILE A 72 21.319 0.366 12.390 1.00 0.00 C ATOM 1073 C ILE A 72 22.139 -0.145 11.186 1.00 0.00 C ATOM 1074 O ILE A 72 23.373 -0.117 11.262 1.00 0.00 O ATOM 1075 CB ILE A 72 20.820 1.819 12.191 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.968 2.854 12.121 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.796 2.206 13.277 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.490 4.237 11.668 1.00 0.00 C ATOM 0 H ILE A 72 23.120 0.456 13.433 1.00 0.00 H new ATOM 0 HA ILE A 72 20.424 -0.249 12.486 1.00 0.00 H new ATOM 0 HB ILE A 72 20.326 1.841 11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.435 2.939 13.102 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.734 2.495 11.433 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.462 3.231 13.114 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.940 1.533 13.226 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.261 2.128 14.260 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.337 4.923 11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 72 21.048 4.162 10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.745 4.612 12.369 1.00 0.00 H new ATOM 1090 N PRO A 73 21.517 -0.601 10.079 1.00 0.00 N ATOM 1091 CA PRO A 73 20.080 -0.768 9.894 1.00 0.00 C ATOM 1092 C PRO A 73 19.554 -1.875 10.807 1.00 0.00 C ATOM 1093 O PRO A 73 20.188 -2.924 10.949 1.00 0.00 O ATOM 1094 CB PRO A 73 19.883 -1.133 8.417 1.00 0.00 C ATOM 1095 CG PRO A 73 21.206 -1.788 8.023 1.00 0.00 C ATOM 1096 CD PRO A 73 22.231 -1.072 8.901 1.00 0.00 C ATOM 0 HA PRO A 73 19.532 0.139 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.043 -1.815 8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.678 -0.251 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.195 -2.861 8.212 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.421 -1.653 6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.039 -1.748 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.685 -0.239 8.365 1.00 0.00 H new ATOM 1104 N THR A 74 18.383 -1.646 11.390 1.00 0.00 N ATOM 1105 CA THR A 74 17.694 -2.640 12.198 1.00 0.00 C ATOM 1106 C THR A 74 16.255 -2.696 11.700 1.00 0.00 C ATOM 1107 O THR A 74 15.664 -1.674 11.348 1.00 0.00 O ATOM 1108 CB THR A 74 17.855 -2.297 13.689 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.208 -2.475 14.050 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.014 -3.196 14.599 1.00 0.00 C ATOM 0 H THR A 74 17.884 -0.760 11.314 1.00 0.00 H new ATOM 0 HA THR A 74 18.115 -3.640 12.098 1.00 0.00 H new ATOM 0 HB THR A 74 17.520 -1.268 13.820 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.649 -1.602 14.106 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.168 -2.907 15.639 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.960 -3.087 14.345 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.314 -4.235 14.462 1.00 0.00 H new ATOM 1118 N LEU A 75 15.703 -3.903 11.624 1.00 0.00 N ATOM 1119 CA LEU A 75 14.438 -4.183 10.976 1.00 0.00 C ATOM 1120 C LEU A 75 13.526 -4.771 12.037 1.00 0.00 C ATOM 1121 O LEU A 75 13.885 -5.764 12.675 1.00 0.00 O ATOM 1122 CB LEU A 75 14.631 -5.161 9.805 1.00 0.00 C ATOM 1123 CG LEU A 75 15.576 -4.680 8.683 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.679 -5.766 7.605 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.141 -3.360 8.039 1.00 0.00 C ATOM 0 H LEU A 75 16.140 -4.733 12.025 1.00 0.00 H new ATOM 0 HA LEU A 75 14.003 -3.276 10.555 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.015 -6.102 10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.655 -5.373 9.368 1.00 0.00 H new ATOM 0 HG LEU A 75 16.545 -4.495 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.346 -5.429 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.074 -6.681 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.690 -5.961 7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.851 -3.084 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.150 -3.478 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.112 -2.577 8.797 1.00 0.00 H new ATOM 1137 N LEU A 76 12.357 -4.169 12.235 1.00 0.00 N ATOM 1138 