USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 946 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 MET CE :methyl 161:sc= -0.108 (180deg=-0.567) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.15 (180deg=0.0463!) USER MOD Single : A 2 LYS NZ :NH3+ -126:sc= 1.22 (180deg=-0.183) USER MOD Single : A 3 SER OG : rot -174:sc= 0.383 USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00248) USER MOD Single : A 18 MET CE :methyl -155:sc= -1.14 (180deg=-1.82!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 14:sc= 0.704 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= 0.913 (180deg=0.637) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= 2.49 (180deg=1.77) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc=-0.00761 (180deg=-0.102) USER MOD Single : A 51 HIS : no HD1:sc= 0.928 K(o=0.93,f=-4.9!) USER MOD Single : A 54 CYS SG : rot 43:sc= -0.919 USER MOD Single : B 1 MET CE :methyl 158:sc= -0.177 (180deg=-0.715) USER MOD Single : B 1 MET N :NH3+ -165:sc= 1.15 (180deg=0.509) USER MOD Single : B 2 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.0752) USER MOD Single : B 3 SER OG : rot 140:sc= 0.0173 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 MET CE :methyl -136:sc= -3.08! (180deg=-3.46!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 61:sc= 0.385 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 159:sc= 0.734 (180deg=0.575) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 2.28 (180deg=2.28) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5.6!) USER MOD Single : B 54 CYS SG : rot 43:sc= -0.996 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.698 -10.463 -4.655 1.00 2.66 N ATOM 2 CA MET A 1 -8.498 -11.323 -4.742 1.00 2.32 C ATOM 3 C MET A 1 -7.567 -10.827 -5.845 1.00 1.80 C ATOM 4 O MET A 1 -7.803 -11.065 -7.028 1.00 2.36 O ATOM 5 CB MET A 1 -8.909 -12.774 -5.015 1.00 2.85 C ATOM 6 CG MET A 1 -7.740 -13.747 -5.064 1.00 3.24 C ATOM 7 SD MET A 1 -8.265 -15.454 -5.323 1.00 3.98 S ATOM 8 CE MET A 1 -9.031 -15.327 -6.938 1.00 4.57 C ATOM 0 H1 MET A 1 -10.105 -10.531 -3.701 1.00 2.66 H new ATOM 0 H2 MET A 1 -9.433 -9.476 -4.849 1.00 2.66 H new ATOM 0 H3 MET A 1 -10.401 -10.776 -5.355 1.00 2.66 H new ATOM 0 HA MET A 1 -7.968 -11.278 -3.791 1.00 2.32 H new ATOM 0 HB2 MET A 1 -9.605 -13.096 -4.240 1.00 2.85 H new ATOM 0 HB3 MET A 1 -9.445 -12.817 -5.963 1.00 2.85 H new ATOM 0 HG2 MET A 1 -7.062 -13.454 -5.866 1.00 3.24 H new ATOM 0 HG3 MET A 1 -7.179 -13.681 -4.132 1.00 3.24 H new ATOM 0 HE1 MET A 1 -9.102 -16.318 -7.386 1.00 4.57 H new ATOM 0 HE2 MET A 1 -10.030 -14.904 -6.835 1.00 4.57 H new ATOM 0 HE3 MET A 1 -8.428 -14.682 -7.577 1.00 4.57 H new ATOM 20 N LYS A 2 -6.525 -10.111 -5.447 1.00 1.18 N ATOM 21 CA LYS A 2 -5.530 -9.599 -6.384 1.00 0.75 C ATOM 22 C LYS A 2 -4.300 -10.509 -6.407 1.00 0.67 C ATOM 23 O LYS A 2 -4.370 -11.656 -5.965 1.00 1.02 O ATOM 24 CB LYS A 2 -5.153 -8.172 -5.990 1.00 0.88 C ATOM 25 CG LYS A 2 -6.323 -7.204 -6.118 1.00 0.85 C ATOM 26 CD LYS A 2 -5.894 -5.767 -5.903 1.00 1.06 C ATOM 27 CE LYS A 2 -5.296 -5.158 -7.161 1.00 1.13 C ATOM 28 NZ LYS A 2 -6.316 -4.893 -8.210 1.00 1.88 N ATOM 0 H LYS A 2 -6.344 -9.869 -4.473 1.00 1.18 H new ATOM 0 HA LYS A 2 -5.949 -9.586 -7.390 1.00 0.75 H new ATOM 0 HB2 LYS A 2 -4.791 -8.166 -4.962 1.00 0.88 H new ATOM 0 HB3 LYS A 2 -4.331 -7.830 -6.619 1.00 0.88 H new ATOM 0 HG2 LYS A 2 -6.771 -7.305 -7.106 1.00 0.85 H new ATOM 0 HG3 LYS A 2 -7.092 -7.466 -5.391 1.00 0.85 H new ATOM 0 HD2 LYS A 2 -6.753 -5.175 -5.587 1.00 1.06 H new ATOM 0 HD3 LYS A 2 -5.163 -5.724 -5.096 1.00 1.06 H new ATOM 0 HE2 LYS A 2 -4.793 -4.225 -6.905 1.00 1.13 H new ATOM 0 HE3 LYS A 2 -4.537 -5.830 -7.560 1.00 1.13 H new ATOM 0 HZ1 LYS A 2 -6.027 -5.350 -9.098 1.00 1.88 H new ATOM 0 HZ2 LYS A 2 -7.234 -5.276 -7.906 1.00 1.88 H new ATOM 0 HZ3 LYS A 2 -6.401 -3.867 -8.360 1.00 1.88 H new ATOM 42 N SER A 3 -3.183 -9.996 -6.922 1.00 0.47 N ATOM 43 CA SER A 3 -1.931 -10.757 -6.984 1.00 0.43 C ATOM 44 C SER A 3 -1.545 -11.292 -5.608 1.00 0.35 C ATOM 45 O SER A 3 -1.105 -12.432 -5.472 1.00 0.42 O ATOM 46 CB SER A 3 -0.812 -9.879 -7.542 1.00 0.48 C ATOM 47 OG SER A 3 0.413 -10.580 -7.613 1.00 0.84 O ATOM 0 H SER A 3 -3.118 -9.053 -7.304 1.00 0.47 H new ATOM 0 HA SER A 3 -2.082 -11.609 -7.647 1.00 0.43 H new ATOM 0 HB2 SER A 3 -1.087 -9.525 -8.535 1.00 0.48 H new ATOM 0 HB3 SER A 3 -0.692 -8.998 -6.912 1.00 0.48 H new ATOM 0 HG SER A 3 1.128 -9.964 -7.877 1.00 0.84 H new ATOM 53 N ILE A 4 -1.707 -10.459 -4.591 1.00 0.31 N ATOM 54 CA ILE A 4 -1.503 -10.901 -3.223 1.00 0.29 C ATOM 55 C ILE A 4 -2.819 -11.437 -2.687 1.00 0.30 C ATOM 56 O ILE A 4 -2.860 -12.363 -1.880 1.00 0.36 O ATOM 57 CB ILE A 4 -1.019 -9.753 -2.315 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.141 -8.776 -3.102 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.257 -10.321 -1.126 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.439 -7.659 -2.260 1.00 0.27 C ATOM 0 H ILE A 4 -1.977 -9.480 -4.687 1.00 0.31 H new ATOM 0 HA ILE A 4 -0.734 -11.673 -3.223 1.00 0.29 H new ATOM 0 HB ILE A 4 -1.887 -9.205 -1.948 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.675 -9.329 -3.567 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.731 -8.341 -3.909 1.00 0.30 H new ATOM 0 HG21 ILE A 4 0.083 -9.505 -0.488 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -0.912 -10.980 -0.555 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.605 -10.886 -1.482 1.00 0.32 H new ATOM 0 HD11 ILE A 4 1.049 -7.009 -2.888 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.371 -7.080 -1.816 1.00 0.27 H new ATOM 0 HD13 ILE A 4 1.057 -8.083 -1.469 1.00 0.27 H new ATOM 72 N GLY A 5 -3.895 -10.830 -3.174 1.00 0.32 N ATOM 73 CA GLY A 5 -5.231 -11.244 -2.809 1.00 0.35 C ATOM 74 C GLY A 5 -5.511 -11.050 -1.343 1.00 0.31 C ATOM 75 O GLY A 5 -6.212 -11.851 -0.726 1.00 0.42 O ATOM 0 H GLY A 5 -3.860 -10.046 -3.826 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -5.956 -10.677 -3.393 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.366 -12.295 -3.066 1.00 0.35 H new ATOM 79 N VAL A 6 -4.953 -9.998 -0.779 1.00 0.22 N ATOM 80 CA VAL A 6 -5.170 -9.702 0.621 1.00 0.21 C ATOM 81 C VAL A 6 -5.738 -8.307 0.791 1.00 0.20 C ATOM 82 O VAL A 6 -5.334 -7.364 0.106 1.00 0.24 O ATOM 83 CB VAL A 6 -3.886 -9.849 1.471 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.475 -11.309 1.573 1.00 0.27 C ATOM 85 CG2 VAL A 6 -2.751 -9.017 0.899 1.00 0.19 C ATOM 0 H VAL A 6 -4.349 -9.337 -1.267 1.00 0.22 H new ATOM 0 HA VAL A 6 -5.888 -10.438 0.983 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.105 -9.479 2.473 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.570 -11.391 2.175 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.276 -11.880 2.042 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.284 -11.704 0.575 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -1.862 -9.140 1.517 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.535 -9.346 -0.117 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.041 -7.966 0.886 1.00 0.19 H new ATOM 95 N VAL A 7 -6.671 -8.202 1.720 1.00 0.17 N ATOM 96 CA VAL A 7 -7.343 -6.954 2.002 1.00 0.16 C ATOM 97 C VAL A 7 -7.135 -6.595 3.462 1.00 0.19 C ATOM 98 O VAL A 7 -7.069 -7.468 4.328 1.00 0.29 O ATOM 99 CB VAL A 7 -8.857 -7.016 1.667 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.557 -8.104 2.470 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.523 -5.664 1.898 1.00 0.16 C ATOM 0 H VAL A 7 -6.982 -8.982 2.299 1.00 0.17 H new ATOM 0 HA VAL A 7 -6.911 -6.182 1.365 1.00 0.16 H new ATOM 0 HB VAL A 7 -8.950 -7.267 0.610 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.616 -8.122 2.213 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.111 -9.071 2.238 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.446 -7.899 3.535 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.583 -5.735 1.656 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.408 -5.375 2.943 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.055 -4.914 1.261 1.00 0.16 H new ATOM 111 N ARG A 8 -6.982 -5.316 3.725 1.00 0.15 N ATOM 112 CA ARG A 8 -6.755 -4.837 5.066 1.00 0.16 C ATOM 113 C ARG A 8 -7.841 -3.864 5.443 1.00 0.15 C ATOM 114 O ARG A 8 -8.397 -3.190 4.582 1.00 0.16 O ATOM 115 CB ARG A 8 -5.387 -4.158 5.189 1.00 0.16 C ATOM 116 CG ARG A 8 -4.288 -5.090 5.677 1.00 0.25 C ATOM 117 CD ARG A 8 -4.135 -6.315 4.791 1.00 0.34 C ATOM 118 NE ARG A 8 -3.250 -7.314 5.388 1.00 0.81 N ATOM 119 CZ ARG A 8 -3.677 -8.478 5.878 1.00 0.85 C ATOM 120 NH1 ARG A 8 -4.965 -8.797 5.795 1.00 0.79 N ATOM 121 NH2 ARG A 8 -2.821 -9.333 6.430 1.00 1.43 N ATOM 0 H ARG A 8 -7.012 -4.583 3.017 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.771 -5.691 5.743 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.103 -3.752 4.218 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.469 -3.315 5.875 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.343 -4.548 5.710 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.509 -5.407 6.696 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.115 -6.758 4.613 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -3.740 -6.014 3.821 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.252 -7.109 5.432 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -5.623 -8.152 5.357 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -5.295 -9.687 6.169 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -1.829 -9.100 6.481 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -3.156 -10.221 6.802 1.00 1.43 H new ATOM 135 N LYS A 9 -8.181 -3.837 6.711 1.00 0.17 N ATOM 136 CA LYS A 9 -9.067 -2.822 7.216 1.00 0.18 C ATOM 137 C LYS A 9 -8.256 -1.804 7.988 1.00 0.20 C ATOM 138 O LYS A 9 -7.471 -2.163 8.872 1.00 0.24 O ATOM 139 CB LYS A 9 -10.173 -3.438 8.075 1.00 0.20 C ATOM 140 CG LYS A 9 -10.980 -4.508 7.346 1.00 0.21 C ATOM 141 CD LYS A 9 -11.436 -4.027 5.977 1.00 0.23 C ATOM 142 CE LYS A 9 -12.185 -5.103 5.209 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.521 -5.389 5.795 1.00 1.22 N ATOM 0 H LYS A 9 -7.856 -4.507 7.408 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.562 -2.320 6.385 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.728 -3.875 8.969 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.847 -2.649 8.408 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.375 -5.408 7.234 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.849 -4.781 7.945 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -12.078 -3.155 6.096 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.569 -3.708 5.399 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.305 -4.789 4.172 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -11.592 -6.018 5.198 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -14.000 -6.117 5.227 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -13.406 -5.731 6.771 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -14.092 -4.520 5.797 1.00 1.22 H new ATOM 157 N VAL A 10 -8.423 -0.549 7.612 1.00 0.19 N ATOM 158 CA VAL A 10 -7.643 0.547 8.156 1.00 0.19 C ATOM 159 C VAL A 10 -7.714 0.604 9.685 1.00 0.20 C ATOM 160 O VAL A 10 -8.731 0.265 10.296 1.00 0.22 O ATOM 161 CB VAL A 10 -8.098 1.889 7.516 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.847 3.078 8.426 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.379 2.103 6.195 1.00 0.24 C ATOM 0 H VAL A 10 -9.109 -0.260 6.915 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.597 0.374 7.903 1.00 0.19 H new ATOM 0 HB VAL A 10 -9.173 1.819 7.353 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -8.182 3.991 7.933 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -8.397 2.946 9.358 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.781 3.152 8.642 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.703 3.045 5.753 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.303 2.134 6.367 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -7.614 1.284 5.516 1.00 0.24 H new ATOM 173 N ASP A 11 -6.588 0.964 10.291 1.00 0.21 N ATOM 174 CA ASP A 11 -6.513 1.218 11.721 1.00 0.24 C ATOM 175 C ASP A 11 -7.523 2.272 12.117 1.00 0.25 C ATOM 176 O ASP A 11 -8.429 2.015 12.912 1.00 0.33 O ATOM 177 CB ASP A 11 -5.096 1.686 12.061 1.00 0.30 C ATOM 178 CG ASP A 11 -4.994 2.450 13.366 1.00 1.07 C ATOM 179 OD1 ASP A 11 -5.124 1.834 14.441 1.00 1.75 O ATOM 180 OD2 ASP A 11 -4.738 3.673 13.313 1.00 1.88 O ATOM 0 H ASP A 11 -5.701 1.088 9.802 1.00 0.21 H new ATOM 0 HA ASP A 11 -6.741 0.305 12.271 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.439 0.817 12.109 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -4.730 2.318 11.252 1.00 0.30 H new ATOM 185 N GLU A 12 -7.368 3.442 11.524 1.00 0.26 N ATOM 186 CA GLU A 12 -8.215 4.584 11.814 1.00 0.27 C ATOM 187 C GLU A 12 -7.692 5.780 11.050 1.00 0.26 C ATOM 188 O GLU A 12 -8.419 6.475 10.346 1.00 0.30 O ATOM 189 CB GLU A 12 -8.176 4.867 13.309 1.00 0.33 C ATOM 190 CG GLU A 12 -9.486 5.343 13.864 1.00 0.47 C ATOM 191 CD GLU A 12 -9.698 6.831 13.679 1.00 0.91 C ATOM 192 OE1 GLU A 12 -9.060 7.613 14.416 1.00 1.42 O ATOM 193 OE2 GLU A 12 -10.497 7.222 12.807 1.00 1.69 O ATOM 0 H GLU A 12 -6.648 3.627 10.825 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.243 4.380 11.516 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.876 3.960 13.834 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -7.412 5.618 13.508 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -10.299 4.802 13.379 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -9.533 5.104 14.926 1.00 0.47 H new ATOM 200 N LEU A 13 -6.399 5.979 11.192 1.00 0.24 N ATOM 201 CA LEU A 13 -5.690 7.050 10.521 1.00 0.26 C ATOM 202 C LEU A 13 -5.501 6.726 9.046 1.00 0.26 C ATOM 203 O LEU A 13 -5.367 7.616 8.208 1.00 0.55 O ATOM 204 CB LEU A 13 -4.326 7.191 11.175 1.00 0.40 C ATOM 205 CG LEU A 13 -4.337 7.486 12.670 1.00 0.38 C ATOM 206 CD1 LEU A 13 -3.001 7.096 13.272 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.628 8.957 12.923 1.00 0.55 C ATOM 0 H LEU A 13 -5.804 5.397 11.782 1.00 0.24 H new ATOM 0 HA LEU A 13 -6.263 7.974 10.602 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.767 6.270 11.009 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.782 7.989 10.670 1.00 0.40 H new ATOM 0 HG LEU A 13 -5.126 6.901 13.143 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -3.008 7.307 14.341 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.827 6.032 13.113 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -2.206 7.669 12.795 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.632 9.148 13.996 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -3.859 9.567 12.449 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.602 9.212 12.506 1.00 0.55 H new ATOM 219 N GLY A 14 -5.508 5.437 8.745 1.00 0.21 N ATOM 220 CA GLY A 14 -5.165 4.972 7.417 1.00 0.16 C ATOM 221 C GLY A 14 -4.039 3.961 7.472 1.00 0.12 C ATOM 222 O GLY A 14 -3.569 3.475 6.449 1.00 0.11 O ATOM 0 H GLY A 14 -5.748 4.697 9.405 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.040 4.522 6.948 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.870 5.818 6.796 1.00 0.16 H new ATOM 226 N ARG A 15 -3.603 3.648 8.688 1.00 0.12 N ATOM 227 CA ARG A 15 -2.529 2.687 8.893 1.00 0.13 C ATOM 228 C ARG A 15 -3.050 1.274 8.650 1.00 0.11 C ATOM 229 O ARG A 15 -4.077 0.892 9.203 1.00 0.13 O ATOM 230 CB ARG A 15 -1.986 2.768 10.327 1.00 0.17 C ATOM 231 CG ARG A 15 -1.786 4.178 10.857 1.00 0.21 C ATOM 232 CD ARG A 15 -1.087 4.161 12.210 1.00 0.28 C ATOM 233 NE ARG A 15 -1.889 3.485 13.234 1.00 1.31 N ATOM 234 CZ ARG A 15 -1.377 2.763 14.234 1.00 1.71 C ATOM 235 NH1 ARG A 15 -0.060 2.642 14.373 1.00 1.58 N ATOM 236 NH2 ARG A 15 -2.191 2.163 15.098 1.00 2.72 N ATOM 0 H ARG A 15 -3.979 4.048 9.548 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.727 2.923 8.193 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.672 2.240 10.990 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -1.033 2.241 10.369 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -1.196 4.757 10.146 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.751 4.676 10.949 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.124 3.660 12.114 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -0.884 5.184 12.526 1.00 0.28 H new ATOM 0 HE ARG A 15 -2.904 3.572 13.179 1.00 1.31 H new ATOM 0 HH11 ARG A 15 0.567 3.102 13.713 1.00 1.58 H new ATOM 0 HH12 ARG A 15 0.323 2.089 15.139 1.00 1.58 H new ATOM 0 HH21 ARG A 15 -3.202 2.255 14.995 1.00 2.72 H new ATOM 0 HH22 ARG A 15 -1.805 1.610 15.863 1.00 2.72 H new ATOM 250 N ILE A 16 -2.361 0.510 7.817 1.00 0.10 N ATOM 251 CA ILE A 16 -2.751 -0.872 7.554 1.00 0.10 C ATOM 252 C ILE A 16 -1.515 -1.765 7.590 1.00 0.09 C ATOM 253 O ILE A 16 -0.408 -1.290 7.835 1.00 0.10 O ATOM 254 CB ILE A 16 -3.495 -1.036 6.201 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.506 -1.155 5.042 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.452 0.125 5.967 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.154 -1.104 3.674 1.00 0.16 C ATOM 0 H ILE A 16 -1.531 0.819 7.311 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.451 -1.171 8.335 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.075 -1.957 6.248 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.775 -0.350 5.117 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -1.959 -2.093 5.139 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -4.962 -0.011 5.013 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.188 0.158 6.771 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.892 1.060 5.949 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.387 -1.195 2.905 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.864 -1.925 3.577 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.678 -0.155 3.555 1.00 0.16 H new ATOM 269 N VAL A 17 -1.694 -3.050 7.349 1.00 0.09 N ATOM 270 CA VAL A 17 -0.590 -3.987 7.455 1.00 0.10 C ATOM 271 C VAL A 17 -0.244 -4.579 6.095 1.00 0.11 C ATOM 272 O VAL A 17 -1.023 -5.334 5.508 1.00 0.16 O ATOM 273 CB VAL A 17 -0.871 -5.110 8.490 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.235 -5.740 8.277 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.216 -6.175 8.445 1.00 0.16 C ATOM 0 H VAL A 17 -2.585 -3.467 7.081 1.00 0.09 H new ATOM 0 HA VAL A 17 0.271 -3.425 7.816 1.00 0.10 H new ATOM 0 HB VAL A 17 -0.866 -4.648 9.477 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.395 -6.521 9.020 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -3.008 -4.978 8.379 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.283 -6.174 7.278 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.004 -6.950 9.179 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.251 -6.617 7.449 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.180 -5.721 8.674 1.00 0.16 H new ATOM 285 N MET A 18 0.919 -4.206 5.590 1.00 0.09 N ATOM 286 CA MET A 18 1.402 -4.746 4.328 1.00 0.09 C ATOM 287 C MET A 18 2.075 -6.084 4.607 1.00 0.09 C ATOM 288 O MET A 18 2.694 -6.254 5.657 1.00 0.15 O ATOM 289 CB MET A 18 2.375 -3.777 3.645 1.00 0.12 C ATOM 290 CG MET A 18 1.875 -2.337 3.590 1.00 0.17 C ATOM 291 SD MET A 18 0.227 -2.186 2.868 1.00 0.84 S ATOM 292 CE MET A 18 0.509 -2.787 1.207 1.00 0.61 C ATOM 0 H MET A 18 1.546 -3.533 6.032 1.00 0.09 H new ATOM 0 HA MET A 18 0.563 -4.886 3.646 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.328 -3.801 4.174 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.566 -4.124 2.630 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.862 -1.924 4.599 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.576 -1.737 3.009 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.237 -2.363 0.535 1.00 0.61 H new ATOM 0 HE2 MET A 18 1.505 -2.491 0.877 1.00 0.61 H new ATOM 0 HE3 MET A 18 0.431 -3.874 1.195 1.00 0.61 H new ATOM 302 N PRO A 19 1.968 -7.057 3.696 1.00 0.09 N ATOM 303 CA PRO A 19 2.365 -8.418 3.983 1.00 0.11 C ATOM 304 C PRO A 19 3.830 -8.721 3.679 1.00 0.12 C ATOM 305 O PRO A 19 4.537 -7.954 3.001 1.00 0.12 O ATOM 306 CB PRO A 19 1.449 -9.235 3.076 1.00 0.13 C ATOM 307 CG PRO A 19 1.106 -8.345 1.926 1.00 0.14 C ATOM 308 CD PRO A 19 1.481 -6.923 2.319 1.00 0.12 C ATOM 0 HA PRO A 19 2.274 -8.640 5.046 1.00 0.11 H new ATOM 0 HB2 PRO A 19 1.948 -10.141 2.732 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.551 -9.548 3.609 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.647 -8.650 1.030 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.043 -8.411 1.694 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.249 -6.515 1.661 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.623 -6.253 2.262 1.00 0.12 H new ATOM 316 N ILE A 20 4.279 -9.855 4.201 1.00 0.16 N ATOM 317 CA ILE A 20 5.601 -10.379 3.911 1.00 0.18 C ATOM 318 C ILE A 20 5.850 -10.420 2.410 1.00 0.17 C ATOM 319 O ILE A 20 6.958 -10.178 1.964 1.00 0.18 O ATOM 320 CB ILE A 20 5.768 -11.796 4.504 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.131 -12.397 4.138 1.00 0.29 C ATOM 322 CG2 ILE A 20 4.632 -12.701 4.040 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.317 -11.637 4.700 1.00 0.32 C ATOM 0 H ILE A 20 3.734 -10.436 4.838 1.00 0.16 H new ATOM 0 HA ILE A 20 6.331 -9.713 4.371 1.00 0.18 H new ATOM 0 HB ILE A 20 5.726 -11.716 5.590 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.170 -13.426 4.497 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.219 -12.434 3.052 1.00 0.29 H new ATOM 0 HG21 ILE A 20 4.763 -13.696 4.465 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.679 -12.287 4.370 1.00 0.26 H new ATOM 0 HG23 ILE A 20 4.641 -12.768 2.952 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.241 -12.128 4.395 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.307 -10.615 4.321 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.257 -11.622 5.788 1.00 0.32 H new ATOM 335 N GLU A 21 4.803 -10.703 1.647 1.00 0.17 N ATOM 336 CA GLU A 21 4.870 -10.738 0.188 1.00 0.18 C ATOM 337 C GLU A 21 5.434 -9.443 -0.352 1.00 0.16 C ATOM 338 O GLU A 21 6.233 -9.439 -1.278 1.00 0.18 O ATOM 339 CB GLU A 21 3.477 -10.915 -0.373 1.00 0.21 C ATOM 340 CG GLU A 21 2.518 -11.504 0.641 1.00 0.20 C ATOM 341 CD GLU A 21 2.437 -13.012 0.549 1.00 0.35 C ATOM 342 OE1 GLU A 21 3.506 -13.661 0.526 1.00 1.27 O ATOM 343 OE2 GLU A 21 1.314 -13.555 0.527 1.00 0.96 O ATOM 0 H GLU A 21 3.879 -10.916 2.022 1.00 0.17 H new ATOM 0 HA GLU A 21 5.515 -11.566 -0.106 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.098 -9.950 -0.710 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.520 -11.563 -1.248 1.00 0.21 H new ATOM 0 HG2 GLU A 21 2.835 -11.220 1.645 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.526 -11.079 0.488 1.00 0.20 H new ATOM 350 N LEU A 22 5.013 -8.349 0.260 1.00 0.14 N ATOM 351 CA LEU A 22 5.449 -7.030 -0.139 1.00 0.15 C ATOM 352 C LEU A 22 6.916 -6.867 0.194 1.00 0.15 C ATOM 353 O LEU A 22 7.697 -6.363 -0.605 1.00 0.16 O ATOM 354 CB LEU A 22 4.598 -5.964 0.571 1.00 0.18 C ATOM 355 CG LEU A 22 5.310 -4.648 0.894 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.392 -3.465 0.626 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.764 -4.639 2.351 1.00 0.32 C ATOM 0 H LEU A 22 4.361 -8.354 1.045 1.00 0.14 H new ATOM 0 HA LEU A 22 5.321 -6.905 -1.214 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.732 -5.743 -0.053 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.220 -6.388 1.501 1.00 0.18 H new ATOM 0 HG LEU A 22 6.185 -4.562 0.250 1.00 0.23 H new ATOM 0 HD11 LEU A 22 4.915 -2.538 0.861 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.101 -3.461 -0.424 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.501 -3.547 1.249 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.269 -3.698 2.569 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.897 -4.745 3.003 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.451 -5.468 2.523 1.00 0.32 H new ATOM 369 N ARG A 23 7.284 -7.324 1.379 1.00 0.17 N ATOM 370 CA ARG A 23 8.667 -7.239 1.822 1.00 0.20 C ATOM 371 C ARG A 23 9.580 -8.084 0.932 1.00 0.21 C ATOM 372 O ARG A 23 10.657 -7.633 0.536 1.00 0.23 O ATOM 373 CB ARG A 23 8.773 -7.689 3.288 1.00 0.26 C ATOM 374 CG ARG A 23 7.776 -6.992 4.210 1.00 0.35 C ATOM 375 CD ARG A 23 8.115 -7.191 5.685 1.00 0.43 C ATOM 376 NE ARG A 23 7.680 -8.476 6.223 1.00 0.58 N ATOM 377 CZ ARG A 23 8.366 -9.161 7.139 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.559 -8.734 7.541 1.00 0.82 N ATOM 379 NH2 ARG A 23 7.850 -10.267 7.656 1.00 0.82 N ATOM 0 H ARG A 23 6.648 -7.756 2.050 1.00 0.17 H new ATOM 0 HA ARG A 23 8.994 -6.202 1.745 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.615 -8.766 3.342 1.00 0.26 H new ATOM 0 HB3 ARG A 23 9.784 -7.497 3.647 1.00 0.26 H new ATOM 0 HG2 ARG A 23 7.759 -5.926 3.984 1.00 0.35 H new ATOM 0 HG3 ARG A 23 6.774 -7.375 4.015 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.193 -7.100 5.815 1.00 0.43 H new ATOM 0 HD3 ARG A 23 7.655 -6.391 6.265 1.00 0.43 H new ATOM 0 HE ARG A 23 6.804 -8.871 5.880 1.00 0.58 H new ATOM 0 HH11 ARG A 23 9.953 -7.879 7.149 1.00 0.82 H new ATOM 0 HH12 ARG A 23 10.080 -9.261 8.242 1.00 0.82 H new ATOM 0 HH21 ARG A 23 6.932 -10.591 7.353 1.00 0.82 H new ATOM 0 HH22 ARG A 23 8.371 -10.794 8.357 1.00 0.82 H new ATOM 393 N ARG A 24 9.140 -9.308 0.652 1.00 0.21 N ATOM 394 CA ARG A 24 9.844 -10.229 -0.244 1.00 0.24 C ATOM 395 C ARG A 24 9.970 -9.647 -1.643 1.00 0.23 C ATOM 396 O ARG A 24 11.065 -9.579 -2.197 1.00 0.25 O ATOM 397 CB ARG A 24 9.078 -11.554 -0.343 1.00 0.25 C ATOM 398 CG ARG A 24 8.847 -12.246 0.988 1.00 0.29 C ATOM 399 CD ARG A 24 7.754 -13.309 0.881 1.00 0.33 C ATOM 400 NE ARG A 24 8.094 -14.371 -0.066 1.00 0.45 N ATOM 401 CZ ARG A 24 7.198 -15.099 -0.737 1.00 0.70 C ATOM 402 NH1 ARG A 24 5.892 -14.889 -0.584 1.00 0.87 N ATOM 403 NH2 ARG A 24 7.617 -16.049 -1.561 1.00 0.86 N ATOM 0 H ARG A 24 8.280 -9.694 1.042 1.00 0.21 H new ATOM 0 HA ARG A 24 10.839 -10.393 0.170 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.113 -11.367 -0.814 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.627 -12.229 -0.999 1.00 0.25 H new ATOM 0 HG2 ARG A 24 9.775 -12.708 1.325 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.567 -11.508 1.740 1.00 0.29 H new ATOM 0 HD2 ARG A 24 7.580 -13.746 1.864 1.00 0.33 H new ATOM 0 HD3 ARG A 24 6.822 -12.836 0.572 1.00 0.33 H new ATOM 0 HE ARG A 24 9.082 -14.569 -0.224 1.00 0.45 H new ATOM 0 HH11 ARG A 24 5.563 -14.163 0.053 1.00 0.87 H new ATOM 0 HH12 ARG A 24 5.220 -15.454 -1.104 1.00 0.87 H new ATOM 0 HH21 ARG A 24 8.616 -16.219 -1.678 1.00 0.86 H new ATOM 0 HH22 ARG A 24 6.940 -16.611 -2.078 1.00 0.86 H new ATOM 417 N ALA A 25 8.834 -9.249 -2.210 1.00 0.21 N ATOM 418 CA ALA A 25 8.787 -8.683 -3.550 1.00 0.23 C ATOM 419 C ALA A 25 9.723 -7.497 -3.685 1.00 0.24 C ATOM 420 O ALA A 25 10.437 -7.355 -4.678 1.00 0.27 O ATOM 421 CB ALA A 25 7.370 -8.261 -3.893 1.00 0.23 C ATOM 0 H ALA A 25 7.924 -9.311 -1.753 1.00 0.21 H new ATOM 0 HA ALA A 25 9.114 -9.455 -4.247 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.349 -7.839 -4.898 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.711 -9.128 -3.850 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.030 -7.512 -3.178 1.00 0.23 H new ATOM 427 N LEU A 26 9.715 -6.664 -2.664 1.00 0.24 N ATOM 428 CA LEU A 26 10.459 -5.425 -2.676 1.00 0.27 C ATOM 429 C LEU A 26 11.855 -5.588 -2.086 1.00 0.29 C ATOM 430 O LEU A 26 12.784 -6.038 -2.762 1.00 0.37 O ATOM 431 CB LEU A 26 9.682 -4.371 -1.889 1.00 0.24 C ATOM 432 CG LEU A 26 8.328 -3.982 -2.491 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.608 -2.982 -1.600 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.524 -3.404 -3.878 1.00 0.32 C ATOM 0 H LEU A 26 9.192 -6.829 -1.804 1.00 0.24 H new ATOM 0 HA LEU A 26 10.581 -5.113 -3.713 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.520 -4.741 -0.877 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.297 -3.475 -1.806 1.00 0.24 H new ATOM 0 HG LEU A 26 7.712 -4.878 -2.564 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.649 -2.720 -2.048 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.441 -3.424 -0.618 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.217 -2.084 -1.495 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.556 -3.130 -4.298 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.157 -2.518 -3.817 1.00 0.32 H new ATOM 0 HD23 LEU A 26 9.000 -4.147 -4.518 1.00 0.32 H new ATOM 446 N ASP A 27 11.967 -5.248 -0.809 1.00 0.27 N ATOM 447 CA ASP A 27 13.246 -5.146 -0.112 1.00 0.33 C ATOM 448 C ASP A 27 12.980 -4.587 1.278 1.00 0.37 C ATOM 449 O ASP A 27 13.587 -3.614 1.716 1.00 0.59 O ATOM 450 CB ASP A 27 14.212 -4.233 -0.894 1.00 0.40 C ATOM 451 CG ASP A 27 15.543 -4.006 -0.195 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.194 -4.991 0.210 1.00 1.10 O ATOM 453 OD2 ASP A 27 15.933 -2.826 -0.034 1.00 1.37 O ATOM 0 H ASP A 27 11.163 -5.032 -0.219 1.00 0.27 H new ATOM 0 HA ASP A 27 13.714 -6.127 -0.034 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.397 -4.671 -1.875 1.00 0.40 H new ATOM 0 HB3 ASP A 27 13.731 -3.269 -1.061 1.00 0.40 H new ATOM 458 N ILE A 28 12.022 -5.182 1.961 1.00 0.28 N ATOM 459 CA ILE A 28 11.625 -4.685 3.267 1.00 0.29 C ATOM 460 C ILE A 28 12.156 -5.590 4.367 1.00 0.28 C ATOM 461 O ILE A 28 12.149 -6.817 4.240 1.00 0.29 O ATOM 462 CB ILE A 28 10.091 -4.524 3.381 1.00 0.31 C ATOM 463 CG1 ILE A 28 9.624 -3.249 2.671 1.00 0.33 C ATOM 464 CG2 ILE A 28 9.648 -4.506 4.832 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.678 -3.320 1.169 1.00 0.37 C ATOM 0 H ILE A 28 11.508 -6.002 1.639 1.00 0.28 H new ATOM 0 HA ILE A 28 12.064 -3.695 3.388 1.00 0.29 H new ATOM 0 HB ILE A 28 9.632 -5.384 2.894 1.00 0.31 H new ATOM 0 HG12 ILE A 28 8.600 -3.032 2.976 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.240 -2.415 3.006 1.00 0.33 H new ATOM 0 HG21 ILE A 28 8.565 -4.392 4.880 1.00 0.36 H new ATOM 0 HG22 ILE A 28 9.936 -5.441 5.312 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.124 -3.672 5.348 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.331 -2.377 0.747 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.704 -3.504 0.850 1.00 0.37 H new ATOM 0 HD13 ILE A 28 9.039 -4.131 0.820 1.00 0.37 H new ATOM 477 N ALA A 29 12.626 -4.978 5.442 1.00 0.31 N ATOM 478 CA ALA A 29 13.232 -5.718 6.526 1.00 0.33 C ATOM 479 C ALA A 29 12.486 -5.491 7.829 1.00 0.34 C ATOM 480 O ALA A 29 11.975 -6.436 8.431 1.00 0.43 O ATOM 481 CB ALA A 29 14.693 -5.331 6.664 1.00 0.34 C ATOM 0 H ALA A 29 12.597 -3.968 5.583 1.00 0.31 H new ATOM 0 HA ALA A 29 13.171 -6.781 6.295 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.142 -5.893 7.483 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.219 -5.558 5.737 1.00 0.34 H new ATOM 0 HB3 ALA A 29 14.769 -4.264 6.872 1.00 0.34 H new ATOM 487 N ILE A 30 12.405 -4.241 8.255 1.00 0.29 N ATOM 488 CA ILE A 30 11.757 -3.919 9.517 1.00 0.32 C ATOM 489 C ILE A 30 11.295 -2.465 9.521 1.00 0.34 C ATOM 490 O ILE A 30 10.255 -2.150 10.080 1.00 0.44 O ATOM 491 CB ILE A 30 12.695 -4.222 10.724 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.923 -4.234 12.056 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.856 -3.237 10.784 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.682 -2.870 12.675 1.00 0.39 C ATOM 0 H ILE A 30 12.777 -3.437 7.750 1.00 0.29 H new ATOM 0 HA ILE A 30 10.877 -4.554 9.624 1.00 0.32 H new ATOM 0 HB ILE A 30 13.104 -5.220 10.568 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.959 -4.718 11.895 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.472 -4.848 12.770 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.492 -3.475 11.637 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.440 -3.306 9.866 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.468 -2.224 10.892 1.00 0.31 H new ATOM 0 HD11 ILE A 30 11.132 -2.986 13.609 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.638 -2.387 12.875 1.00 0.39 H new ATOM 0 HD13 ILE A 30 11.102 -2.255 11.986 1.00 0.39 H new ATOM 506 N LYS A 31 12.065 -1.587 8.886 1.00 0.32 N ATOM 507 CA LYS A 31 11.687 -0.185 8.784 1.00 0.37 C ATOM 508 C LYS A 31 11.764 0.288 7.341 1.00 0.37 C ATOM 509 O LYS A 31 10.951 1.104 6.918 1.00 0.57 O ATOM 510 CB LYS A 31 12.561 0.694 9.675 1.00 0.39 C ATOM 511 CG LYS A 31 12.464 0.346 11.149 1.00 0.39 C ATOM 512 CD LYS A 31 12.459 1.596 12.009 1.00 0.45 C ATOM 513 CE LYS A 31 11.199 2.414 11.779 1.00 0.46 C ATOM 514 NZ LYS A 31 11.244 3.714 12.497 1.00 0.65 N ATOM 0 H LYS A 31 12.950 -1.822 8.437 1.00 0.32 H new ATOM 0 HA LYS A 31 10.657 -0.096 9.129 1.00 0.37 H new ATOM 0 HB2 LYS A 31 13.599 0.603 9.356 1.00 0.39 H new ATOM 0 HB3 LYS A 31 12.275 1.737 9.536 1.00 0.39 H new ATOM 0 HG2 LYS A 31 11.555 -0.227 11.331 1.00 0.39 H new ATOM 0 HG3 LYS A 31 13.303 -0.289 11.431 1.00 0.39 H new ATOM 0 HD2 LYS A 31 12.529 1.318 13.061 1.00 0.45 H new ATOM 0 HD3 LYS A 31 13.336 2.202 11.781 1.00 0.45 H new ATOM 0 HE2 LYS A 31 11.072 2.593 10.711 1.00 0.46 H new ATOM 0 HE3 LYS A 31 10.331 1.845 12.112 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 10.367 4.242 12.315 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 11.339 3.543 13.518 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 12.058 4.268 12.161 1.00 0.65 H new ATOM 528 N ASP A 32 12.761 -0.232 6.608 1.00 0.24 N ATOM 529 CA ASP A 32 12.884 -0.053 5.147 1.00 0.25 C ATOM 530 C ASP A 32 12.457 1.340 4.660 1.00 0.35 C ATOM 531 O ASP A 32 13.038 2.330 5.102 1.00 0.84 O ATOM 532 CB ASP A 32 12.109 -1.162 4.424 1.00 0.31 C ATOM 533 CG ASP A 32 10.700 -1.285 4.927 1.00 1.17 C ATOM 534 OD1 ASP A 32 10.502 -1.990 5.933 1.00 1.91 O ATOM 535 OD2 ASP A 32 9.804 -0.676 4.319 1.00 1.80 O ATOM 0 H ASP A 32 13.511 -0.793 7.012 1.00 0.24 H new ATOM 0 HA ASP A 32 13.943 -0.130 4.902 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.095 -0.956 3.354 1.00 0.31 H new ATOM 0 HB3 ASP A 32 12.626 -2.112 4.559 1.00 0.31 H new ATOM 540 N SER A 33 11.409 1.406 3.814 1.00 0.25 N ATOM 541 CA SER A 33 10.992 2.620 3.085 1.00 0.19 C ATOM 542 C SER A 33 9.983 2.249 1.996 1.00 0.19 C ATOM 543 O SER A 33 10.343 1.564 1.038 1.00 0.28 O ATOM 544 CB SER A 33 12.156 3.344 2.375 1.00 0.24 C ATOM 545 OG SER A 33 13.046 3.983 3.274 1.00 0.27 O ATOM 0 H SER A 33 10.817 0.600 3.615 1.00 0.25 H new ATOM 0 HA SER A 33 10.572 3.284 3.840 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.711 2.624 1.774 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.749 4.086 1.688 1.00 0.24 H new ATOM 0 HG SER A 33 12.880 3.660 4.184 1.00 0.27 H new ATOM 551 N ILE A 34 8.737 2.701 2.120 1.00 0.16 N ATOM 552 CA ILE A 34 7.745 2.462 1.072 1.00 0.18 C ATOM 553 C ILE A 34 7.095 3.772 0.645 1.00 0.15 C ATOM 554 O ILE A 34 6.475 4.448 1.456 1.00 0.16 O ATOM 555 CB ILE A 34 6.621 1.490 1.500 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.147 0.356 2.377 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.943 0.912 0.275 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.060 0.659 3.853 1.00 0.58 C ATOM 0 H ILE A 34 8.393 3.227 2.923 1.00 0.16 H new ATOM 0 HA ILE A 34 8.294 2.006 0.248 1.00 0.18 H new ATOM 0 HB ILE A 34 5.903 2.061 2.089 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.582 -0.551 2.165 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.185 0.154 2.114 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.153 0.228 0.585 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.513 1.719 -0.318 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.675 0.372 -0.325 1.00 0.76 H new ATOM 0 HD11 ILE A 34 7.449 -0.186 4.421 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.648 1.549 4.077 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.020 0.833 4.128 1.00 0.58 H new ATOM 570 N GLU A 35 7.212 4.114 -0.627 1.00 0.13 N ATOM 571 CA GLU A 35 6.652 5.362 -1.129 1.00 0.13 C ATOM 572 C GLU A 35 5.521 5.041 -2.098 1.00 0.13 C ATOM 573 O GLU A 35 5.654 4.139 -2.931 1.00 0.17 O ATOM 574 CB GLU A 35 7.731 6.227 -1.799 1.00 0.16 C ATOM 575 CG GLU A 35 7.208 7.568 -2.310 1.00 0.23 C ATOM 576 CD GLU A 35 8.296 8.498 -2.818 1.00 0.38 C ATOM 577 OE1 GLU A 35 8.813 8.276 -3.933 1.00 1.21 O ATOM 578 OE2 GLU A 35 8.616 9.483 -2.126 1.00 1.13 O ATOM 0 H GLU A 35 7.688 3.549 -1.330 1.00 0.13 H new ATOM 0 HA GLU A 35 6.257 5.941 -0.294 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.535 6.408 -1.085 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.163 5.673 -2.633 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.494 7.386 -3.113 1.00 0.23 H new ATOM 0 HG3 GLU A 35 6.664 8.065 -1.507 1.00 0.23 H new ATOM 585 N PHE A 36 4.406 5.762 -1.983 1.00 0.13 N ATOM 586 CA PHE A 36 3.201 5.389 -2.717 1.00 0.12 C ATOM 587 C PHE A 36 2.828 6.385 -3.812 1.00 0.14 C ATOM 588 O PHE A 36 3.106 7.587 -3.732 1.00 0.16 O ATOM 589 CB PHE A 36 1.997 5.219 -1.782 1.00 0.15 C ATOM 590 CG PHE A 36 2.346 4.974 -0.344 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.054 3.847 0.034 1.00 1.24 C ATOM 592 CD2 PHE A 36 1.958 5.877 0.628 1.00 1.11 C ATOM 593 CE1 PHE A 36 3.365 3.625 1.356 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.266 5.658 1.953 1.00 1.06 C ATOM 595 CZ PHE A 36 2.972 4.531 2.317 1.00 0.36 C ATOM 0 H PHE A 36 4.313 6.593 -1.399 1.00 0.13 H new ATOM 0 HA PHE A 36 3.444 4.437 -3.189 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.378 6.114 -1.843 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.391 4.387 -2.141 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.366 3.135 -0.716 1.00 1.24 H new ATOM 0 HD2 PHE A 36 1.408 6.763 0.346 1.00 1.11 H new ATOM 0 HE1 PHE A 36 3.917 2.741 1.640 1.00 1.33 H new ATOM 0 HE2 PHE A 36 1.955 6.368 2.705 1.00 1.06 H new ATOM 0 HZ PHE A 36 3.217 4.358 3.355 1.00 0.36 H new ATOM 605 N PHE A 37 2.179 5.840 -4.829 1.00 0.15 N ATOM 606 CA PHE A 37 1.613 6.595 -5.933 1.00 0.17 C ATOM 607 C PHE A 37 0.110 6.447 -5.857 1.00 0.13 C ATOM 608 O PHE A 37 -0.383 5.476 -5.294 1.00 0.11 O ATOM 609 CB PHE A 37 2.123 6.024 -7.269 1.00 0.20 C ATOM 610 CG PHE A 37 1.956 6.931 -8.463 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.744 7.020 -9.132 1.00 1.13 C ATOM 612 CD2 PHE A 37 3.025 7.683 -8.926 1.00 1.25 C ATOM 613 CE1 PHE A 37 0.602 7.840 -10.235 1.00 1.15 C ATOM 614 CE2 PHE A 37 2.887 8.507 -10.026 1.00 1.26 C ATOM 615 CZ PHE A 37 1.675 8.585 -10.682 1.00 0.33 C ATOM 0 H PHE A 37 2.028 4.835 -4.910 1.00 0.15 H new ATOM 0 HA PHE A 37 1.903 7.644 -5.872 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.180 5.782 -7.162 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.601 5.088 -7.468 1.00 0.20 H new ATOM 0 HD1 PHE A 37 -0.099 6.441 -8.786 1.00 1.13 H new ATOM 0 HD2 PHE A 37 3.977 7.624 -8.420 1.00 1.25 H new ATOM 0 HE1 PHE A 37 -0.347 7.898 -10.747 1.00 1.15 H new ATOM 0 HE2 PHE A 37 3.727 9.090 -10.373 1.00 1.26 H new ATOM 0 HZ PHE A 37 1.566 9.228 -11.543 1.00 0.33 H new ATOM 625 N VAL A 38 -0.615 7.403 -6.380 1.00 0.17 N ATOM 626 CA VAL A 38 -2.049 7.265 -6.475 1.00 0.18 C ATOM 627 C VAL A 38 -2.518 7.617 -7.872 1.00 0.21 C ATOM 628 O VAL A 38 -2.256 8.705 -8.390 1.00 0.25 O ATOM 629 CB VAL A 38 -2.782 8.094 -5.408 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.409 9.567 -5.469 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.290 7.915 -5.512 1.00 0.25 C ATOM 0 H VAL A 38 -0.241 8.279 -6.744 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.298 6.222 -6.280 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.457 7.717 -4.438 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -2.952 10.112 -4.697 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.337 9.678 -5.306 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.671 9.968 -6.448 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -4.781 8.513 -4.745 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.628 8.239 -6.496 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.542 6.864 -5.370 1.00 0.25 H new ATOM 641 N ASP A 39 -3.178 6.660 -8.479 1.00 0.24 N ATOM 642 CA ASP A 39 -3.589 6.759 -9.861 1.00 0.30 C ATOM 643 C ASP A 39 -5.098 6.670 -9.945 1.00 0.32 C ATOM 644 O ASP A 39 -5.654 5.573 -9.967 1.00 0.29 O ATOM 645 CB ASP A 39 -2.952 5.618 -10.658 1.00 0.30 C ATOM 646 CG ASP A 39 -2.999 5.832 -12.155 1.00 0.44 C ATOM 647 OD1 ASP A 39 -2.330 6.760 -12.649 1.00 1.27 O ATOM 648 OD2 ASP A 39 -3.674 5.050 -12.852 1.00 1.12 O ATOM 0 H ASP A 39 -3.447 5.786 -8.027 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.265 7.713 -10.277 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -1.914 5.503 -10.347 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.462 4.686 -10.415 1.00 0.30 H new ATOM 653 N GLY A 40 -5.752 7.825 -9.942 1.00 0.40 N ATOM 654 CA GLY A 40 -7.202 7.873 -10.010 1.00 0.45 C ATOM 655 C GLY A 40 -7.868 7.228 -8.807 1.00 0.39 C ATOM 656 O GLY A 40 -8.176 7.896 -7.820 1.00 0.43 O ATOM 0 H GLY A 40 -5.300 8.738 -9.893 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.524 8.912 -10.084 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.536 7.370 -10.918 1.00 0.45 H new ATOM 660 N ASP A 41 -8.067 5.925 -8.893 1.00 0.33 N ATOM 661 CA ASP A 41 -8.702 5.156 -7.837 1.00 0.29 C ATOM 662 C ASP A 41 -7.827 3.972 -7.476 1.00 0.21 C ATOM 663 O ASP A 41 -8.306 2.924 -7.038 1.00 0.25 O ATOM 664 CB ASP A 41 -10.085 4.686 -8.280 1.00 0.35 C ATOM 665 CG ASP A 41 -10.073 3.845 -9.545 1.00 0.98 C ATOM 666 OD1 ASP A 41 -9.981 4.424 -10.647 1.00 1.72 O ATOM 667 OD2 ASP A 41 -10.195 2.609 -9.450 1.00 1.74 O ATOM 0 H ASP A 41 -7.791 5.367 -9.701 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.824 5.788 -6.957 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -10.536 4.107 -7.475 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.720 5.557 -8.441 1.00 0.35 H new ATOM 672 N LYS A 42 -6.534 