USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=24 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 Set 1.1: B 33 SER OG : rot -1:sc= 0.733 USER MOD Set 1.2: B 47 LYS NZ :NH3+ 167:sc= -0.696! (180deg=-2.11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.614 (180deg=-0.389!) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= -2.74! (180deg=-2.83!) USER MOD Single : A 3 SER OG : rot 65:sc= 1.7 USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= -0.0581 (180deg=-0.31) USER MOD Single : A 18 MET CE :methyl 159:sc= -1.99 (180deg=-3.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -5:sc= 0.477 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= 1.33 (180deg=1.14) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0.594 (180deg=0.499) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= -1.15! (180deg=-2.47!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0898 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.0408 (180deg=-0.293) USER MOD Single : A 51 HIS : no HE2:sc= -0.0279 K(o=-0.028,f=-3!) USER MOD Single : A 54 CYS SG : rot 40:sc= -0.993 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -172:sc= 0.802 (180deg=0.454) USER MOD Single : B 2 LYS NZ :NH3+ -145:sc=-0.00231 (180deg=-0.456) USER MOD Single : B 3 SER OG : rot 67:sc= 1.9 USER MOD Single : B 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0166) USER MOD Single : B 18 MET CE :methyl 148:sc= -0.311 (180deg=-1.77!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 2.47 (180deg=2.47) USER MOD Single : B 48 TYR OH : rot 180:sc= -0.341 USER MOD Single : B 49 LYS NZ :NH3+ 159:sc= -0.0828 (180deg=-0.509) USER MOD Single : B 51 HIS : no HE2:sc= 0.195 K(o=0.19,f=-0.82) USER MOD Single : B 54 CYS SG : rot -14:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.120 -11.045 -10.548 1.00 2.66 N ATOM 2 CA MET A 1 -7.211 -11.895 -9.750 1.00 2.32 C ATOM 3 C MET A 1 -6.084 -11.044 -9.187 1.00 1.80 C ATOM 4 O MET A 1 -5.462 -10.267 -9.912 1.00 2.36 O ATOM 5 CB MET A 1 -6.639 -13.032 -10.603 1.00 2.85 C ATOM 6 CG MET A 1 -7.704 -13.911 -11.238 1.00 3.24 C ATOM 7 SD MET A 1 -8.796 -14.671 -10.022 1.00 3.98 S ATOM 8 CE MET A 1 -10.014 -15.433 -11.094 1.00 4.57 C ATOM 0 H1 MET A 1 -9.011 -11.554 -10.719 1.00 2.66 H new ATOM 0 H2 MET A 1 -8.318 -10.166 -10.029 1.00 2.66 H new ATOM 0 H3 MET A 1 -7.672 -10.816 -11.458 1.00 2.66 H new ATOM 0 HA MET A 1 -7.775 -12.338 -8.930 1.00 2.32 H new ATOM 0 HB2 MET A 1 -6.015 -12.607 -11.389 1.00 2.85 H new ATOM 0 HB3 MET A 1 -5.992 -13.651 -9.982 1.00 2.85 H new ATOM 0 HG2 MET A 1 -8.298 -13.313 -11.930 1.00 3.24 H new ATOM 0 HG3 MET A 1 -7.221 -14.692 -11.825 1.00 3.24 H new ATOM 0 HE1 MET A 1 -10.762 -15.945 -10.489 1.00 4.57 H new ATOM 0 HE2 MET A 1 -10.499 -14.665 -11.697 1.00 4.57 H new ATOM 0 HE3 MET A 1 -9.523 -16.152 -11.749 1.00 4.57 H new ATOM 20 N LYS A 2 -5.828 -11.173 -7.895 1.00 1.18 N ATOM 21 CA LYS A 2 -4.780 -10.391 -7.263 1.00 0.75 C ATOM 22 C LYS A 2 -3.539 -11.238 -7.061 1.00 0.67 C ATOM 23 O LYS A 2 -3.578 -12.461 -7.185 1.00 1.02 O ATOM 24 CB LYS A 2 -5.236 -9.823 -5.920 1.00 0.88 C ATOM 25 CG LYS A 2 -6.377 -8.831 -6.038 1.00 0.85 C ATOM 26 CD LYS A 2 -5.922 -7.500 -6.604 1.00 1.06 C ATOM 27 CE LYS A 2 -5.592 -6.511 -5.500 1.00 1.13 C ATOM 28 NZ LYS A 2 -5.304 -5.157 -6.037 1.00 1.88 N ATOM 0 H LYS A 2 -6.327 -11.806 -7.269 1.00 1.18 H new ATOM 0 HA LYS A 2 -4.548 -9.557 -7.926 1.00 0.75 H new ATOM 0 HB2 LYS A 2 -5.545 -10.644 -5.273 1.00 0.88 H new ATOM 0 HB3 LYS A 2 -4.390 -9.336 -5.435 1.00 0.88 H new ATOM 0 HG2 LYS A 2 -7.155 -9.249 -6.677 1.00 0.85 H new ATOM 0 HG3 LYS A 2 -6.822 -8.673 -5.056 1.00 