CA LEU A 76 11.360 -4.648 13.186 1.00 0.00 C ATOM 1139 C LEU A 76 10.193 -5.041 12.309 1.00 0.00 C ATOM 1140 O LEU A 76 9.672 -4.209 11.568 1.00 0.00 O ATOM 1141 CB LEU A 76 10.958 -3.554 14.202 1.00 0.00 C ATOM 1142 CG LEU A 76 11.847 -3.376 15.450 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.691 -4.564 16.404 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.324 -3.177 15.109 1.00 0.00 C ATOM 0 H LEU A 76 12.073 -3.327 11.735 1.00 0.00 H new ATOM 0 HA LEU A 76 11.730 -5.472 13.796 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.926 -2.601 13.674 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.944 -3.766 14.540 1.00 0.00 H new ATOM 0 HG LEU A 76 11.502 -2.465 15.940 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.327 -4.416 17.276 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.651 -4.641 16.722 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.983 -5.482 15.893 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.897 -3.058 16.029 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.692 -4.046 14.563 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.438 -2.286 14.492 1.00 0.00 H new ATOM 1156 N VAL A 77 9.805 -6.306 12.353 1.00 0.00 N ATOM 1157 CA VAL A 77 8.617 -6.768 11.668 1.00 0.00 C ATOM 1158 C VAL A 77 7.537 -6.666 12.728 1.00 0.00 C ATOM 1159 O VAL A 77 7.676 -7.246 13.809 1.00 0.00 O ATOM 1160 CB VAL A 77 8.772 -8.204 11.130 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.697 -8.465 10.065 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.151 -8.472 10.506 1.00 0.00 C ATOM 0 H VAL A 77 10.304 -7.035 12.863 1.00 0.00 H new ATOM 0 HA VAL A 77 8.391 -6.179 10.779 1.00 0.00 H new ATOM 0 HB VAL A 77 8.662 -8.872 11.984 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.803 -9.480 9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.709 -8.346 10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.815 -7.754 9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.194 -9.500 10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.312 -7.789 9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.926 -8.317 11.256 1.00 0.00 H new ATOM 1172 N LEU A 78 6.477 -5.923 12.435 1.00 0.00 N ATOM 1173 CA LEU A 78 5.314 -5.810 13.289 1.00 0.00 C ATOM 1174 C LEU A 78 4.146 -6.424 12.535 1.00 0.00 C ATOM 1175 O LEU A 78 4.142 -6.468 11.302 1.00 0.00 O ATOM 1176 CB LEU A 78 5.029 -4.346 13.687 1.00 0.00 C ATOM 1177 CG LEU A 78 6.107 -3.737 14.611 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.188 -2.983 13.828 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.502 -2.805 15.666 1.00 0.00 C ATOM 0 H LEU A 78 6.406 -5.373 11.579 1.00 0.00 H new ATOM 0 HA LEU A 78 5.483 -6.338 14.227 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.952 -3.741 12.784 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.062 -4.296 14.188 1.00 0.00 H new ATOM 0 HG LEU A 78 6.572 -4.584 15.115 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.922 -2.574 14.523 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.683 -3.668 13.139 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.729 -2.170 13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.297 -2.400 16.293 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.978 -1.987 15.171 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.800 -3.364 16.286 1.00 0.00 H new ATOM 1191 N LYS A 79 3.142 -6.885 13.270 1.00 0.00 N ATOM 1192 CA LYS A 79 1.896 -7.359 12.701 1.00 0.00 C ATOM 1193 C LYS A 79 0.785 -6.821 13.578 1.00 0.00 C ATOM 1194 O LYS A 79 0.785 -7.063 14.783 1.00 0.00 O ATOM 1195 CB LYS A 79 1.900 -8.893 12.598 1.00 0.00 C ATOM 1196 CG LYS A 79 0.617 -9.405 11.937 1.00 0.00 C ATOM 1197 CD LYS A 79 0.651 -10.916 11.678 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.658 -11.348 11.003 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.632 -12.771 10.585 1.00 0.00 N ATOM 0 H LYS A 79 3.174 -6.939 14.288 1.00 0.00 H new ATOM 0 HA LYS A 79 1.751 -7.003 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.765 -9.219 12.021 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.998 -9.327 13.593 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.235 -9.168 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.465 -8.881 10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.501 -11.168 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.784 -11.454 12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.489 -11.189 11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.840 -10.719 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.530 -13.012 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.154 -12.924 9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.502 -13.376 11.421 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.143 -6.088 12.965 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.343 -5.543 13.604 1.00 0.00 C ATOM 1215 C ASP A 80 -1.028 -4.805 14.921 1.00 0.00 C ATOM 1216 O ASP A 80 -1.769 -4.885 15.902 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.407 -6.647 13.739 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.768 -6.103 14.214 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.239 -5.075 13.680 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.409 -6.742 15.080 1.00 0.00 O ATOM 0 H ASP A 80 -0.079 -5.848 11.976 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.764 -4.768 12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.534 -7.144 12.777 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.055 -7.401 14.443 1.00 0.00 H new ATOM 1225 N GLY A 81 0.110 -4.102 14.952 1.00 0.00 N ATOM 1226 CA GLY A 81 0.460 -3.162 16.010 1.00 0.00 C ATOM 1227 C GLY A 81 1.488 -3.670 17.021 1.00 0.00 C ATOM 1228 O GLY A 81 1.873 -2.894 17.898 1.00 0.00 O ATOM 0 H GLY A 81 0.823 -4.176 14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.845 -2.251 15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.449 -2.889 16.546 1.00 0.00 H new ATOM 1232 N GLU A 82 1.957 -4.920 16.930 1.00 0.00 N ATOM 1233 CA GLU A 82 2.931 -5.483 17.864 1.00 0.00 C ATOM 1234 C GLU A 82 4.099 -6.098 17.096 1.00 0.00 C ATOM 1235 O GLU A 82 3.915 -6.559 15.970 1.00 0.00 O ATOM 1236 CB GLU A 82 2.226 -6.492 18.785 1.00 0.00 C ATOM 1237 CG GLU A 82 1.850 -7.838 18.141 1.00 0.00 C ATOM 1238 CD GLU A 82 1.128 -8.753 19.147 1.00 0.00 C ATOM 1239 OE1 GLU A 82 1.799 -9.531 19.863 1.00 0.00 O ATOM 1240 OE2 GLU A 82 -0.122 -8.716 19.229 1.00 0.00 O ATOM 0 H GLU A 82 1.668 -5.571 16.200 1.00 0.00 H new ATOM 0 HA GLU A 82 3.350 -4.699 18.495 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.873 -6.688 19.640 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.318 -6.029 19.172 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.208 -7.664 17.277 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.749 -8.333 17.775 1.00 0.00 H new ATOM 1247 N VAL A 83 5.301 -6.100 17.683 1.00 0.00 N ATOM 1248 CA VAL A 83 6.463 -6.752 17.086 1.00 0.00 C ATOM 1249 C VAL A 83 6.161 -8.239 16.969 1.00 0.00 C ATOM 1250 O VAL A 83 5.726 -8.886 17.926 1.00 0.00 O ATOM 1251 CB VAL A 83 7.754 -6.466 17.881 1.00 0.00 C ATOM 1252 CG1 VAL A 83 8.984 -7.078 17.189 1.00 0.00 C ATOM 1253 CG2 VAL A 83 7.996 -4.956 18.020 1.00 0.00 C ATOM 0 H VAL A 83 5.491 -5.652 18.579 1.00 0.00 H new ATOM 0 HA VAL A 83 6.648 -6.347 16.091 1.00 0.00 H new ATOM 0 HB VAL A 83 7.619 -6.916 18.865 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.877 -6.859 17.774 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.858 -8.158 17.110 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.090 -6.652 16.191 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.913 -4.785 18.585 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.091 -4.510 17.030 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.156 -4.500 18.544 1.00 0.00 H new ATOM 1263 N VAL A 84 6.426 -8.765 15.779 1.00 0.00 N ATOM 1264 CA VAL A 84 6.245 -10.153 15.426 1.00 0.00 C ATOM 1265 C VAL A 84 7.609 -10.771 15.063 1.00 0.00 C ATOM 1266 O VAL A 84 7.758 -11.980 15.252 1.00 0.00 O ATOM 1267 CB VAL A 84 5.118 -10.238 14.367 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.576 -9.903 12.942 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.394 -11.586 14.410 1.00 0.00 C ATOM 0 H VAL A 84 6.788 -8.206 15.007 1.00 0.00 H new ATOM 0 HA VAL A 84 5.898 -10.773 16.253 1.00 0.00 H new ATOM 0 HB VAL A 84 4.408 -9.459 14.646 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.730 -9.985 12.259 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.967 -8.886 12.915 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.357 -10.600 12.638 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.612 -11.603 13.651 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.106 -12.388 14.215 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.948 -11.728 15.394 1.00 0.00 H new ATOM 1279 N GLU A 85 8.630 -9.986 14.657 1.00 0.00 N ATOM 1280 CA GLU A 85 10.009 -10.484 14.506 1.00 0.00 C ATOM 1281 C GLU A 85 10.997 -9.303 14.468 1.00 0.00 C ATOM 1282 O GLU A 85 10.581 -8.155 14.317 1.00 0.00 O ATOM 1283 CB GLU A 85 10.110 -11.374 13.243 1.00 0.00 C ATOM 1284 CG GLU A 85 11.422 -12.144 13.024 1.00 0.00 C ATOM 1285 CD GLU A 85 11.847 -12.968 14.251 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.454 -12.390 15.179 1.00 0.00 O ATOM 1287 OE2 GLU A 85 11.594 -14.194 14.290 1.00 0.00 O ATOM 0 H GLU A 85 8.521 -8.998 14.427 1.00 0.00 H new ATOM 0 HA GLU A 85 10.275 -11.100 15.365 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.296 -12.098 13.275 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.941 -10.742 12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.308 -12.809 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.214 -11.438 12.775 1.00 0.00 H new ATOM 1294 N THR A 86 12.300 -9.571 14.580 1.00 0.00 N ATOM 1295 CA THR A 86 13.377 -8.582 14.514 1.00 0.00 C ATOM 1296 C THR A 86 14.515 -9.145 13.642 1.00 0.00 C ATOM 1297 O THR A 86 14.705 -10.361 13.563 1.00 0.00 O ATOM 1298 CB THR A 86 13.869 -8.267 15.944 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.789 -8.009 16.824 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.807 -7.055 16.005 1.00 0.00 C ATOM 0 H THR A 86 12.646 -10.519 14.725 1.00 0.00 H new ATOM 0 HA THR A 86 13.021 -7.654 14.066 1.00 0.00 H new ATOM 0 HB THR A 86 14.414 -9.159 16.252 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.136 -7.815 17.720 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.117 -6.886 17.036 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.686 -7.244 15.388 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.286 -6.173 15.634 1.00 0.00 H new ATOM 1308 N SER A 87 15.279 -8.277 12.975 1.00 0.00 N ATOM 1309 CA SER A 87 16.523 -8.598 12.278 1.00 0.00 C ATOM 1310 C SER A 87 17.452 -7.376 12.343 1.00 0.00 C ATOM 1311 O SER A 87 16.985 -6.252 12.532 1.00 0.00 O ATOM 1312 CB SER A 87 16.216 -8.997 10.829 1.00 0.00 C ATOM 1313 OG SER A 87 15.543 -10.244 10.793 1.00 0.00 O ATOM 0 H SER A 87 15.036 -7.289 12.904 1.00 0.00 H new ATOM 0 HA SER A 87 17.022 -9.442 12.754 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.601 -8.231 10.356 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.142 -9.060 10.258 1.00 0.00 H new ATOM 0 HG SER A 87 15.311 -10.517 11.705 1.00 0.00 H new ATOM 1319 N VAL A 88 18.764 -7.575 12.196 1.00 0.00 N ATOM 1320 CA VAL A 88 19.771 -6.515 12.264 1.00 0.00 C ATOM 1321 C VAL A 88 20.723 -6.703 11.076 1.00 0.00 C ATOM 1322 O VAL A 88 21.015 -7.839 10.688 1.00 0.00 O ATOM 1323 CB VAL A 88 20.507 -6.570 13.625 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.504 -5.412 13.790 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.541 -6.535 14.822 1.00 0.00 C ATOM 0 H VAL A 88 19.164 -8.497 12.023 1.00 0.00 H new ATOM 0 HA VAL A 88 19.314 -5.527 12.199 1.00 0.00 H new ATOM 0 HB VAL A 88 21.040 -7.521 13.618 1.00 0.00 H new ATOM 0 HG11 VAL A 88 21.997 -5.491 14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.251 -5.460 12.998 1.00 0.00 H new ATOM 0 HG13 VAL A 88 20.972 -4.463 13.730 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.111 -6.576 15.750 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.959 -5.614 14.793 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.868 -7.391 14.771 1.00 0.00 H new ATOM 1335 N GLY A 