4.152 -7.665 1.00 0.18 N ATOM 673 CA LYS A 42 -5.565 3.112 -7.383 1.00 0.14 C ATOM 674 C LYS A 42 -4.365 3.655 -6.614 1.00 0.12 C ATOM 675 O LYS A 42 -4.062 4.841 -6.684 1.00 0.14 O ATOM 676 CB LYS A 42 -5.127 2.517 -8.709 1.00 0.12 C ATOM 677 CG LYS A 42 -3.762 1.865 -8.705 1.00 0.18 C ATOM 678 CD LYS A 42 -3.502 1.201 -10.038 1.00 0.40 C ATOM 679 CE LYS A 42 -3.840 2.145 -11.186 1.00 0.53 C ATOM 680 NZ LYS A 42 -3.861 1.457 -12.506 1.00 0.41 N ATOM 0 H LYS A 42 -6.128 5.019 -8.017 1.00 0.18 H new ATOM 0 HA LYS A 42 -6.020 2.349 -6.752 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.865 1.776 -9.017 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -5.133 3.305 -9.462 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.994 2.612 -8.506 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.705 1.127 -7.905 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.456 0.902 -10.103 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -4.099 0.293 -10.120 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -4.813 2.600 -11.002 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -3.110 2.954 -11.214 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -4.096 2.143 -13.251 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -2.926 1.044 -12.697 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -4.576 0.702 -12.493 1.00 0.41 H new ATOM 694 N ILE A 43 -3.686 2.777 -5.887 1.00 0.10 N ATOM 695 CA ILE A 43 -2.482 3.146 -5.158 1.00 0.09 C ATOM 696 C ILE A 43 -1.318 2.260 -5.594 1.00 0.08 C ATOM 697 O ILE A 43 -1.519 1.109 -5.968 1.00 0.10 O ATOM 698 CB ILE A 43 -2.718 3.029 -3.638 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.695 4.125 -3.178 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.411 3.074 -2.855 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.059 5.251 -2.375 1.00 0.15 C ATOM 0 H ILE A 43 -3.952 1.797 -5.787 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.234 4.183 -5.384 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.165 2.056 -3.433 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.179 4.552 -4.056 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.478 3.665 -2.575 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.622 2.989 -1.789 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.772 2.247 -3.166 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.903 4.018 -3.050 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.824 5.975 -2.095 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.600 4.842 -1.475 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.297 5.743 -2.979 1.00 0.15 H new ATOM 713 N ILE A 44 -0.118 2.813 -5.575 1.00 0.08 N ATOM 714 CA ILE A 44 1.082 2.103 -6.000 1.00 0.09 C ATOM 715 C ILE A 44 2.136 2.193 -4.902 1.00 0.11 C ATOM 716 O ILE A 44 2.252 3.228 -4.268 1.00 0.19 O ATOM 717 CB ILE A 44 1.652 2.729 -7.289 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.521 2.998 -8.285 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.707 1.822 -7.900 1.00 0.19 C ATOM 720 CD1 ILE A 44 0.957 3.700 -9.548 1.00 0.22 C ATOM 0 H ILE A 44 0.055 3.769 -5.264 1.00 0.08 H new ATOM 0 HA ILE A 44 0.822 1.062 -6.192 1.00 0.09 H new ATOM 0 HB ILE A 44 2.127 3.678 -7.040 1.00 0.14 H new ATOM 0 HG12 ILE A 44 0.056 2.049 -8.553 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.243 3.600 -7.794 1.00 0.19 H new ATOM 0 HG21 ILE A 44 3.098 2.280 -8.809 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.519 1.678 -7.188 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.261 0.857 -8.142 1.00 0.19 H new ATOM 0 HD11 ILE A 44 0.094 3.851 -10.197 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.394 4.666 -9.295 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.698 3.091 -10.066 1.00 0.22 H new ATOM 732 N LEU A 45 2.897 1.134 -4.662 1.00 0.09 N ATOM 733 CA LEU A 45 3.919 1.169 -3.618 1.00 0.10 C ATOM 734 C LEU A 45 5.272 0.742 -4.165 1.00 0.12 C ATOM 735 O LEU A 45 5.350 -0.150 -5.014 1.00 0.16 O ATOM 736 CB LEU A 45 3.546 0.272 -2.432 1.00 0.11 C ATOM 737 CG LEU A 45 2.675 0.911 -1.343 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.280 1.214 -1.852 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.610 0.010 -0.123 1.00 0.23 C ATOM 0 H LEU A 45 2.830 0.250 -5.167 1.00 0.09 H new ATOM 0 HA LEU A 45 3.980 2.200 -3.270 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.024 -0.604 -2.817 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.467 -0.083 -1.969 1.00 0.11 H new ATOM 0 HG LEU A 45 3.137 1.857 -1.060 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.691 1.666 -1.053 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.342 1.905 -2.693 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.802 0.290 -2.176 1.00 0.17 H new ATOM 0 HD21 LEU A 45 1.989 0.477 0.641 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.180 -0.951 -0.403 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.615 -0.143 0.270 1.00 0.23 H new ATOM 751 N LYS A 46 6.323 1.398 -3.684 1.00 0.15 N ATOM 752 CA LYS A 46 7.694 1.043 -4.034 1.00 0.24 C ATOM 753 C LYS A 46 8.587 1.175 -2.807 1.00 0.25 C ATOM 754 O LYS A 46 8.271 1.922 -1.883 1.00 0.41 O ATOM 755 CB LYS A 46 8.236 1.976 -5.127 1.00 0.45 C ATOM 756 CG LYS A 46 8.476 3.390 -4.618 1.00 0.81 C ATOM 757 CD LYS A 46 9.289 4.234 -5.581 1.00 1.10 C ATOM 758 CE LYS A 46 9.667 5.555 -4.935 1.00 1.19 C ATOM 759 NZ LYS A 46 10.366 6.467 -5.875 1.00 1.52 N ATOM 0 H LYS A 46 6.249 2.188 -3.043 1.00 0.15 H new ATOM 0 HA LYS A 46 7.695 0.016 -4.400 1.00 0.24 H new ATOM 0 HB2 LYS A 46 9.169 1.570 -5.517 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.530 2.007 -5.957 1.00 0.45 H new ATOM 0 HG2 LYS A 46 7.516 3.874 -4.440 1.00 0.81 H new ATOM 0 HG3 LYS A 46 8.992 3.343 -3.659 1.00 0.81 H new ATOM 0 HD2 LYS A 46 10.189 3.695 -5.876 1.00 1.10 H new ATOM 0 HD3 LYS A 46 8.715 4.417 -6.489 1.00 1.10 H new ATOM 0 HE2 LYS A 46 8.767 6.044 -4.561 1.00 1.19 H new ATOM 0 HE3 LYS A 46 10.308 5.365 -4.074 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.189 7.454 -5.597 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 11.388 6.277 -5.847 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 10.011 6.310 -6.840 1.00 1.52 H new ATOM 773 N LYS A 47 9.694 0.456 -2.800 1.00 0.23 N ATOM 774 CA LYS A 47 10.731 0.682 -1.802 1.00 0.25 C ATOM 775 C LYS A 47 11.533 1.908 -2.244 1.00 0.27 C ATOM 776 O LYS A 47 11.834 2.043 -3.426 1.00 0.39 O ATOM 777 CB LYS A 47 11.621 -0.563 -1.665 1.00 0.33 C ATOM 778 CG LYS A 47 12.248 -0.744 -0.282 1.00 0.40 C ATOM 779 CD LYS A 47 13.362 0.258 -0.018 1.00 0.44 C ATOM 780 CE LYS A 47 13.934 0.129 1.387 1.00 0.77 C ATOM 781 NZ LYS A 47 14.608 -1.178 1.612 1.00 0.53 N ATOM 0 H LYS A 47 9.901 -0.286 -3.469 1.00 0.23 H new ATOM 0 HA LYS A 47 10.296 0.864 -0.819 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.027 -1.446 -1.899 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.418 -0.508 -2.407 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.477 -0.636 0.481 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.644 -1.756 -0.195 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.159 0.112 -0.747 1.00 0.44 H new ATOM 0 HD3 LYS A 47 12.980 1.269 -0.161 1.00 0.44 H new ATOM 0 HE2 LYS A 47 14.646 0.936 1.561 1.00 0.77 H new ATOM 0 HE3 LYS A 47 13.131 0.250 2.115 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 15.256 -1.099 2.421 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 13.894 -1.907 1.810 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.146 -1.442 0.762 1.00 0.53 H new ATOM 795 N TYR A 48 11.864 2.800 -1.312 1.00 0.23 N ATOM 796 CA TYR A 48 12.406 4.114 -1.677 1.00 0.29 C ATOM 797 C TYR A 48 13.779 4.006 -2.320 1.00 0.38 C ATOM 798 O TYR A 48 14.024 4.586 -3.377 1.00 0.41 O ATOM 799 CB TYR A 48 12.507 5.017 -0.449 1.00 0.36 C ATOM 800 CG TYR A 48 12.881 6.445 -0.783 1.00 0.53 C ATOM 801 CD1 TYR A 48 11.910 7.366 -1.153 1.00 1.37 C ATOM 802 CD2 TYR A 48 14.203 6.869 -0.734 1.00 1.15 C ATOM 803 CE1 TYR A 48 12.246 8.669 -1.466 1.00 1.49 C ATOM 804 CE2 TYR A 48 14.548 8.171 -1.043 1.00 1.26 C ATOM 805 CZ TYR A 48 13.567 9.067 -1.409 1.00 0.93 C ATOM 806 OH TYR A 48 13.905 10.364 -1.723 1.00 1.14 O ATOM 0 H TYR A 48 11.769 2.643 -0.309 1.00 0.23 H new ATOM 0 HA TYR A 48 11.715 4.546 -2.401 1.00 0.29 H new ATOM 0 HB2 TYR A 48 11.552 5.013 0.076 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.249 4.605 0.236 1.00 0.36 H new ATOM 0 HD1 TYR A 48 10.876 7.059 -1.197 1.00 1.37 H new ATOM 0 HD2 TYR A 48 14.975 6.169 -0.449 1.00 1.15 H new ATOM 0 HE1 TYR A 48 11.479 9.373 -1.754 1.00 1.49 H new ATOM 0 HE2 TYR A 48 15.580 8.485 -0.998 1.00 1.26 H new ATOM 0 HH TYR A 48 14.874 10.481 -1.632 1.00 1.14 H new ATOM 816 N LYS A 49 14.672 3.291 -1.651 1.00 0.45 N ATOM 817 CA LYS A 49 16.059 3.166 -2.099 1.00 0.63 C ATOM 818 C LYS A 49 16.157 2.661 -3.550 1.00 0.71 C ATOM 819 O LYS A 49 16.790 3.316 -4.381 1.00 0.82 O ATOM 820 CB LYS A 49 16.853 2.266 -1.149 1.00 0.70 C ATOM 821 CG LYS A 49 18.358 2.405 -1.308 1.00 0.99 C ATOM 822 CD LYS A 49 18.816 3.831 -1.027 1.00 1.63 C ATOM 823 CE LYS A 49 20.301 4.016 -1.304 1.00 2.21 C ATOM 824 NZ LYS A 49 21.145 3.096 -0.497 1.00 3.15 N ATOM 0 H LYS A 49 14.463 2.784 -0.791 1.00 0.45 H new ATOM 0 HA LYS A 49 16.498 4.163 -2.080 1.00 0.63 H new ATOM 0 HB2 LYS A 49 16.580 2.504 -0.121 1.00 0.70 H new ATOM 0 HB3 LYS A 49 16.571 1.228 -1.322 1.00 0.70 H new ATOM 0 HG2 LYS A 49 18.862 1.718 -0.628 1.00 0.99 H new ATOM 0 HG3 LYS A 49 18.647 2.121 -2.320 1.00 0.99 H new ATOM 0 HD2 LYS A 49 18.243 4.524 -1.643 1.00 1.63 H new ATOM 0 HD3 LYS A 49 18.607 4.081 0.013 1.00 1.63 H new ATOM 0 HE2 LYS A 49 20.494 3.847 -2.363 1.00 2.21 H new ATOM 0 HE3 LYS A 49 20.583 5.047 -1.089 1.00 2.21 H new ATOM 0 HZ1 LYS A 49 22.147 3.349 -0.617 1.00 3.15 H new ATOM 0 HZ2 LYS A 49 20.885 3.177 0.507 1.00 3.15 H new ATOM 0 HZ3 LYS A 49 20.995 2.118 -0.816 1.00 3.15 H new ATOM 838 N PRO A 50 15.556 1.495 -3.892 1.00 0.73 N ATOM 839 CA PRO A 50 15.481 1.043 -5.285 1.00 0.90 C ATOM 840 C PRO A 50 14.678 2.017 -6.138 1.00 1.00 C ATOM 841 O PRO A 50 13.843 2.760 -5.618 1.00 1.56 O ATOM 842 CB PRO A 50 14.767 -0.312 -5.203 1.00 0.99 C ATOM 843 CG PRO A 50 14.909 -0.742 -3.785 1.00 0.85 C ATOM 844 CD PRO A 50 14.929 0.525 -2.980 1.00 0.65 C ATOM 0 HA PRO A 50 16.465 0.976 -5.749 1.00 0.90 H new ATOM 0 HB2 PRO A 50 13.718 -0.222 -5.484 1.00 0.99 H new ATOM 0 HB3 PRO A 50 15.218 -1.036 -5.881 1.00 0.99 H new ATOM 0 HG2 PRO A 50 14.081 -1.384 -3.485 1.00 0.85 H new ATOM 0 HG3 PRO A 50 15.825 -1.314 -3.639 1.00 0.85 H new ATOM 0 HD2 PRO A 50 13.924 0.835 -2.692 1.00 0.65 H new ATOM 0 HD3 PRO A 50 15.502 0.408 -2.060 1.00 0.65 H new ATOM 852 N HIS A 51 14.936 2.006 -7.443 1.00 1.42 N ATOM 853 CA HIS A 51 14.310 2.938 -8.387 1.00 1.56 C ATOM 854 C HIS A 51 14.891 4.342 -8.247 1.00 1.82 C ATOM 855 O HIS A 51 15.403 4.903 -9.216 1.00 2.35 O ATOM 856 CB HIS A 51 12.785 2.983 -8.235 1.00 2.08 C ATOM 857 CG HIS A 51 12.073 1.835 -8.881 1.00 3.08 C ATOM 858 ND1 HIS A 51 11.259 1.986 -9.979 1.00 3.93 N ATOM 859 CD2 HIS A 51 12.044 0.518 -8.573 1.00 3.73 C ATOM 860 CE1 HIS A 51 10.764 0.814 -10.320 1.00 4.77 C ATOM 861 NE2 HIS A 51 11.221 -0.095 -9.481 1.00 4.67 N ATOM 0 H HIS A 51 15.585 1.352 -7.880 1.00 1.42 H new ATOM 0 HA HIS A 51 14.534 2.562 -9.385 1.00 1.56 H new ATOM 0 HB2 HIS A 51 12.537 3.000 -7.174 1.00 2.08 H new ATOM 0 HB3 HIS A 51 12.415 3.914 -8.664 1.00 2.08 H new ATOM 0 HD2 HIS A 51 12.572 0.039 -7.762 1.00 3.73 H new ATOM 0 HE1 HIS A 51 10.096 0.629 -11.148 1.00 4.77 H new ATOM 0 HE2 HIS A 51 10.999 -1.090 -9.504 1.00 4.67 H new ATOM 870 N GLY A 52 14.826 4.904 -7.045 1.00 2.13 N ATOM 871 CA GLY A 52 15.299 6.260 -6.835 1.00 2.84 C ATOM 872 C GLY A 52 14.318 7.279 -7.364 1.00 2.91 C ATOM 873 O GLY A 52 13.717 8.042 -6.605 1.00 3.15 O ATOM 0 H GLY A 52 14.455 4.445 -6.213 1.00 2.13 H new ATOM 0 HA2 GLY A 52 15.461 6.429 -5.770 1.00 2.84 H new ATOM 0 HA3 GLY A 52 16.262 6.391 -7.329 1.00 2.84 H new ATOM 877 N VAL A 53 14.171 7.273 -8.677 1.00 3.09 N ATOM 878 CA VAL A 53 13.218 8.123 -9.373 1.00 3.28 C ATOM 879 C VAL A 53 11.795 7.833 -8.897 1.00 2.62 C ATOM 880 O VAL A 53 11.529 6.767 -8.334 1.00 2.42 O ATOM 881 CB VAL A 53 13.319 7.917 -10.906 1.00 4.14 C ATOM 882 CG1 VAL A 53 12.860 6.520 -11.304 1.00 4.29 C ATOM 883 CG2 VAL A 53 12.536 8.979 -11.660 1.00 4.59 C ATOM 0 H VAL A 53 14.714 6.673 -9.297 1.00 3.09 H new ATOM 0 HA VAL A 53 13.459 9.161 -9.145 1.00 3.28 H new ATOM 0 HB VAL A 53 14.369 8.019 -11.182 1.00 4.14 H new ATOM 0 HG11 VAL A 53 12.942 6.404 -12.385 1.00 4.29 H new ATOM 0 HG12 VAL A 53 13.487 5.777 -10.811 1.00 4.29 H new ATOM 0 HG13 VAL A 53 11.823 6.378 -11.001 1.00 4.29 H new ATOM 0 HG21 VAL A 53 12.627 8.806 -12.732 1.00 4.59 H new ATOM 0 HG22 VAL A 53 11.486 8.929 -11.373 1.00 4.59 H new ATOM 0 HG23 VAL A 53 12.932 9.965 -11.417 1.00 4.59 H new ATOM 893 N CYS A 54 10.912 8.804 -9.109 1.00 2.51 N ATOM 894 CA CYS A 54 9.509 8.726 -8.700 1.00 1.97 C ATOM 895 C CYS A 54 8.918 7.335 -8.922 1.00 1.82 C ATOM 896 O CYS A 54 8.682 6.946 -10.084 1.00 2.05 O ATOM 897 CB CYS A 54 8.692 9.789 -9.442 1.00 2.32 C ATOM 898 SG CYS A 54 8.987 9.856 -11.229 1.00 3.01 S ATOM 899 OXT CYS A 54 8.689 6.633 -7.914 1.00 2.32 O ATOM 0 H CYS A 54 11.151 9.679 -9.575 1.00 2.51 H new ATOM 0 HA CYS A 54 9.463 8.919 -7.628 1.00 1.97 H new ATOM 0 HB2 CYS A 54 7.632 9.600 -9.269 1.00 2.32 H new ATOM 0 HB3 CYS A 54 8.916 10.766 -9.013 1.00 2.32 H new ATOM 0 HG CYS A 54 9.040 8.648 -11.706 1.00 3.01 H new TER 905 CYS A 54 ATOM 906 N MET B 1 9.666 10.782 -4.515 1.00 2.50 N ATOM 907 CA MET B 1 8.406 11.554 -4.606 1.00 2.21 C ATOM 908 C MET B 1 7.534 11.046 -5.749 1.00 1.71 C ATOM 909 O MET B 1 7.794 11.328 -6.912 1.00 2.31 O ATOM 910 CB MET B 1 8.681 13.050 -4.789 1.00 2.56 C ATOM 911 CG MET B 1 9.267 13.720 -3.559 1.00 3.07 C ATOM 912 SD MET B 1 9.497 15.499 -3.776 