0.85 H new ATOM 0 HD2 LYS A 2 -5.045 -7.651 -7.233 1.00 1.06 H new ATOM 0 HD3 LYS A 2 -6.704 -7.088 -7.242 1.00 1.06 H new ATOM 0 HE2 LYS A 2 -6.427 -6.454 -4.802 1.00 1.13 H new ATOM 0 HE3 LYS A 2 -4.730 -6.869 -4.937 1.00 1.13 H new ATOM 0 HZ1 LYS A 2 -5.050 -4.520 -5.255 1.00 1.88 H new ATOM 0 HZ2 LYS A 2 -4.513 -5.211 -6.710 1.00 1.88 H new ATOM 0 HZ3 LYS A 2 -6.147 -4.790 -6.523 1.00 1.88 H new ATOM 42 N SER A 3 -2.446 -10.573 -6.744 1.00 0.47 N ATOM 43 CA SER A 3 -1.192 -11.245 -6.462 1.00 0.43 C ATOM 44 C SER A 3 -1.213 -11.798 -5.052 1.00 0.35 C ATOM 45 O SER A 3 -0.993 -12.986 -4.822 1.00 0.42 O ATOM 46 CB SER A 3 -0.041 -10.260 -6.601 1.00 0.48 C ATOM 47 OG SER A 3 -0.016 -9.681 -7.886 1.00 0.84 O ATOM 0 H SER A 3 -2.401 -9.556 -6.675 1.00 0.47 H new ATOM 0 HA SER A 3 -1.058 -12.063 -7.170 1.00 0.43 H new ATOM 0 HB2 SER A 3 -0.136 -9.477 -5.849 1.00 0.48 H new ATOM 0 HB3 SER A 3 0.903 -10.771 -6.411 1.00 0.48 H new ATOM 0 HG SER A 3 -0.822 -9.139 -8.017 1.00 0.84 H new ATOM 53 N ILE A 4 -1.495 -10.915 -4.112 1.00 0.31 N ATOM 54 CA ILE A 4 -1.515 -11.276 -2.713 1.00 0.29 C ATOM 55 C ILE A 4 -2.917 -11.721 -2.321 1.00 0.30 C ATOM 56 O ILE A 4 -3.094 -12.610 -1.492 1.00 0.36 O ATOM 57 CB ILE A 4 -1.084 -10.084 -1.837 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.086 -9.199 -2.600 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.473 -10.588 -0.538 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.311 -7.938 -1.862 1.00 0.27 C ATOM 0 H ILE A 4 -1.714 -9.936 -4.298 1.00 0.31 H new ATOM 0 HA ILE A 4 -0.813 -12.094 -2.554 1.00 0.29 H new ATOM 0 HB ILE A 4 -1.961 -9.483 -1.597 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.811 -9.781 -2.812 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.522 -8.923 -3.560 1.00 0.30 H new ATOM 0 HG21 ILE A 4 -0.171 -9.739 0.075 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -1.208 -11.183 0.003 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.399 -11.203 -0.761 1.00 0.32 H new ATOM 0 HD11 ILE A 4 1.017 -7.369 -2.467 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.575 -7.332 -1.673 1.00 0.27 H new ATOM 0 HD13 ILE A 4 0.778 -8.203 -0.913 1.00 0.27 H new ATOM 72 N GLY A 5 -3.908 -11.087 -2.944 1.00 0.32 N ATOM 73 CA GLY A 5 -5.296 -11.432 -2.697 1.00 0.35 C ATOM 74 C GLY A 5 -5.713 -11.137 -1.277 1.00 0.31 C ATOM 75 O GLY A 5 -6.540 -11.843 -0.701 1.00 0.42 O ATOM 0 H GLY A 5 -3.771 -10.335 -3.620 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -5.934 -10.877 -3.384 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.448 -12.491 -2.906 1.00 0.35 H new ATOM 79 N VAL A 6 -5.134 -10.094 -0.708 1.00 0.22 N ATOM 80 CA VAL A 6 -5.417 -9.736 0.670 1.00 0.21 C ATOM 81 C VAL A 6 -5.987 -8.329 0.769 1.00 0.20 C ATOM 82 O VAL A 6 -5.588 -7.423 0.034 1.00 0.24 O ATOM 83 CB VAL A 6 -4.165 -9.837 1.569 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.709 -11.278 1.715 1.00 0.27 C ATOM 85 CG2 VAL A 6 -3.042 -8.984 1.016 1.00 0.19 C ATOM 0 H VAL A 6 -4.467 -9.482 -1.178 1.00 0.22 H new ATOM 0 HA VAL A 6 -6.156 -10.454 1.024 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.434 -9.465 2.558 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.826 -11.317 2.353 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.508 -11.869 2.164 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.465 -11.684 0.733 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -2.169 -9.068 1.663 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.785 -9.326 0.013 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.363 -7.943 0.973 1.00 0.19 H new ATOM 95 N VAL A 7 -6.899 -8.173 1.715 1.00 0.17 