89 21.219 -5.598 10.515 1.00 0.00 N ATOM 1336 CA GLY A 89 22.147 -5.612 9.395 1.00 0.00 C ATOM 1337 C GLY A 89 21.434 -5.876 8.067 1.00 0.00 C ATOM 1338 O GLY A 89 20.202 -5.949 7.999 1.00 0.00 O ATOM 0 H GLY A 89 20.981 -4.659 10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.668 -4.656 9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.903 -6.379 9.560 1.00 0.00 H new ATOM 1342 N PHE A 90 22.223 -5.982 6.996 1.00 0.00 N ATOM 1343 CA PHE A 90 21.726 -6.274 5.656 1.00 0.00 C ATOM 1344 C PHE A 90 21.083 -7.670 5.615 1.00 0.00 C ATOM 1345 O PHE A 90 21.537 -8.590 6.299 1.00 0.00 O ATOM 1346 CB PHE A 90 22.891 -6.169 4.655 1.00 0.00 C ATOM 1347 CG PHE A 90 22.488 -6.327 3.199 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.120 -5.198 2.443 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.477 -7.602 2.597 1.00 0.00 C ATOM 1350 CE1 PHE A 90 21.721 -5.343 1.101 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.079 -7.747 1.256 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.695 -6.618 0.509 1.00 0.00 C ATOM 0 H PHE A 90 23.235 -5.866 7.038 1.00 0.00 H new ATOM 0 HA PHE A 90 20.958 -5.551 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.376 -5.201 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.632 -6.931 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.144 -4.217 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.775 -8.469 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 90 21.435 -4.475 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 90 22.068 -8.726 0.799 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.381 -6.731 -0.518 1.00 0.00 H new ATOM 1362 N LYS A 91 20.074 -7.843 4.756 1.00 0.00 N ATOM 1363 CA LYS A 91 19.478 -9.127 4.387 1.00 0.00 C ATOM 1364 C LYS A 91 19.148 -9.036 2.897 1.00 0.00 C ATOM 1365 O LYS A 91 18.667 -7.981 2.472 1.00 0.00 O ATOM 1366 CB LYS A 91 18.212 -9.426 5.212 1.00 0.00 C ATOM 1367 CG LYS A 91 18.533 -10.432 6.325 1.00 0.00 C ATOM 1368 CD LYS A 91 17.284 -10.800 7.125 1.00 0.00 C ATOM 1369 CE LYS A 91 17.656 -11.834 8.201 1.00 0.00 C ATOM 1370 NZ LYS A 91 16.491 -12.269 9.011 1.00 0.00 N ATOM 0 H LYS A 91 19.632 -7.057 4.279 1.00 0.00 H new ATOM 0 HA LYS A 91 20.170 -9.943 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.825 -8.504 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.432 -9.826 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.966 -11.333 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.283 -10.009 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.861 -9.910 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.520 -11.207 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.104 -12.704 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.412 -11.408 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.757 -13.092 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.192 -11.492 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.706 -12.528 8.379 1.00 0.00 H new ATOM 1384 N PRO A 92 19.398 -10.091 2.100 1.00 0.00 N ATOM 1385 CA PRO A 92 19.073 -10.077 0.684 1.00 0.00 C ATOM 1386 C PRO A 92 17.563 -10.028 0.472 1.00 0.00 C ATOM 1387 O PRO A 92 16.771 -10.427 1.328 1.00 0.00 O ATOM 1388 CB PRO A 92 19.690 -11.343 0.081 1.00 0.00 C ATOM 1389 CG PRO A 92 19.839 -12.286 1.274 1.00 0.00 C ATOM 1390 CD PRO A 92 20.035 -11.348 2.467 1.00 0.00 C ATOM 0 HA PRO A 92 19.474 -9.189 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 92 19.049 -11.772 -0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.653 -11.135 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.956 -12.912 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.690 -12.956 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.585 -11.764 3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 92 21.094 -11.201 2.678 1.00 0.00 H new ATOM 1398 N LYS A 93 17.177 -9.601 -0.726 1.00 0.00 N ATOM 1399 CA LYS A 93 15.799 -9.438 -1.177 1.00 0.00 C ATOM 1400 C LYS A 93 14.930 -10.661 -0.893 1.00 0.00 C ATOM 1401 O LYS A 93 13.796 -10.547 -0.416 1.00 0.00 O ATOM 1402 CB LYS A 93 15.898 -9.162 -2.682 1.00 0.00 C