1.00 3.74 S ATOM 913 CE MET B 1 7.801 16.040 -4.001 1.00 4.38 C ATOM 0 H1 MET B 1 10.120 10.965 -3.597 1.00 2.50 H new ATOM 0 H2 MET B 1 9.458 9.767 -4.602 1.00 2.50 H new ATOM 0 H3 MET B 1 10.306 11.071 -5.282 1.00 2.50 H new ATOM 0 HA MET B 1 7.872 11.412 -3.666 1.00 2.21 H new ATOM 0 HB2 MET B 1 9.366 13.184 -5.626 1.00 2.56 H new ATOM 0 HB3 MET B 1 7.750 13.551 -5.056 1.00 2.56 H new ATOM 0 HG2 MET B 1 8.610 13.544 -2.707 1.00 3.07 H new ATOM 0 HG3 MET B 1 10.226 13.260 -3.322 1.00 3.07 H new ATOM 0 HE1 MET B 1 7.722 17.100 -3.760 1.00 4.38 H new ATOM 0 HE2 MET B 1 7.503 15.880 -5.037 1.00 4.38 H new ATOM 0 HE3 MET B 1 7.146 15.469 -3.343 1.00 4.38 H new ATOM 925 N LYS B 2 6.508 10.279 -5.404 1.00 1.10 N ATOM 926 CA LYS B 2 5.540 9.790 -6.378 1.00 0.64 C ATOM 927 C LYS B 2 4.339 10.736 -6.454 1.00 0.56 C ATOM 928 O LYS B 2 4.452 11.911 -6.105 1.00 1.00 O ATOM 929 CB LYS B 2 5.080 8.389 -5.987 1.00 0.80 C ATOM 930 CG LYS B 2 6.231 7.449 -5.683 1.00 0.68 C ATOM 931 CD LYS B 2 5.806 5.986 -5.756 1.00 0.88 C ATOM 932 CE LYS B 2 5.397 5.559 -7.162 1.00 1.04 C ATOM 933 NZ LYS B 2 6.556 5.232 -8.029 1.00 1.73 N ATOM 0 H LYS B 2 6.324 9.979 -4.447 1.00 1.10 H new ATOM 0 HA LYS B 2 6.013 9.751 -7.359 1.00 0.64 H new ATOM 0 HB2 LYS B 2 4.433 8.456 -5.113 1.00 0.80 H new ATOM 0 HB3 LYS B 2 4.481 7.971 -6.796 1.00 0.80 H new ATOM 0 HG2 LYS B 2 7.041 7.627 -6.390 1.00 0.68 H new ATOM 0 HG3 LYS B 2 6.622 7.664 -4.689 1.00 0.68 H new ATOM 0 HD2 LYS B 2 6.628 5.356 -5.414 1.00 0.88 H new ATOM 0 HD3 LYS B 2 4.972 5.820 -5.074 1.00 0.88 H new ATOM 0 HE2 LYS B 2 4.743 4.689 -7.096 1.00 1.04 H new ATOM 0 HE3 LYS B 2 4.818 6.359 -7.625 1.00 1.04 H new ATOM 0 HZ1 LYS B 2 6.351 5.522 -9.006 1.00 1.73 H new ATOM 0 HZ2 LYS B 2 7.399 5.737 -7.687 1.00 1.73 H new ATOM 0 HZ3 LYS B 2 6.732 4.207 -8.002 1.00 1.73 H new ATOM 947 N SER B 3 3.197 10.218 -6.910 1.00 0.56 N ATOM 948 CA SER B 3 1.957 10.994 -6.973 1.00 0.42 C ATOM 949 C SER B 3 1.617 11.580 -5.606 1.00 0.34 C ATOM 950 O SER B 3 1.326 12.771 -5.483 1.00 0.45 O ATOM 951 CB SER B 3 0.814 10.112 -7.472 1.00 0.50 C ATOM 952 OG SER B 3 -0.387 10.846 -7.617 1.00 0.75 O ATOM 0 H SER B 3 3.105 9.258 -7.243 1.00 0.56 H new ATOM 0 HA SER B 3 2.099 11.819 -7.671 1.00 0.42 H new ATOM 0 HB2 SER B 3 1.088 9.669 -8.429 1.00 0.50 H new ATOM 0 HB3 SER B 3 0.656 9.290 -6.773 1.00 0.50 H new ATOM 0 HG SER B 3 -0.849 10.559 -8.432 1.00 0.75 H new ATOM 958 N ILE B 4 1.663 10.741 -4.580 1.00 0.30 N ATOM 959 CA ILE B 4 1.524 11.216 -3.214 1.00 0.28 C ATOM 960 C ILE B 4 2.885 11.703 -2.747 1.00 0.31 C ATOM 961 O ILE B 4 3.014 12.728 -2.080 1.00 0.37 O ATOM 962 CB ILE B 4 1.035 10.103 -2.264 1.00 0.25 C ATOM 963 CG1 ILE B 4 -0.066 9.275 -2.927 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.532 10.712 -0.963 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.560 8.127 -2.073 1.00 0.28 C ATOM 0 H ILE B 4 1.795 9.733 -4.669 1.00 0.30 H new ATOM 0 HA ILE B 4 0.783 12.015 -3.195 1.00 0.28 H new ATOM 0 HB ILE B 4 1.872 9.441 -2.042 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.906 9.927 -3.165 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.308 8.879 -3.871 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.189 9.919 -0.299 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.341 11.263 -0.483 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.294 11.391 -1.175 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -1.340 7.585 -2.608 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.268 7.452 -1.856 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.965 8.516 -1.139 1.00 0.28 H new ATOM 977 N GLY B 5 3.896 10.942 -3.137 1.00 0.33 N ATOM 978 CA GLY B 5 5.266 11.290 -2.840 1.00 0.38 C ATOM 979 C GLY B 5 5.574 11.185 -1.365 1.00 0.34 C ATOM 980 O GLY B 5 6.374 11.956 -0.831 1.00 0.46 O ATOM 0 H GLY B 5 3.786 10.075 -3.663 1.00 0.33 H new ATOM 0 HA2 GLY B 5 5.935 10.634 -3.397 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.462 12.307 -3.179 1.00 0.38 H new ATOM 984 N VAL B 6 4.919 10.247 -0.704 1.00 0.24 N ATOM 985 CA VAL B 6 5.160 10.006 0.706 1.00 0.22 C ATOM 986 C VAL B 6 5.727 8.613 0.905 1.00 0.21 C ATOM 987 O VAL B 6 5.323 7.667 0.228 1.00 0.25 O ATOM 988 CB VAL B 6 3.887 10.173 1.567 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.377 11.601 1.502 1.00 0.26 C ATOM 990 CG2 VAL B 6 2.798 9.208 1.134 1.00 0.20 C ATOM 0 H VAL B 6 4.215 9.639 -1.123 1.00 0.24 H new ATOM 0 HA VAL B 6 5.878 10.757 1.037 1.00 0.22 H new ATOM 0 HB VAL B 6 4.155 9.943 2.598 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.481 11.696 2.115 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.145 12.279 1.875 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.139 11.856 0.469 1.00 0.26 H new ATOM 0 HG21 VAL B 6 1.916 9.350 1.759 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.539 9.396 0.092 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.156 8.184 1.240 1.00 0.20 H new ATOM 1000 N VAL B 7 6.655 8.499 1.834 1.00 0.18 N ATOM 1001 CA VAL B 7 7.314 7.235 2.101 1.00 0.16 C ATOM 1002 C VAL B 7 7.092 6.844 3.553 1.00 0.18 C ATOM 1003 O VAL B 7 7.058 7.697 4.444 1.00 0.23 O ATOM 1004 CB VAL B 7 8.829 7.283 1.774 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.570 8.250 2.685 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.447 5.891 1.840 1.00 0.19 C ATOM 0 H VAL B 7 6.972 9.271 2.420 1.00 0.18 H new ATOM 0 HA VAL B 7 6.874 6.482 1.447 1.00 0.16 H new ATOM 0 HB VAL B 7 8.930 7.652 0.753 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.629 8.256 2.425 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.160 9.253 2.562 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.453 7.935 3.722 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.510 5.953 1.607 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.319 5.483 2.843 1.00 0.19 H new ATOM 0 HG23 VAL B 7 8.955 5.240 1.118 1.00 0.19 H new ATOM 1016 N ARG B 8 6.890 5.561 3.782 1.00 0.15 N ATOM 1017 CA ARG B 8 6.608 5.057 5.107 1.00 0.16 C ATOM 1018 C ARG B 8 7.687 4.101 5.535 1.00 0.16 C ATOM 1019 O ARG B 8 8.300 3.431 4.707 1.00 0.16 O ATOM 1020 CB ARG B 8 5.246 4.356 5.154 1.00 0.16 C ATOM 1021 CG ARG B 8 4.103 5.275 5.547 1.00 0.18 C ATOM 1022 CD ARG B 8 4.082 6.530 4.697 1.00 0.23 C ATOM 1023 NE ARG B 8 3.124 7.521 5.176 1.00 0.50 N ATOM 1024 CZ ARG B 8 3.369 8.830 5.191 1.00 0.51 C ATOM 1025 NH1 ARG B 8 4.552 9.295 4.793 1.00 0.80 N ATOM 1026 NH2 ARG B 8 2.444 9.681 5.614 1.00 0.82 N ATOM 0 H ARG B 8 6.917 4.844 3.057 1.00 0.15 H new ATOM 0 HA ARG B 8 6.581 5.905 5.792 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.035 3.925 4.175 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.296 3.529 5.862 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.156 4.746 5.440 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.199 5.548 6.598 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.079 6.971 4.684 1.00 0.23 H new ATOM 0 HD3 ARG B 8 3.838 6.263 3.669 1.00 0.23 H new ATOM 0 HE ARG B 8 2.220 7.194 5.517 1.00 0.50 H new ATOM 0 HH11 ARG B 8 5.274 8.648 4.475 1.00 0.80 H new ATOM 0 HH12 ARG B 8 4.736 10.298 4.806 1.00 0.80 H new ATOM 0 HH21 ARG B 8 1.538 9.334 5.930 1.00 0.82 H new ATOM 0 HH22 ARG B 8 2.638 10.682 5.623 1.00 0.82 H new ATOM 1040 N LYS B 9 7.950 4.087 6.816 1.00 0.18 N ATOM 1041 CA LYS B 9 8.836 3.110 7.391 1.00 0.19 C ATOM 1042 C LYS B 9 8.007 2.049 8.082 1.00 0.19 C ATOM 1043 O LYS B 9 7.143 2.367 8.904 1.00 0.23 O ATOM 1044 CB LYS B 9 9.799 3.792 8.363 1.00 0.22 C ATOM 1045 CG LYS B 9 10.531 4.982 7.746 1.00 0.25 C ATOM 1046 CD LYS B 9 11.162 4.627 6.403 1.00 0.25 C ATOM 1047 CE LYS B 9 11.682 5.853 5.665 1.00 0.68 C ATOM 1048 NZ LYS B 9 12.833 6.487 6.355 1.00 0.91 N ATOM 0 H LYS B 9 7.558 4.749 7.486 1.00 0.18 H new ATOM 0 HA LYS B 9 9.435 2.634 6.614 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.244 4.129 9.239 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.531 3.063 8.711 1.00 0.22 H new ATOM 0 HG2 LYS B 9 9.833 5.808 7.612 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.305 5.327 8.431 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.982 3.928 6.563 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.426 4.117 5.782 1.00 0.25 H new ATOM 0 HE2 LYS B 9 11.980 5.566 4.657 1.00 0.68 H new ATOM 0 HE3 LYS B 9 10.877 6.581 5.565 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 13.149 7.316 5.813 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 12.544 6.786 7.308 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 13.613 5.803 6.428 1.00 0.91 H new ATOM 1062 N VAL B 10 8.242 0.805 7.707 1.00 0.18 N ATOM 1063 CA VAL B 10 7.483 -0.314 8.233 1.00 0.19 C ATOM 1064 C VAL B 10 7.531 -0.349 9.759 1.00 0.20 C ATOM 1065 O VAL B 10 8.548 -0.021 10.371 1.00 0.23 O ATOM 1066 CB VAL B 10 7.989 -1.655 7.636 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.650 -2.836 8.527 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.384 -1.872 6.260 1.00 0.25 C ATOM 0 H VAL B 10 8.961 0.543 7.033 1.00 0.18 H new ATOM 0 HA VAL B 10 6.443 -0.178 7.935 1.00 0.19 H new ATOM 0 HB VAL B 10 9.074 -1.589 7.561 1.00 0.21 H new ATOM 0 HG11 VAL B 10 8.022 -3.754 8.072 1.00 0.27 H new ATOM 0 HG12 VAL B 10 8.115 -2.701 9.503 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.569 -2.903 8.647 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.744 -2.815 5.849 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.297 -1.903 6.341 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.675 -1.054 5.601 1.00 0.25 H new ATOM 1078 N ASP B 11 6.385 -0.667 10.353 1.00 0.20 N ATOM 1079 CA ASP B 11 6.285 -0.936 11.780 1.00 0.21 C ATOM 1080 C ASP B 11 7.317 -1.983 12.182 1.00 0.22 C ATOM 1081 O ASP B 11 8.347 -1.646 12.762 1.00 0.25 O ATOM 1082 CB ASP B 11 4.848 -1.395 12.088 1.00 0.26 C ATOM 1083 CG ASP B 11 4.704 -2.288 13.302 1.00 1.13 C ATOM 1084 OD1 ASP B 11 4.769 -1.786 14.439 1.00 1.95 O ATOM 1085 OD2 ASP B 11 4.475 -3.501 13.107 1.00 1.86 O ATOM 0 H ASP B 11 5.498 -0.745 9.855 1.00 0.20 H new ATOM 0 HA ASP B 11 6.496 -0.037 12.360 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.224 -0.513 12.230 1.00 0.26 H new ATOM 0 HB3 ASP B 11 4.458 -1.925 11.219 1.00 0.26 H new ATOM 1090 N GLU B 12 7.025 -3.238 11.856 1.00 0.25 N ATOM 1091 CA GLU B 12 7.959 -4.357 12.004 1.00 0.28 C ATOM 1092 C GLU B 12 7.477 -5.499 11.129 1.00 0.28 C ATOM 1093 O GLU B 12 8.243 -6.130 10.400 1.00 0.32 O ATOM 1094 CB GLU B 12 8.041 -4.871 13.453 1.00 0.31 C ATOM 1095 CG GLU B 12 8.548 -3.861 14.462 1.00 0.35 C ATOM 1096 CD GLU B 12 8.761 -4.458 15.829 1.00 0.38 C ATOM 1097 OE1 GLU B 12 7.811 -4.458 16.639 1.00 1.20 O ATOM 1098 OE2 GLU B 12 9.883 -4.934 16.106 1.00 1.11 O ATOM 0 H GLU B 12 6.120 -3.514 11.475 1.00 0.25 H new ATOM 0 HA GLU B 12 8.949 -4.003 11.715 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.050 -5.204 13.761 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.693 -5.744 13.477 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.487 -3.438 14.105 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.836 -3.039 14.536 1.00 0.35 H new ATOM 1105 N LEU B 13 6.177 -5.737 11.222 1.00 0.26 N ATOM 1106 CA LEU B 13 5.509 -6.803 10.490 1.00 0.25 C ATOM 1107 C LEU B 13 5.344 -6.435 9.023 1.00 0.21 C ATOM 1108 O LEU B 13 5.183 -7.298 8.162 1.00 0.24 O ATOM 1109 CB LEU B 13 4.126 -7.020 11.093 1.00 0.27 C ATOM 1110 CG LEU B 13 4.081 -7.141 12.612 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.648 -7.005 13.091 1.00 0.64 C ATOM 1112 CD2 LEU B 13 4.678 -8.466 13.061 1.00 0.62 C ATOM 0 H LEU B 13 5.550 -5.191 11.813 1.00 0.26 H new ATOM 0 HA LEU B 13 6.114 -7.707 10.561 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.485 -6.191 10.793 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.699 -7.925 10.662 1.00 0.27 H new ATOM 0 HG LEU B 13 4.677 -6.341 13.051 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.618 -7.092 14.177 1.00 0.64 H new ATOM 0 HD12 LEU B 13 2.256 -6.033 12.794 1.00 0.64 H new ATOM 0 HD13 LEU B 13 2.040 -7.793 12.647 1.00 0.64 H new ATOM 0 HD21 LEU B 13 4.637 -8.534 14.148 1.00 0.62 H new ATOM 0 HD22 LEU B 13 4.110 -9.288 12.624 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.716 -8.527 12.733 1.00 0.62 H new ATOM 1124 N GLY B 14 5.396 -5.142 8.753 1.00 0.17 N ATOM 1125 CA GLY B 14 5.069 -4.637 7.437 1.00 0.14 C ATOM 1126 C GLY B 14 3.919 -3.656 7.506 1.00 0.10 C ATOM 1127 O GLY B 14 3.450 -3.152 6.490 1.00 0.09 O ATOM 0 H GLY B 14 5.662 -4.426 9.429 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.942 -4.150 7.003 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.806 -5.466 6.780 1.00 0.14 H new ATOM 1131 N ARG B 15 3.466 -3.392 8.724 1.00 0.10 N ATOM 1132 CA ARG B 15 2.386 -2.442 8.957 1.00 0.10 C ATOM 1133 C ARG B 15 2.882 -1.019 8.713 1.00 0.09 C ATOM 1134 O ARG B 15 3.875 -0.603 9.299 1.00 0.12 O ATOM 1135 CB ARG B 15 1.879 -2.545 10.407 1.00 0.17 C ATOM 1136 CG ARG B 15 1.435 -3.939 10.839 1.00 0.23 C ATOM 1137 CD ARG B 15 0.783 -3.913 12.213 1.00 0.42 C ATOM 1138 NE ARG B 15 1.712 -3.491 13.263 1.00 1.48 N ATOM 1139 CZ ARG B 15 1.332 -3.095 14.481 1.00 1.80 C ATOM 1140 NH1 ARG B 15 0.047 -3.097 14.814 1.00 1.45 N ATOM 1141 NH2 ARG B 15 2.239 -2.704 15.368 1.00 2.89 N ATOM 0 H ARG B 15 3.832 -3.826 9.571 1.00 0.10 H new ATOM 0 HA ARG B 15 1.573 -2.677 8.270 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.670 -2.209 11.077 1.00 0.17 H new ATOM 0 HB3 ARG B 15 1.042 -1.859 10.532 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.733 -4.341 10.109 1.00 0.23 H new ATOM 0 HG3 ARG B 15 2.296 -4.608 10.856 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.071 -3.236 12.194 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.399 -4.905 12.449 1.00 0.42 H new ATOM 0 HE ARG B 15 2.710 -3.500 13.052 1.00 1.48 H new ATOM 0 HH11 ARG B 15 -0.654 -3.402 14.139 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -0.239 -2.794 15.745 