N ATOM 96 CA VAL A 7 -7.554 -6.903 1.970 1.00 0.16 C ATOM 97 C VAL A 7 -7.377 -6.532 3.434 1.00 0.19 C ATOM 98 O VAL A 7 -7.413 -7.394 4.313 1.00 0.29 O ATOM 99 CB VAL A 7 -9.061 -6.934 1.599 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.779 -8.073 2.310 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.726 -5.599 1.918 1.00 0.16 C ATOM 0 H VAL A 7 -7.206 -8.927 2.329 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.087 -6.150 1.336 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.135 -7.107 0.525 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.833 -8.070 2.031 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.330 -9.023 2.021 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.689 -7.943 3.388 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.781 -5.645 1.649 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.631 -5.391 2.984 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.241 -4.806 1.349 1.00 0.16 H new ATOM 111 N ARG A 8 -7.160 -5.257 3.690 1.00 0.15 N ATOM 112 CA ARG A 8 -6.883 -4.782 5.026 1.00 0.16 C ATOM 113 C ARG A 8 -7.913 -3.760 5.436 1.00 0.15 C ATOM 114 O ARG A 8 -8.585 -3.170 4.587 1.00 0.16 O ATOM 115 CB ARG A 8 -5.485 -4.159 5.107 1.00 0.16 C ATOM 116 CG ARG A 8 -4.416 -5.101 5.636 1.00 0.25 C ATOM 117 CD ARG A 8 -4.385 -6.419 4.879 1.00 0.34 C ATOM 118 NE ARG A 8 -3.259 -7.261 5.286 1.00 0.81 N ATOM 119 CZ ARG A 8 -3.327 -8.585 5.438 1.00 0.85 C ATOM 120 NH1 ARG A 8 -4.463 -9.232 5.196 1.00 0.79 N ATOM 121 NH2 ARG A 8 -2.252 -9.262 5.825 1.00 1.43 N ATOM 0 H ARG A 8 -7.171 -4.526 2.979 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.925 -5.635 5.703 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.193 -3.817 4.114 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.528 -3.278 5.748 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.441 -4.619 5.563 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.597 -5.296 6.693 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.318 -6.956 5.048 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.321 -6.221 3.809 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.364 -6.806 5.465 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -5.289 -8.716 4.892 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -4.509 -10.244 5.314 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -1.377 -8.770 6.005 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -2.301 -10.274 5.942 1.00 1.43 H new ATOM 135 N LYS A 9 -8.069 -3.593 6.730 1.00 0.17 N ATOM 136 CA LYS A 9 -8.892 -2.534 7.258 1.00 0.18 C ATOM 137 C LYS A 9 -8.013 -1.524 7.981 1.00 0.20 C ATOM 138 O LYS A 9 -7.166 -1.891 8.798 1.00 0.24 O ATOM 139 CB LYS A 9 -9.960 -3.104 8.189 1.00 0.20 C ATOM 140 CG LYS A 9 -10.759 -4.247 7.575 1.00 0.21 C ATOM 141 CD LYS A 9 -11.435 -3.839 6.274 1.00 0.23 C ATOM 142 CE LYS A 9 -12.275 -4.969 5.702 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.361 -5.391 6.629 1.00 1.22 N ATOM 0 H LYS A 9 -7.632 -4.183 7.439 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.404 -2.028 6.439 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.482 -3.456 9.103 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.645 -2.305 8.474 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.097 -5.093 7.389 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.514 -4.583 8.285 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -12.066 -2.968 6.449 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.678 -3.543 5.547 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.712 -4.651 4.755 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -11.633 -5.823 