ATOM 1403 CG LYS A 93 14.548 -8.841 -3.305 1.00 0.00 C ATOM 1404 CD LYS A 93 14.753 -8.405 -4.754 1.00 0.00 C ATOM 1405 CE LYS A 93 13.438 -8.618 -5.508 1.00 0.00 C ATOM 1406 NZ LYS A 93 13.258 -10.016 -5.979 1.00 0.00 N ATOM 0 H LYS A 93 17.852 -9.346 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 93 15.311 -8.626 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.580 -8.329 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.327 -10.031 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.899 -9.715 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.053 -8.050 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.051 -7.357 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.554 -8.983 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.605 -8.350 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.404 -7.945 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.265 -10.166 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.871 -10.187 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.512 -10.675 -5.215 1.00 0.00 H new ATOM 1420 N GLU A 94 15.449 -11.838 -1.217 1.00 0.00 N ATOM 1421 CA GLU A 94 14.699 -13.073 -1.074 1.00 0.00 C ATOM 1422 C GLU A 94 14.574 -13.449 0.410 1.00 0.00 C ATOM 1423 O GLU A 94 13.507 -13.893 0.830 1.00 0.00 O ATOM 1424 CB GLU A 94 15.333 -14.178 -1.932 1.00 0.00 C ATOM 1425 CG GLU A 94 15.446 -13.797 -3.425 1.00 0.00 C ATOM 1426 CD GLU A 94 14.102 -13.403 -4.071 1.00 0.00 C ATOM 1427 OE1 GLU A 94 13.275 -14.301 -4.345 1.00 0.00 O ATOM 1428 OE2 GLU A 94 13.868 -12.193 -4.313 1.00 0.00 O ATOM 0 H GLU A 94 16.393 -11.961 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 94 13.683 -12.937 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.326 -14.405 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.739 -15.087 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.144 -12.966 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.869 -14.638 -3.974 1.00 0.00 H new ATOM 1435 N ALA A 95 15.601 -13.193 1.234 1.00 0.00 N ATOM 1436 CA ALA A 95 15.509 -13.387 2.679 1.00 0.00 C ATOM 1437 C ALA A 95 14.484 -12.435 3.297 1.00 0.00 C ATOM 1438 O ALA A 95 13.769 -12.821 4.218 1.00 0.00 O ATOM 1439 CB ALA A 95 16.871 -13.208 3.358 1.00 0.00 C ATOM 0 H ALA A 95 16.507 -12.849 0.917 1.00 0.00 H new ATOM 0 HA ALA A 95 15.178 -14.412 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.765 -13.359 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.576 -13.936 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.242 -12.201 3.169 1.00 0.00 H new ATOM 1445 N LEU A 96 14.389 -11.204 2.790 1.00 0.00 N ATOM 1446 CA LEU A 96 13.394 -10.242 3.243 1.00 0.00 C ATOM 1447 C LEU A 96 11.989 -10.729 2.918 1.00 0.00 C ATOM 1448 O LEU A 96 11.127 -10.701 3.794 1.00 0.00 O ATOM 1449 CB LEU A 96 13.628 -8.864 2.616 1.00 0.00 C ATOM 1450 CG LEU A 96 14.896 -8.141 3.108 1.00 0.00 C ATOM 1451 CD1 LEU A 96 15.147 -6.913 2.230 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.785 -7.719 4.577 1.00 0.00 C ATOM 0 H LEU A 96 15.001 -10.851 2.055 1.00 0.00 H new ATOM 0 HA LEU A 96 13.495 -10.148 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.688 -8.978 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.763 -8.234 2.823 1.00 0.00 H new ATOM 0 HG LEU A 96 15.732 -8.836 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.044 -6.397 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.283 -7.227 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.293 -6.239 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.702 -7.213 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.940 -7.042 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.635 -8.602 5.199 1.00 0.00 H new ATOM 1464 N GLN A 97 11.751 -11.220 1.700 1.00 0.00 N ATOM 1465 CA GLN A 97 10.460 -11.823 1.375 1.00 0.00 C ATOM 1466 C GLN A 97 10.156 -12.986 2.310 1.00 0.00 C ATOM 1467 O GLN A 97 9.029 -13.106 2.780 1.00 0.00 O ATOM 1468 CB GLN A 97 10.423 -12.333 -0.073 1.00 0.00 C ATOM 1469 CG GLN A 97 10.026 -11.252 -1.080 1.00 0.00 C ATOM 1470 CD GLN A 97 10.637 -11.541 -2.445 