1.00 1.45 H new ATOM 0 HH21 ARG B 15 3.228 -2.705 15.120 1.00 2.89 H new ATOM 0 HH22 ARG B 15 1.946 -2.402 16.297 1.00 2.89 H new ATOM 1155 N ILE B 16 2.210 -0.275 7.848 1.00 0.09 N ATOM 1156 CA ILE B 16 2.597 1.107 7.583 1.00 0.09 C ATOM 1157 C ILE B 16 1.365 2.007 7.599 1.00 0.09 C ATOM 1158 O ILE B 16 0.251 1.542 7.832 1.00 0.10 O ATOM 1159 CB ILE B 16 3.361 1.268 6.241 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.390 1.365 5.062 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.341 0.120 6.038 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.066 1.288 3.711 1.00 0.12 C ATOM 0 H ILE B 16 1.400 -0.599 7.320 1.00 0.09 H new ATOM 0 HA ILE B 16 3.282 1.406 8.376 1.00 0.09 H new ATOM 0 HB ILE B 16 3.927 2.198 6.287 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.658 0.561 5.139 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.841 2.304 5.131 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.866 0.252 5.092 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.063 0.109 6.855 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.797 -0.824 6.022 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.316 1.363 2.924 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.778 2.107 3.613 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.592 0.338 3.621 1.00 0.12 H new ATOM 1174 N VAL B 17 1.563 3.288 7.350 1.00 0.09 N ATOM 1175 CA VAL B 17 0.478 4.248 7.448 1.00 0.09 C ATOM 1176 C VAL B 17 0.149 4.835 6.078 1.00 0.09 C ATOM 1177 O VAL B 17 0.921 5.614 5.510 1.00 0.13 O ATOM 1178 CB VAL B 17 0.784 5.380 8.472 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.183 5.947 8.281 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.260 6.491 8.384 1.00 0.11 C ATOM 0 H VAL B 17 2.462 3.688 7.079 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.394 3.708 7.816 1.00 0.09 H new ATOM 0 HB VAL B 17 0.738 4.938 9.467 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.360 6.734 9.014 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.919 5.154 8.416 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.274 6.359 7.276 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.024 7.270 9.109 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.255 6.916 7.380 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.247 6.081 8.600 1.00 0.11 H new ATOM 1190 N MET B 18 -0.997 4.441 5.544 1.00 0.09 N ATOM 1191 CA MET B 18 -1.455 4.971 4.265 1.00 0.09 C ATOM 1192 C MET B 18 -2.162 6.293 4.526 1.00 0.08 C ATOM 1193 O MET B 18 -2.811 6.453 5.564 1.00 0.15 O ATOM 1194 CB MET B 18 -2.387 3.982 3.550 1.00 0.17 C ATOM 1195 CG MET B 18 -1.836 2.561 3.478 1.00 0.20 C ATOM 1196 SD MET B 18 -0.183 2.483 2.749 1.00 0.90 S ATOM 1197 CE MET B 18 -0.494 2.996 1.063 1.00 0.50 C ATOM 0 H MET B 18 -1.625 3.760 5.972 1.00 0.09 H new ATOM 0 HA MET B 18 -0.600 5.128 3.607 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.347 3.964 4.066 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.575 4.341 2.538 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.805 2.137 4.482 1.00 0.20 H new ATOM 0 HG3 MET B 18 -2.516 1.942 2.892 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.047 2.343 0.378 1.00 0.50 H new ATOM 0 HE2 MET B 18 -1.562 2.935 0.855 1.00 0.50 H new ATOM 0 HE3 MET B 18 -0.156 4.023 0.927 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.048 7.276 3.623 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.457 8.624 3.924 1.00 0.11 C ATOM 1209 C PRO B 19 -3.912 8.929 3.591 1.00 0.12 C ATOM 1210 O PRO B 19 -4.600 8.185 2.873 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.510 9.468 3.070 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.077 8.590 1.936 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.533 7.172 2.252 1.00 0.14 C ATOM 0 HA PRO B 19 -2.401 8.823 4.994 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.012 10.362 2.700 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.652 9.802 3.654 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.514 8.933 0.998 1.00 0.19 H new ATOM 0 HG3 PRO B 19 0.006 8.626 1.815 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.303 6.834 1.558 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.709 6.461 2.185 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.376 10.037 4.145 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.686 10.581 3.840 1.00 0.17 C ATOM 1223 C ILE B 20 -5.902 10.669 2.332 1.00 0.16 C ATOM 1224 O ILE B 20 -7.012 10.497 1.854 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.846 11.981 4.460 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.138 12.647 3.974 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.621 12.838 4.155 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.387 12.081 4.611 1.00 0.27 C ATOM 0 H ILE B 20 -3.849 10.587 4.824 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.432 9.909 4.266 1.00 0.17 H new ATOM 0 HB ILE B 20 -5.921 11.879 5.543 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.086 13.716 4.182 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.210 12.536 2.892 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -4.748 13.825 4.599 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.732 12.364 4.572 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.507 12.938 3.076 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.262 12.600 4.220 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.463 11.018 4.382 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.338 12.216 5.691 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.827 10.922 1.595 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.865 10.979 0.136 1.00 0.18 C ATOM 1242 C GLU B 21 -5.459 9.703 -0.428 1.00 0.14 C ATOM 1243 O GLU B 21 -6.241 9.736 -1.369 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.454 11.127 -0.399 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.522 11.816 0.580 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.401 13.299 0.308 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -3.215 14.073 0.853 1.00 1.23 O ATOM 1248 OE2 GLU B 21 -1.503 13.695 -0.457 1.00 0.98 O ATOM 0 H GLU B 21 -3.903 11.094 1.991 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.478 11.829 -0.162 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.056 10.141 -0.639 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.481 11.695 -1.329 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -2.888 11.663 1.595 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.535 11.357 0.524 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.090 8.585 0.181 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.562 7.285 -0.251 1.00 0.13 C ATOM 1257 C LEU B 22 -7.020 7.130 0.125 1.00 0.14 C ATOM 1258 O LEU B 22 -7.818 6.570 -0.626 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.707 6.173 0.382 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.468 4.937 0.882 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.659 3.677 0.621 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.765 5.064 2.374 1.00 0.21 C ATOM 0 H LEU B 22 -4.460 8.557 0.982 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.469 7.203 -1.334 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.969 5.848 -0.352 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.156 6.599 1.221 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.411 4.870 0.339 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.211 2.809 0.981 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.480 3.575 -0.449 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.705 3.742 1.144 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.305 4.180 2.714 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -4.829 5.152 2.925 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.374 5.951 2.550 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.366 7.647 1.293 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.737 7.585 1.771 1.00 0.19 C ATOM 1276 C ARG B 23 -9.657 8.404 0.869 1.00 0.20 C ATOM 1277 O ARG B 23 -10.736 7.945 0.483 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.800 8.077 3.222 1.00 0.24 C ATOM 1279 CG ARG B 23 -7.701 7.472 4.087 1.00 0.28 C ATOM 1280 CD ARG B 23 -7.920 7.696 5.581 1.00 0.52 C ATOM 1281 NE ARG B 23 -8.663 8.919 5.884 1.00 0.83 N ATOM 1282 CZ ARG B 23 -8.853 9.380 7.121 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -8.319 8.742 8.157 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -9.577 10.475 7.317 1.00 1.75 N ATOM 0 H ARG B 23 -6.717 8.114 1.927 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.081 6.551 1.741 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.715 9.164 3.239 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -9.772 7.826 3.646 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -7.642 6.401 3.892 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -6.742 7.902 3.798 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -8.457 6.842 5.994 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -6.952 7.735 6.080 1.00 0.52 H new ATOM 0 HE ARG B 23 -9.058 9.448 5.106 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -7.764 7.900 8.006 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -8.464 9.095 9.103 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -9.988 10.964 6.522 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -9.722 10.828 8.263 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.219 9.620 0.567 1.00 0.21 N ATOM 1299 CA ARG B 24 -9.890 10.496 -0.390 1.00 0.23 C ATOM 1300 C ARG B 24 -9.989 9.832 -1.752 1.00 0.22 C ATOM 1301 O ARG B 24 -11.069 9.743 -2.330 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.107 11.808 -0.532 1.00 0.24 C ATOM 1303 CG ARG B 24 -8.948 12.570 0.763 1.00 0.28 C ATOM 1304 CD ARG B 24 -7.762 13.519 0.700 1.00 0.32 C ATOM 1305 NE ARG B 24 -7.923 14.571 -0.300 1.00 0.48 N ATOM 1306 CZ ARG B 24 -6.915 15.306 -0.771 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -5.678 15.096 -0.335 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -7.137 16.251 -1.672 1.00 1.00 N ATOM 0 H ARG B 24 -8.382 10.031 0.981 1.00 0.21 H new ATOM 0 HA ARG B 24 -10.895 10.698 -0.019 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.119 11.588 -0.936 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.613 12.445 -1.257 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -9.858 13.134 0.970 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.813 11.869 1.586 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.617 13.976 1.679 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -6.860 12.949 0.477 1.00 0.32 H new ATOM 0 HE ARG B 24 -8.860 14.754 -0.659 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -5.498 14.372 0.361 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -4.908 15.659 -0.696 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -8.084 16.421 -2.010 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -6.361 16.809 -2.028 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.844 9.385 -2.252 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.746 8.732 -3.549 1.00 0.22 C ATOM 1324 C ALA B 25 -9.770 7.624 -3.724 1.00 0.23 C ATOM 1325 O ALA B 25 -10.516 7.596 -4.703 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.358 8.136 -3.701 1.00 0.22 C ATOM 0 H ALA B 25 -7.952 9.466 -1.765 1.00 0.21 H new ATOM 0 HA ALA B 25 -8.940 9.489 -4.309 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.277 7.645 -4.671 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.612 8.928 -3.632 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.187 7.407 -2.909 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.801 6.715 -2.767 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.601 5.515 -2.897 1.00 0.28 C ATOM 1334 C LEU B 26 -11.973 5.685 -2.254 1.00 0.30 C ATOM 1335 O LEU B 26 -12.938 6.072 -2.914 1.00 0.37 O ATOM 1336 CB LEU B 26 -9.876 4.327 -2.259 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.412 4.149 -2.669 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -7.805 2.938 -1.979 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.290 4.014 -4.172 1.00 0.35 C ATOM 0 H LEU B 26 -9.281 6.786 -1.892 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.746 5.327 -3.961 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -9.921 4.436 -1.175 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.419 3.416 -2.510 1.00 0.27 H new ATOM 0 HG LEU B 26 -7.862 5.037 -2.356 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -6.764 2.829 -2.284 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -7.854 3.072 -0.898 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.361 2.043 -2.259 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.241 3.888 -4.442 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -8.857 3.146 -4.507 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -8.683 4.911 -4.651 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.025 5.418 -0.955 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.270 5.354 -0.194 1.00 0.36 C ATOM 1353 C ASP B 27 -12.945 4.806 1.191 1.00 0.42 C ATOM 1354 O ASP B 27 -13.471 3.782 1.625 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.309 4.462 -0.905 1.00 0.45 C ATOM 1356 CG ASP B 27 -15.595 4.284 -0.116 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.094 5.268 0.466 1.00 1.57 O ATOM 1358 OD2 ASP B 27 -16.106 3.140 -0.064 1.00 1.77 O ATOM 0 H ASP B 27 -11.194 5.237 -0.392 1.00 0.32 H new ATOM 0 HA ASP B 27 -13.707 6.349 -0.112 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.545 4.896 -1.876 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -13.868 3.483 -1.092 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.019 5.463 1.860 1.00 0.28 N ATOM 1364 CA ILE B 28 -11.573 5.006 3.167 1.00 0.29 C ATOM 1365 C ILE B 28 -12.167 5.886 4.258 1.00 0.32 C ATOM 1366 O ILE B 28 -12.226 7.112 4.119 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.022 