5.486 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -14.035 -5.999 6.121 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -12.952 -5.919 7.426 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -13.856 -4.550 6.989 1.00 1.22 H new ATOM 157 N VAL A 10 -8.202 -0.263 7.637 1.00 0.19 N ATOM 158 CA VAL A 10 -7.411 0.831 8.185 1.00 0.19 C ATOM 159 C VAL A 10 -7.520 0.907 9.709 1.00 0.20 C ATOM 160 O VAL A 10 -8.566 0.609 10.283 1.00 0.22 O ATOM 161 CB VAL A 10 -7.860 2.175 7.561 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.196 3.358 8.244 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.567 2.194 6.070 1.00 0.24 C ATOM 0 H VAL A 10 -8.911 0.035 6.967 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.368 0.638 7.935 1.00 0.19 H new ATOM 0 HB VAL A 10 -8.936 2.265 7.711 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.535 4.284 7.779 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -7.462 3.364 9.301 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.114 3.276 8.142 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.889 3.146 5.648 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.496 2.069 5.908 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -8.105 1.381 5.583 1.00 0.24 H new ATOM 173 N ASP A 11 -6.411 1.270 10.351 1.00 0.21 N ATOM 174 CA ASP A 11 -6.388 1.556 11.782 1.00 0.24 C ATOM 175 C ASP A 11 -7.403 2.652 12.114 1.00 0.25 C ATOM 176 O ASP A 11 -8.479 2.375 12.639 1.00 0.33 O ATOM 177 CB ASP A 11 -4.965 1.989 12.177 1.00 0.30 C ATOM 178 CG ASP A 11 -4.865 2.610 13.558 1.00 1.07 C ATOM 179 OD1 ASP A 11 -4.730 1.863 14.547 1.00 1.75 O ATOM 180 OD2 ASP A 11 -4.876 3.855 13.649 1.00 1.88 O ATOM 0 H ASP A 11 -5.505 1.374 9.894 1.00 0.21 H new ATOM 0 HA ASP A 11 -6.661 0.664 12.346 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.308 1.121 12.133 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -4.598 2.705 11.442 1.00 0.30 H new ATOM 185 N GLU A 12 -7.038 3.883 11.783 1.00 0.26 N ATOM 186 CA GLU A 12 -7.900 5.058 11.915 1.00 0.27 C ATOM 187 C GLU A 12 -7.350 6.142 11.021 1.00 0.26 C ATOM 188 O GLU A 12 -8.053 6.734 10.213 1.00 0.30 O ATOM 189 CB GLU A 12 -7.921 5.608 13.344 1.00 0.33 C ATOM 190 CG GLU A 12 -8.650 4.749 14.350 1.00 0.47 C ATOM 191 CD GLU A 12 -8.799 5.446 15.680 1.00 0.91 C ATOM 192 OE1 GLU A 12 -9.415 6.532 15.720 1.00 1.69 O ATOM 193 OE2 GLU A 12 -8.282 4.927 16.689 1.00 1.42 O ATOM 0 H GLU A 12 -6.115 4.101 11.407 1.00 0.26 H new ATOM 0 HA GLU A 12 -8.914 4.762 11.645 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -6.893 5.742 13.681 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -8.383 6.595 13.330 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -9.636 4.492 13.962 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.108 3.813 14.489 1.00 0.47 H new ATOM 200 N LEU A 13 -6.063 6.388 11.212 1.00 0.24 N ATOM 201 CA LEU A 13 -5.309 7.356 10.433 1.00 0.26 C ATOM 202 C LEU A 13 -5.316 6.964 8.963 1.00 0.26 C ATOM 203 O LEU A 13 -5.676 7.746 8.081 1.00 0.55 O ATOM 204 CB LEU A 13 -3.864 7.365 10.928 1.00 0.40 C ATOM 205 CG LEU A 13 -3.679 7.516 12.437 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.226 7.266 12.803 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.118 8.895 12.899 1.00 0.55 C ATOM 0 H LEU A 13 -5.506 5.914 11.923 1.00 0.24 H new ATOM 0 HA LEU A 13 -5.762 8.341 10.547 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.386 6.437 10.613 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.335 8.179 10.433 1.00 0.40 H new ATOM 0 HG LEU A 13 -4.303 6.780 12.943 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.098 7.375 13.880 