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.996 -12.063 -3.351 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.914 -11.231 -2.583 1.00 0.00 N ATOM 0 H GLN A 97 12.425 -11.212 0.934 1.00 0.00 H new ATOM 0 HA GLN A 97 9.708 -11.044 1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.404 -12.726 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.718 -13.162 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.940 -11.207 -1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.359 -10.277 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.420 -10.797 -1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.394 -11.425 -3.462 1.00 0.00 H new ATOM 1481 N GLU A 98 11.144 -13.830 2.600 1.00 0.00 N ATOM 1482 CA GLU A 98 10.943 -14.987 3.465 1.00 0.00 C ATOM 1483 C GLU A 98 10.589 -14.540 4.884 1.00 0.00 C ATOM 1484 O GLU A 98 9.697 -15.115 5.504 1.00 0.00 O ATOM 1485 CB GLU A 98 12.174 -15.908 3.454 1.00 0.00 C ATOM 1486 CG GLU A 98 12.275 -16.763 2.181 1.00 0.00 C ATOM 1487 CD GLU A 98 11.215 -17.880 2.141 1.00 0.00 C ATOM 1488 OE1 GLU A 98 11.461 -18.975 2.696 1.00 0.00 O ATOM 1489 OE2 GLU A 98 10.137 -17.685 1.537 1.00 0.00 O ATOM 0 H GLU A 98 12.096 -13.732 2.246 1.00 0.00 H new ATOM 0 HA GLU A 98 10.104 -15.564 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.075 -15.302 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.137 -16.564 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.159 -16.123 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.269 -17.206 2.122 1.00 0.00 H new ATOM 1496 N LEU A 99 11.230 -13.481 5.381 1.00 0.00 N ATOM 1497 CA LEU A 99 10.960 -12.888 6.673 1.00 0.00 C ATOM 1498 C LEU A 99 9.522 -12.362 6.734 1.00 0.00 C ATOM 1499 O LEU A 99 8.830 -12.623 7.713 1.00 0.00 O ATOM 1500 CB LEU A 99 12.013 -11.791 6.896 1.00 0.00 C ATOM 1501 CG LEU A 99 11.803 -10.964 8.164 1.00 0.00 C ATOM 1502 CD1 LEU A 99 11.859 -11.839 9.419 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.879 -9.875 8.226 1.00 0.00 C ATOM 0 H LEU A 99 11.974 -13.004 4.872 1.00 0.00 H new ATOM 0 HA LEU A 99 11.036 -13.622 7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.999 -12.254 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.011 -11.122 6.036 1.00 0.00 H new ATOM 0 HG LEU A 99 10.813 -10.510 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.706 -11.219 10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.078 -12.598 9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.833 -12.324 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.740 -9.277 9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.865 -10.339 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.798 -9.233 7.349 1.00 0.00 H new ATOM 1515 N VAL A 100 9.041 -11.680 5.691 1.00 0.00 N ATOM 1516 CA VAL A 100 7.642 -11.268 5.592 1.00 0.00 C ATOM 1517 C VAL A 100 6.742 -12.514 5.590 1.00 0.00 C ATOM 1518 O VAL A 100 5.732 -12.563 6.296 1.00 0.00 O ATOM 1519 CB VAL A 100 7.441 -10.406 4.325 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.974 -9.987 4.132 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.296 -9.127 4.325 1.00 0.00 C ATOM 0 H VAL A 100 9.611 -11.399 4.893 1.00 0.00 H new ATOM 0 HA VAL A 100 7.366 -10.658 6.452 1.00 0.00 H new ATOM 0 HB VAL A 100 7.758 -11.051 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.884 -9.383 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.351 -10.876 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.646 -9.404 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.110 -8.565 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.033 -8.514 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.351 -9.395 4.378 1.00 0.00 H new ATOM 1531 N ASN A 101 7.123 -13.540 4.825 1.00 0.00 N ATOM 1532 CA ASN A 101 6.336 -14.748 4.590 1.00 0.00 C ATOM 1533 C ASN A 101 6.048 -15.509 5.884 1.00 0.00 C ATOM 1534 O ASN A 101 4.996 -16.138 5.992 1.00 0.00 O ATOM 1535 CB ASN A 101 7.044 -15.660 3.577 1.00 0.00 C ATOM 1536 CG ASN A 101 6.089 -16.696 2.998 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.914 -17.784 3.542 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.465 -16.379 1.877 1.00 0.00 N ATOM 0 H ASN A 101 8.018 -13.551 4.337 1.00 0.00 H new ATOM 0 HA ASN A 101 5.376 -14.435 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.460 -15.056 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.880 -16.164 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.823 -17.043 1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.626 -15.470 1.443 1.00 0.00 H new ATOM 1545 N LYS A 102 6.927 -15.401 6.892 1.00 0.00 N ATOM 1546 CA LYS A 102 6.706 -15.980 8.222 1.00 0.00 C ATOM 1547 C LYS A 102 5.403 -15.492 8.865 1.00 0.00 C ATOM 1548 O LYS A 102 4.873 -16.190 9.732 1.00 0.00 O ATOM 1549 CB LYS A 102 7.859 -15.632 9.182 1.00 0.00 C ATOM 1550 CG LYS A 102 9.233 -16.192 8.798 1.00 0.00 C ATOM 1551 CD LYS A 102 10.267 -15.885 9.894 1.00 0.00 C ATOM 1552 CE LYS A 102 11.684 -16.337 9.507 1.00 0.00 C ATOM 1553 NZ LYS A 102 11.827 -17.815 9.444 1.00 0.00 N ATOM 0 H LYS A 102 7.815 -14.907 6.805 1.00 0.00 H new ATOM 0 HA LYS A 102 6.650 -17.057 8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.935 -14.547 9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.603 -15.997 10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.164 -17.269 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.557 -15.758 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.273 -14.814 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.970 -16.381 10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.943 -15.911 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.396 -15.939 10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.803 -18.058 9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.609 -18.225 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.170 -18.197 8.735 1.00 0.00 H new ATOM 1567 N HIS A 103 4.890 -14.322 8.469 1.00 0.00 N ATOM 1568 CA HIS A 103 3.804 -13.639 9.168 1.00 0.00 C ATOM 1569 C HIS A 103 2.590 -13.354 8.280 1.00 0.00 C ATOM 1570 O HIS A 103 1.553 -12.946 8.807 1.00 0.00 O ATOM 1571 CB HIS A 103 4.359 -12.346 9.781 1.00 0.00 C ATOM 1572 CG HIS A 103 5.614 -12.572 10.585 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.731 -13.331 11.729 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.872 -12.156 10.246 1.00 0.00 C ATOM 1575 CE1 HIS A 103 7.027 -13.349 12.080 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.766 -12.646 11.203 1.00 0.00 N ATOM 0 H HIS A 103 5.223 -13.820 7.646 1.00 0.00 H new ATOM 0 HA HIS A 103 3.434 -14.304 9.949 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.567 -11.632 8.984 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.599 -11.897 10.421 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.969 -13.796 12.222 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.130 -11.553 9.388 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.422 -13.858 12.947 1.00 0.00 H new ATOM 1584 N LEU A 104 2.688 -13.564 6.962 1.00 0.00 N ATOM 1585 CA LEU A 104 1.538 -13.499 6.065 1.00 0.00 C ATOM 1586 C LEU A 104 0.485 -14.505 6.520 1.00 0.00 C ATOM 1587 O LEU A 104 0.843 -15.664 6.817 1.00 0.00 O ATOM 1588 CB LEU A 104 1.933 -13.770 4.603 1.00 0.00 C ATOM 1589 CG LEU A 104 2.843 -12.712 3.958 1.00 0.00 C ATOM 1590 CD1 LEU A 104 3.113 -13.103 2.503 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.241 -11.302 4.004 1.00 0.00 C ATOM 1592 OXT LEU A 104 -0.708 -14.143 6.543 1.00 0.00 O ATOM 0 H LEU A 104 3.567 -13.783 6.492 1.00 0.00 H new ATOM 0 HA LEU A 104 1.131 -12.489 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.436 -14.736 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.023 -13.853 4.008 1.00 0.00 H new ATOM 0 HG LEU A 104 3.769 -12.684 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.758 -12.357 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.604 -14.076 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.170 -13.155 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.928 -10.598 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.291 -11.294 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.076 -11.011 5.041 1.00 0.00 H new TER 1604 LEU A 104