4.948 3.264 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.478 3.736 2.490 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -9.553 4.890 4.708 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -9.710 3.792 1.004 1.00 0.28 C ATOM 0 H ILE B 28 -11.561 6.311 1.525 1.00 0.28 H new ATOM 0 HA ILE B 28 -11.931 3.987 3.309 1.00 0.29 H new ATOM 0 HB ILE B 28 -9.634 5.863 2.818 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.407 3.653 2.675 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -9.941 2.831 2.884 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -8.464 4.850 4.736 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -9.897 5.778 5.238 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -9.961 4.000 5.187 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.295 2.899 0.537 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -10.780 3.842 0.804 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.223 4.676 0.593 1.00 0.28 H new ATOM 1382 N ALA B 29 -12.627 5.255 5.327 1.00 0.38 N ATOM 1383 CA ALA B 29 -13.383 5.957 6.351 1.00 0.40 C ATOM 1384 C ALA B 29 -12.815 5.731 7.748 1.00 0.39 C ATOM 1385 O ALA B 29 -12.791 6.652 8.564 1.00 0.47 O ATOM 1386 CB ALA B 29 -14.839 5.523 6.291 1.00 0.39 C ATOM 0 H ALA B 29 -12.490 4.260 5.507 1.00 0.38 H new ATOM 0 HA ALA B 29 -13.307 7.026 6.150 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -15.407 6.049 7.058 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -15.249 5.760 5.309 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -14.906 4.449 6.462 1.00 0.39 H new ATOM 1392 N ILE B 30 -12.346 4.519 8.018 1.00 0.35 N ATOM 1393 CA ILE B 30 -11.871 4.158 9.353 1.00 0.36 C ATOM 1394 C ILE B 30 -11.464 2.689 9.377 1.00 0.37 C ATOM 1395 O ILE B 30 -10.506 2.315 10.041 1.00 0.47 O ATOM 1396 CB ILE B 30 -12.944 4.453 10.450 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.320 4.482 11.860 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -14.100 3.453 10.387 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -12.131 3.124 12.509 1.00 0.39 C ATOM 0 H ILE B 30 -12.283 3.767 7.331 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.001 4.775 9.581 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.348 5.444 10.244 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.351 4.977 11.801 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.951 5.092 12.507 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.827 3.688 11.164 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.580 3.513 9.410 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.717 2.444 10.542 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.686 3.251 13.496 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -13.098 2.630 12.607 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.473 2.514 11.891 1.00 0.39 H new ATOM 1411 N LYS B 31 -12.200 1.871 8.634 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.906 0.450 8.525 1.00 0.37 C ATOM 1413 C LYS B 31 -11.924 0.044 7.060 1.00 0.36 C ATOM 1414 O LYS B 31 -11.061 -0.702 6.607 1.00 0.52 O ATOM 1415 CB LYS B 31 -12.920 -0.381 9.314 1.00 0.40 C ATOM 1416 CG LYS B 31 -12.953 -0.054 10.800 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.566 -1.253 11.650 1.00 0.32 C ATOM 1418 CE LYS B 31 -11.159 -1.733 11.331 1.00 0.33 C ATOM 1419 NZ LYS B 31 -10.726 -2.827 12.237 1.00 0.39 N ATOM 0 H LYS B 31 -13.011 2.172 8.094 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.918 0.262 8.945 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -13.913 -0.222 8.894 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -12.687 -1.438 9.188 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -12.272 0.772 11.006 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -13.953 0.280 11.077 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.630 -0.988 12.705 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -13.275 -2.064 11.481 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -11.120 -2.080 10.299 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -10.464 -0.898 11.413 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -9.762 -3.125 11.985 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -10.738 -2.489 13.220 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -11.374 -3.635 12.141 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.932 0.560 6.339 1.00 0.24 N ATOM 1434 CA ASP B 32 -13.013 0.478 4.874 1.00 0.23 C ATOM 1435 C ASP B 32 -12.563 -0.869 4.312 1.00 0.34 C ATOM 1436 O ASP B 32 -13.200 -1.879 4.595 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.258 1.657 4.235 1.00 0.26 C ATOM 1438 CG ASP B 32 -11.105 2.110 5.075 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -11.334 2.945 5.983 1.00 1.79 O ATOM 1440 OD2 ASP B 32 -9.985 1.633 4.838 1.00 1.83 O ATOM 0 H ASP B 32 -13.720 1.050 6.762 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.067 0.553 4.606 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -11.895 1.363 3.250 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -12.946 2.489 4.086 1.00 0.26 H new ATOM 1445 N SER B 33 -11.448 -0.889 3.570 1.00 0.23 N ATOM 1446 CA SER B 33 -11.016 -2.060 2.788 1.00 0.17 C ATOM 1447 C SER B 33 -9.874 -1.671 1.863 1.00 0.17 C ATOM 1448 O SER B 33 -10.030 -0.771 1.042 1.00 0.24 O ATOM 1449 CB SER B 33 -12.128 -2.604 1.887 1.00 0.18 C ATOM 1450 OG SER B 33 -13.106 -3.341 2.598 1.00 0.22 O ATOM 0 H SER B 33 -10.816 -0.092 3.493 1.00 0.23 H new ATOM 0 HA SER B 33 -10.723 -2.818 3.514 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.610 -1.773 1.373 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.688 -3.241 1.120 1.00 0.18 H new ATOM 0 HG SER B 33 -13.539 -2.759 3.257 1.00 0.22 H new ATOM 1456 N ILE B 34 -8.733 -2.334 1.975 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.674 -2.140 0.995 1.00 0.16 C ATOM 1458 C ILE B 34 -7.089 -3.479 0.583 1.00 0.14 C ATOM 1459 O ILE B 34 -6.504 -4.176 1.399 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.511 -1.247 1.496 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -6.992 -0.100 2.385 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -5.754 -0.689 0.306 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.145 -0.496 3.832 1.00 0.40 C ATOM 0 H ILE B 34 -8.518 -2.998 2.719 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.147 -1.632 0.155 1.00 0.16 H new ATOM 0 HB ILE B 34 -5.857 -1.873 2.104 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.286 0.727 2.314 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -7.949 0.264 2.011 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -4.936 -0.061 0.657 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.352 -1.510 -0.287 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.430 -0.094 -0.309 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -7.489 0.362 4.410 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -7.873 -1.303 3.913 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.184 -0.833 4.220 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.228 -3.819 -0.681 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.704 -5.075 -1.189 1.00 0.13 C ATOM 1477 C GLU B 35 -5.554 -4.771 -2.135 1.00 0.12 C ATOM 1478 O GLU B 35 -5.677 -3.893 -2.997 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.801 -5.886 -1.897 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.328 -7.245 -2.399 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.447 -8.097 -2.974 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -8.712 -8.006 -4.191 1.00 1.21 O ATOM 1483 OE2 GLU B 35 -9.048 -8.884 -2.222 1.00 1.24 O ATOM 0 H GLU B 35 -7.700 -3.244 -1.379 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.344 -5.683 -0.359 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.634 -6.032 -1.209 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.181 -5.309 -2.740 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.565 -7.097 -3.163 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -6.856 -7.784 -1.577 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.434 -5.469 -1.973 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.239 -5.102 -2.730 1.00 0.11 C ATOM 1492 C PHE B 36 -2.828 -6.140 -3.774 1.00 0.13 C ATOM 1493 O PHE B 36 -3.116 -7.337 -3.669 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.039 -4.798 -1.820 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.352 -4.725 -0.355 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.081 -3.666 0.157 1.00 1.22 C ATOM 1497 CD2 PHE B 36 -1.904 -5.706 0.513 1.00 1.14 C ATOM 1498 CE1 PHE B 36 -3.360 -3.589 1.504 1.00 1.29 C ATOM 1499 CE2 PHE B 36 -2.178 -5.632 1.863 1.00 1.13 C ATOM 1500 CZ PHE B 36 -2.908 -4.573 2.357 1.00 0.37 C ATOM 0 H PHE B 36 -4.327 -6.267 -1.346 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.527 -4.194 -3.260 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.281 -5.566 -1.976 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.600 -3.850 -2.129 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.435 -2.891 -0.507 1.00 1.22 H new ATOM 0 HD2 PHE B 36 -1.334 -6.539 0.129 1.00 1.14 H new ATOM 0 HE1 PHE B 36 -3.932 -2.759 1.891 1.00 1.29 H new ATOM 0 HE2 PHE B 36 -1.821 -6.402 2.531 1.00 1.13 H new ATOM 0 HZ PHE B 36 -3.126 -4.514 3.413 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.149 -5.622 -4.785 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.574 -6.386 -5.879 1.00 0.17 C ATOM 1512 C PHE B 37 -0.072 -6.189 -5.836 1.00 0.15 C ATOM 1513 O PHE B 37 0.398 -5.180 -5.325 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.149 -5.850 -7.199 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.817 -6.635 -8.439 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.604 -6.465 -9.088 1.00 1.17 C ATOM 1517 CD2 PHE B 37 -2.738 -7.522 -8.972 1.00 1.22 C ATOM 1518 CE1 PHE B 37 -0.314 -7.167 -10.240 1.00 1.21 C ATOM 1519 CE2 PHE B 37 -2.452 -8.230 -10.121 1.00 1.22 C ATOM 1520 CZ PHE B 37 -1.240 -8.052 -10.757 1.00 0.36 C ATOM 0 H PHE B 37 -1.977 -4.620 -4.869 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.808 -7.447 -5.797 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.234 -5.802 -7.105 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -1.795 -4.828 -7.336 1.00 0.21 H new ATOM 0 HD1 PHE B 37 0.123 -5.774 -8.687 1.00 1.17 H new ATOM 0 HD2 PHE B 37 -3.691 -7.661 -8.483 1.00 1.22 H new ATOM 0 HE1 PHE B 37 0.635 -7.025 -10.736 1.00 1.21 H new ATOM 0 HE2 PHE B 37 -3.176 -8.923 -10.523 1.00 1.22 H new ATOM 0 HZ PHE B 37 -1.016 -8.604 -11.658 1.00 0.36 H new ATOM 1530 N VAL B 38 0.678 -7.143 -6.332 1.00 0.18 N ATOM 1531 CA VAL B 38 2.112 -6.977 -6.423 1.00 0.18 C ATOM 1532 C VAL B 38 2.602 -7.304 -7.821 1.00 0.24 C ATOM 1533 O VAL B 38 2.390 -8.401 -8.333 1.00 0.30 O ATOM 1534 CB VAL B 38 2.862 -7.811 -5.365 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.433 -9.271 -5.389 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.369 -7.688 -5.549 1.00 0.25 C ATOM 0 H VAL B 38 0.325 -8.036 -6.677 1.00 0.18 H new ATOM 0 HA VAL B 38 2.331 -5.930 -6.216 1.00 0.18 H new ATOM 0 HB VAL B 38 2.599 -7.409 -4.386 1.00 0.24 H new ATOM 0 HG11 VAL B 38 2.984 -9.825 -4.629 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.365 -9.340 -5.184 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.642 -9.696 -6.371 1.00 0.34 H new ATOM 0 HG21 VAL B 38 4.878 -8.284 -4.792 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.645 -8.048 -6.540 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.664 -6.644 -5.447 1.00 0.25 H new ATOM 1546 N ASP B 39 3.243 -6.328 -8.433 1.00 0.27 N ATOM 1547 CA ASP B 39 3.697 -6.454 -9.803 1.00 0.34 C ATOM 1548 C ASP B 39 5.206 -6.357 -9.859 1.00 0.35 C ATOM 1549 O ASP B 39 5.758 -5.257 -9.889 1.00 0.30 O ATOM 1550 CB ASP B 39 3.081 -5.357 -10.668 1.00 0.35 C ATOM 1551 CG ASP B 39 3.296 -5.607 -12.147 1.00 0.52 C ATOM 1552 OD1 ASP B 39 2.510 -6.372 -12.741 1.00 1.35 O ATOM 1553 OD2 ASP B 39 4.238 -5.026 -12.725 1.00 1.08 O ATOM 0 H ASP B 39 3.462 -5.432 -7.998 1.00 0.27 H new ATOM 0 HA ASP B 39 3.384 -7.426 -10.185 1.00 0.34 H new ATOM 0 HB2 ASP B 39 2.012 -5.292 -10.464 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.516 -4.395 -10.397 1.00 0.35 H new ATOM 1558 N GLY B 40 5.865 -7.509 -9.836 1.00 0.43 N ATOM 1559 CA GLY B 40 7.313 -7.550 -9.890 1.00 0.48 C ATOM 1560 C GLY B 40 7.967 -6.894 -8.685 1.00 0.42 C ATOM 1561 O GLY B 40 8.300 -7.562 -7.705 1.00 0.47 O ATOM 0 H GLY B 40 5.417 -8.424 -9.780 1.00 0.43 H new ATOM 0 HA2 GLY B 40 7.640 -8.588 -9.955 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.652 -7.051 -10.798 1.00 0.48 H new ATOM 1565 N ASP B 41 8.139 -5.585 -8.764 1.00 0.34 N ATOM 1566 CA ASP B 41 8.768 -4.804 -7.708 1.00 0.31 C ATOM 1567 C ASP B 41 7.850 -3.670 -7.296 1.00 0.22 C ATOM 1568 O ASP B 41 8.291 -2.654 -6.757 1.00 0.26 O ATOM 1569 CB ASP B 41 10.105 -4.230 -8.186 1.00 0.38 C ATOM 1570 CG ASP B 41 9.978 -3.358 -9.425 1.00 1.04 C ATOM 1571 OD1 ASP B 41 9.694 -2.152 -9.290 1.00 1.74 O ATOM 1572 OD2 ASP B 41 10.180 -3.878 -10.542 1.00 1.81 O ATOM 0 H ASP B 41 7.845 -5.029 -9.567 1.00 0.34 H new ATOM 0 HA ASP B 41 8.951 -5.457 -6.855 1.00 0.31 H new ATOM 0 HB2 ASP B 41 10.549 -3.643 -7.382 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.790 -5.051 -8.397 1.00 0.38 H new ATOM 1577 N LYS B 42 6.571 -3.847 -7.555 1.00 0.18 N ATOM 1578 CA LYS B 42 5.590 -2.815 -7.295 1.00 0.13 C ATOM 1579 C LYS B 42 4.392 -3.360 -6.526 1.00 0.11 C ATOM 1580 O LYS B 42 4.090 -4.549 -6.597 1.00 0.15 O ATOM 1581 CB LYS B 42 5.153 -2.232 -8.633 1.00 0.12 C ATOM 1582 CG LYS B 42 3.788 -1.581 -8.619 1.00 0.14 C ATOM 1583 CD LYS B 42 3.497 -0.935 -9.953 1.00 0.33 C ATOM 1584 CE LYS B 42 3.862 -1.868 -11.099 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.770 -1.198 -12.424 1.00 0.55 N ATOM 0 H LYS B 42 6.184 -4.705 -7.949 1.00 0.18 H new ATOM 0 HA LYS B 42 6.035 -2.040 -6.671 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.890 -1.495 -8.951 1.00 0.12 H new ATOM 0 HB3 LYS B 42 5.155 -3.027 -9.379 1.00 0.12 H new ATOM 0 HG2 LYS B 42 3.025 -2.327 -8.395 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.744 -0.832 -7.828 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.440 -0.675 -10.013 1.00 0.33 H new ATOM 0 HD3 LYS B 42 4.060 -0.006 -10.042 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.876 -2.241 -10.952 1.00 0.75 H new ATOM 0 HE3 LYS B 42 3.199 -2.733 -11.085 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 4.028 -1.872 -13.173 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 2.797 -0.865 -12.578 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 4.421 -0.388 -12.449 1.00 0.55 H new ATOM 1599 N ILE B 43 3.717 -2.485 -5.796 1.00 0.09 N ATOM 1600 CA ILE B 43 2.504 -2.846 -5.084 1.00 0.08 C ATOM 1601 C ILE B 43 1.352 -1.971 -5.574 1.00 0.06 C ATOM 1602 O ILE B 43 1.565 -0.830 -5.972 1.00 0.07 O ATOM 1603 CB ILE B 43 2.695 -2.677 -3.559 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.719 -3.686 -3.025 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.377 -2.802 -2.811 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.226 -5.122 -3.009 1.00 0.22 C ATOM 0 H ILE B 43 3.994 -1.510 -5.682 1.00 0.09 H new ATOM 0 HA ILE B 43 2.274 -3.893 -5.281 1.00 0.08 H new ATOM 0 HB ILE B 43 3.077 -1.671 -3.386 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.620 -3.630 -3.635 1.00 0.15 H new ATOM 0 HG13 ILE B 43 4.001 -3.399 -2.012 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.552 -2.678 -1.742 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.687 -2.032 -3.158 1.00 0.10 H new ATOM 0 HG23 ILE B 43 0.946 -3.786 -2.996 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.009 -5.771 -2.618 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.343 -5.196 -2.375 1.00 0.22 H new ATOM 0 HD13 ILE B 43 2.972 -5.431 -4.023 1.00 0.22 H new ATOM 1618 N ILE B 44 0.152 -2.523 -5.577 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.038 -1.812 -6.039 1.00 0.08 C ATOM 1620 C ILE B 44 -2.144 -1.931 -4.997 1.00 0.10 C ATOM 1621 O ILE B 44 -2.325 -2.994 -4.430 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.543 -2.393 -7.378 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.405 -2.423 -8.403 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.727 -1.591 -7.900 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.817 -2.942 -9.764 1.00 0.14 C ATOM 0 H ILE B 44 -0.030 -3.475 -5.261 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.773 -0.765 -6.187 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.881 -3.416 -7.210 1.00 0.11 H new ATOM 0 HG12 ILE B 44 -0.004 -1.416 -8.516 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.402 -3.046 -8.017 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -3.067 -2.017 -8.844 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.538 -1.625 -7.173 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.424 -0.556 -8.057 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.044 -2.932 -10.433 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -1.190 -3.962 -9.667 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.602 -2.306 -10.173 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.885 -0.861 -4.737 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.920 -0.899 -3.705 1.00 0.09 C ATOM 1639 C LEU B 45 -5.269 -0.476 -4.264 1.00 0.12 C ATOM 1640 O LEU B 45 -5.343 0.401 -5.133 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.563 0.005 -2.518 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.666 -0.612 -1.438 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.301 -0.951 -1.993 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.531 0.337 -0.259 1.00 0.26 C ATOM 0 H LEU B 45 -2.793 0.034 -5.218 1.00 0.08 H new ATOM 0 HA LEU B 45 -3.981 -1.931 -3.359 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.069 0.897 -2.904 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.490 0.332 -2.047 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.134 -1.536 -1.098 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.686 -1.387 -1.206 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.407 -1.667 -2.808 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.824 -0.044 -2.366 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -1.892 -0.114 0.500 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.089 1.275 -0.595 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.516 0.532 0.166 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.322 -1.120 -3.774 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.695 -0.744 -4.105 1.00 0.19 C ATOM 1658 C LYS B 46 -8.578 -0.899 -2.879 1.00 0.19 C ATOM 1659 O LYS B 46 -8.245 -1.641 -1.960 1.00 0.34 O ATOM 1660 CB LYS B 46 -8.249 -1.644 -5.215 1.00 0.40 C ATOM 1661 CG LYS B 46 -8.509 -3.066 -4.740 1.00 0.92 C ATOM 1662 CD LYS B 46 -9.263 -3.896 -5.760 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.655 -5.238 -5.160 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.288 -6.140 -6.152 1.00 1.20 N ATOM 0 H LYS B 46 -6.251 -1.915 -3.138 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.691 0.292 -4.444 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -9.177 -1.216 -5.595 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.544 -1.666 -6.046 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -7.558 -3.549 -4.516 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -9.078 -3.036 -3.811 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -10.155 -3.361 -6.087 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -8.643 -4.051 -6.643 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -8.769 -5.721 -4.748 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.344 -5.075 -4.331 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.214 -7.124 -5.823 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -11.291 -5.886 -6.262 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -9.804 -6.043 -7.067 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.697 -0.200 -2.862 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.732 -0.482 -1.879 1.00 0.18 C ATOM 1680 C LYS B 47 -11.535 -1.668 -2.400 1.00 0.21 C ATOM 1681 O LYS B 47 -11.806 -1.755 -3.595 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.619 0.751 -1.631 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.308 0.770 -0.262 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.642 0.045 -0.270 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.325 0.082 1.092 1.00 0.42 C ATOM 1686 NZ LYS B 47 -14.739 1.454 1.485 1.00 0.76 N ATOM 0 H LYS B 47 -9.914 0.559 -3.508 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.290 -0.727 -0.913 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.008 1.649 -1.729 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.381 0.797 -2.409 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -11.653 0.309 0.477 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -12.462 1.803 0.049 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.296 0.499 -1.015 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.488 -0.992 -0.570 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.201 -0.567 1.073 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -13.647 -0.319 1.846 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -15.198 1.424 2.418 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -13.902 2.070 1.530 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -15.407 1.830 0.782 1.00 0.76 H new ATOM 1700 N TYR B 48 -11.887 -2.585 -1.514 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.452 -3.871 -1.918 1.00 0.25 C ATOM 1702 C TYR B 48 -13.840 -3.707 -2.524 1.00 0.35 C ATOM 1703 O TYR B 48 -14.151 -4.295 -3.557 1.00 0.38 O ATOM 1704 CB TYR B 48 -12.537 -4.797 -0.711 1.00 0.33 C ATOM 1705 CG TYR B 48 -12.920 -6.218 -1.053 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.003 -7.078 -1.642 1.00 1.30 C ATOM 1707 CD2 TYR B 48 -14.196 -6.700 -0.788 1.00 1.05 C ATOM 1708 CE1 TYR B 48 -12.345 -8.376 -1.958 1.00 1.37 C ATOM 1709 CE2 TYR B 48 -14.545 -7.999 -1.101 1.00 1.08 C ATOM 1710 CZ TYR B 48 -13.614 -8.832 -1.686 1.00 0.63 C ATOM 1711 OH TYR B 48 -13.954 -10.128 -1.998 1.00 0.76 O ATOM 0 H TYR B 48 -11.793 -2.466 -0.505 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.796 -4.300 -2.676 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -11.573 -4.804 -0.202 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.266 -4.394 -0.008 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.005 -6.725 -1.856 1.00 1.30 H new ATOM 0 HD2 TYR B 48 -14.926 -6.049 -0.330 1.00 1.05 H new ATOM 0 HE1 TYR B 48 -11.620 -9.032 -2.417 1.00 1.37 H new ATOM 0 HE2 TYR B 48 -15.540 -8.360 -0.889 1.00 1.08 H new ATOM 0 HH TYR B 48 -14.885 -10.293 -1.741 1.00 0.76 H new ATOM 1721 N LYS B 49 -14.665 -2.933 -1.839 1.00 0.47 N ATOM 1722 CA LYS B 49 -16.040 -2.667 -2.261 1.00 0.65 C ATOM 1723 C LYS B 49 -16.134 -2.239 -3.741 1.00 0.73 C ATOM 1724 O LYS B 49 -16.824 -2.903 -4.520 1.00 0.85 O ATOM 1725 CB LYS B 49 -16.666 -1.624 -1.329 1.00 0.75 C ATOM 1726 CG LYS B 49 -18.162 -1.433 -1.521 1.00 1.04 C ATOM 1727 CD LYS B 49 -18.926 -2.738 -1.363 1.00 1.62 C ATOM 1728 CE LYS B 49 -18.680 -3.386 -0.008 1.00 2.34 C ATOM 1729 NZ LYS B 49 -19.467 -4.637 0.152 1.00 3.00 N ATOM 0 H LYS B 49 -14.404 -2.467 -0.970 1.00 0.47 H new ATOM 0 HA LYS B 49 -16.604 -3.597 -2.187 1.00 0.65 H new ATOM 0 HB2 LYS B 49 -16.478 -1.917 -0.296 1.00 0.75 H new ATOM 0 HB3 LYS B 49 -16.166 -0.668 -1.485 1.00 0.75 H new ATOM 0 HG2 LYS B 49 -18.531 -0.707 -0.797 1.00 1.04 H new ATOM 0 HG3 LYS B 49 -18.351 -1.020 -2.512 1.00 1.04 H new ATOM 0 HD2 LYS B 49 -19.993 -2.550 -1.486 1.00 1.62 H new ATOM 0 HD3 LYS B 49 -18.631 -3.428 -2.153 1.00 1.62 H new ATOM 0 HE2 LYS B 49 -17.618 -3.607 0.103 1.00 2.34 H new ATOM 0 HE3 LYS B 49 -18.944 -2.686 0.784 1.00 2.34 H new ATOM 0 HZ1 LYS B 49 -19.275 -5.051 1.086 1.00 3.00 H new ATOM 0 HZ2 LYS B 49 -20.481 -4.422 0.071 1.00 3.00 H new ATOM 0 HZ3 LYS B 49 -19.196 -5.315 -0.589 1.00 3.00 H new ATOM 1743 N PRO B 50 -15.472 -1.134 -4.169 1.00 0.72 N ATOM 1744 CA PRO B 50 -15.422 -0.779 -5.588 1.00 0.88 C ATOM 1745 C PRO B 50 -14.575 -1.770 -6.374 1.00 0.96 C ATOM 1746 O PRO B 50 -13.795 -2.521 -5.789 1.00 1.49 O ATOM 1747 CB PRO B 50 -14.787 0.612 -5.605 1.00 0.94 C ATOM 1748 CG PRO B 50 -14.013 0.695 -4.339 1.00 0.92 C ATOM 1749 CD PRO B 50 -14.753 -0.151 -3.339 1.00 0.62 C ATOM 0 HA PRO B 50 -16.408 -0.796 -6.053 1.00 0.88 H new ATOM 0 HB2 PRO B 50 -14.140 0.740 -6.473 1.00 0.94 H new ATOM 0 HB3 PRO B 50 -15.546 1.392 -5.656 1.00 0.94 H new ATOM 0 HG2 PRO B 50 -12.995 0.331 -4.480 1.00 0.92 H new ATOM 0 HG3 PRO B 50 -13.937 1.727 -3.996 1.00 0.92 H new ATOM 0 HD2 PRO B 50 -14.069 -0.639 -2.645 1.00 0.62 H new ATOM 0 HD3 PRO B 50 -15.441 0.447 -2.742 1.00 0.62 H new ATOM 1757 N HIS B 51 -14.728 -1.757 -7.697 1.00 1.41 N ATOM 1758 CA HIS B 51 -14.086 -2.737 -8.581 1.00 1.55 C ATOM 1759 C HIS B 51 -14.767 -4.092 -8.451 1.00 1.83 C ATOM 1760 O HIS B 51 -15.340 -4.600 -9.415 1.00 2.39 O ATOM 1761 CB HIS B 51 -12.582 -2.906 -8.288 1.00 2.03 C ATOM 1762 CG HIS B 51 -11.708 -1.776 -8.735 1.00 2.93 C ATOM 1763 ND1 HIS B 51 -10.709 -1.933 -9.671 1.00 3.73 N ATOM 1764 CD2 HIS B 51 -11.650 -0.482 -8.340 1.00 3.63 C ATOM 1765 CE1 HIS B 51 -10.075 -0.788 -9.832 1.00 4.57 C ATOM 1766 NE2 HIS B 51 -10.624 0.107 -9.035 1.00 4.53 N ATOM 0 H HIS B 51 -15.299 -1.069 -8.189 1.00 1.41 H new ATOM 0 HA HIS B 51 -14.191 -2.353 -9.596 1.00 1.55 H new ATOM 0 HB2 HIS B 51 -12.452 -3.040 -7.214 1.00 2.03 H new ATOM 0 HB3 HIS B 51 -12.237 -3.822 -8.768 1.00 2.03 H new ATOM 0 HD2 HIS B 51 -12.291 -0.004 -7.614 1.00 3.63 H new ATOM 0 HE1 HIS B 51 -9.247 -0.613 -10.503 1.00 4.57 H new ATOM 0 HE2 HIS B 51 -10.333 1.081 -8.949 1.00 4.53 H new ATOM 1775 N GLY B 52 -14.711 -4.670 -7.255 1.00 2.12 N ATOM 1776 CA GLY B 52 -15.230 -6.006 -7.050 1.00 2.80 C ATOM 1777 C GLY B 52 -14.259 -7.049 -7.540 1.00 2.86 C ATOM 1778 O GLY B 52 -13.687 -7.813 -6.761 1.00 3.07 O ATOM 0 H GLY B 52 -14.314 -4.234 -6.423 1.00 2.12 H new ATOM 0 HA2 GLY B 52 -15.431 -6.162 -5.990 1.00 2.80 H new ATOM 0 HA3 GLY B 52 -16.180 -6.115 -7.574 1.00 2.80 H new ATOM 1782 N VAL B 53 -14.075 -7.056 -8.846 1.00 3.08 N ATOM 1783 CA VAL B 53 -13.111 -7.924 -9.505 1.00 3.27 C ATOM 1784 C VAL B 53 -11.688 -7.553 -9.085 1.00 2.62 C ATOM 1785 O VAL B 53 -11.457 -6.449 -8.581 1.00 2.40 O ATOM 1786 CB VAL B 53 -13.268 -7.831 -11.043 1.00 4.11 C ATOM 1787 CG1 VAL B 53 -12.850 -6.459 -11.554 1.00 4.23 C ATOM 1788 CG2 VAL B 53 -12.495 -8.934 -11.748 1.00 4.58 C ATOM 0 H VAL B 53 -14.593 -6.455 -9.487 1.00 3.08 H new ATOM 0 HA VAL B 53 -13.302 -8.953 -9.201 1.00 3.27 H new ATOM 0 HB VAL B 53 -14.324 -7.969 -11.274 1.00 4.11 H new ATOM 0 HG11 VAL B 53 -12.970 -6.422 -12.637 1.00 4.23 H new ATOM 0 HG12 VAL B 53 -13.474 -5.693 -11.093 1.00 4.23 H new ATOM 0 HG13 VAL B 53 -11.806 -6.278 -11.299 1.00 4.23 H new ATOM 0 HG21 VAL B 53 -12.627 -8.839 -12.826 1.00 4.58 H new ATOM 0 HG22 VAL B 53 -11.436 -8.850 -11.503 1.00 4.58 H new ATOM 0 HG23 VAL B 53 -12.867 -9.905 -11.421 1.00 4.58 H new ATOM 1798 N CYS B 54 -10.769 -8.497 -9.269 1.00 2.56 N ATOM 1799 CA CYS B 54 -9.355 -8.345 -8.908 1.00 1.99 C ATOM 1800 C CYS B 54 -8.833 -6.928 -9.151 1.00 2.09 C ATOM 1801 O CYS B 54 -8.698 -6.521 -10.322 1.00 2.54 O ATOM 1802 CB CYS B 54 -8.516 -9.361 -9.688 1.00 2.24 C ATOM 1803 SG CYS B 54 -8.809 -9.350 -11.471 1.00 3.21 S ATOM 1804 OXT CYS B 54 -8.557 -6.223 -8.155 1.00 2.48 O ATOM 0 H CYS B 54 -10.985 -9.405 -9.680 1.00 2.56 H new ATOM 0 HA CYS B 54 -9.268 -8.532 -7.838 1.00 1.99 H new ATOM 0 HB2 CYS B 54 -7.460 -9.162 -9.503 1.00 2.24 H new ATOM 0 HB3 CYS B 54 -8.724 -10.359 -9.303 1.00 2.24 H new ATOM 0 HG CYS B 54 -8.892 -8.122 -11.890 1.00 3.21 H new TER 1810 CYS B 54