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -1.944 6.256 12.504 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -1.592 7.987 12.288 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -3.977 8.980 13.977 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -3.521 9.655 12.394 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.171 9.041 12.658 1.00 0.55 H new ATOM 219 N GLY A 14 -4.950 5.721 8.735 1.00 0.21 N ATOM 220 CA GLY A 14 -4.748 5.216 7.397 1.00 0.16 C ATOM 221 C GLY A 14 -3.766 4.066 7.408 1.00 0.12 C ATOM 222 O GLY A 14 -3.425 3.511 6.370 1.00 0.11 O ATOM 0 H GLY A 14 -4.785 5.035 9.471 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.699 4.886 6.979 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.376 6.013 6.753 1.00 0.16 H new ATOM 226 N ARG A 15 -3.319 3.697 8.603 1.00 0.12 N ATOM 227 CA ARG A 15 -2.319 2.654 8.753 1.00 0.13 C ATOM 228 C ARG A 15 -2.941 1.289 8.503 1.00 0.11 C ATOM 229 O ARG A 15 -3.965 0.954 9.096 1.00 0.13 O ATOM 230 CB ARG A 15 -1.713 2.668 10.163 1.00 0.17 C ATOM 231 CG ARG A 15 -1.327 4.048 10.673 1.00 0.21 C ATOM 232 CD ARG A 15 -0.603 3.960 12.010 1.00 0.28 C ATOM 233 NE ARG A 15 0.681 3.261 11.904 1.00 1.31 N ATOM 234 CZ ARG A 15 1.232 2.545 12.889 1.00 1.71 C ATOM 235 NH1 ARG A 15 0.591 2.379 14.042 1.00 1.58 N ATOM 236 NH2 ARG A 15 2.422 1.985 12.717 1.00 2.72 N ATOM 0 H ARG A 15 -3.636 4.107 9.482 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.532 2.845 8.024 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.429 2.226 10.856 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -0.828 2.032 10.170 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -0.687 4.543 9.942 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.221 4.662 10.781 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.436 4.965 12.397 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -1.237 3.443 12.730 1.00 0.28 H new ATOM 0 HE ARG A 15 1.187 3.325 11.021 1.00 1.31 H new ATOM 0 HH11 ARG A 15 -0.328 2.799 14.180 1.00 1.58 H new ATOM 0 HH12 ARG A 15 1.018 1.831 14.789 1.00 1.58 H new ATOM 0 HH21 ARG A 15 2.917 2.101 11.833 1.00 2.72 H new ATOM 0 HH22 ARG A 15 2.842 1.439 13.469 1.00 2.72 H new ATOM 250 N ILE A 16 -2.328 0.513 7.626 1.00 0.10 N ATOM 251 CA ILE A 16 -2.773 -0.849 7.370 1.00 0.10 C ATOM 252 C ILE A 16 -1.558 -1.769 7.400 1.00 0.09 C ATOM 253 O ILE A 16 -0.436 -1.306 7.613 1.00 0.10 O ATOM 254 CB ILE A 16 -3.527 -0.989 6.018 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.551 -1.199 4.859 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.396 0.233 5.760 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.212 -1.204 3.497 1.00 0.16 C ATOM 0 H ILE A 16 -1.518 0.802 7.077 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.485 -1.128 8.147 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.169 -1.868 6.085 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.797 -0.412 4.884 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.029 -2.145 5.003 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -4.915 0.116 4.809 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.127 0.336 6.562 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.769 1.124 5.724 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.457 -1.358 2.726 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.946 -2.009 3.452 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.710 -0.249 3.331 1.00 0.16 H new ATOM 269 N VAL A 17 -1.758 -3.054 7.176 1.00 0.09 N ATOM 270 CA VAL A 17 -0.662 -4.001 7.280 1.00 0.10 C ATOM 271 C VAL A 17 -0.322 -4.606 5.925 1.00 0.11 C ATOM 272 O VAL A 17 -1.091 -5.391 5.360 1.00 0.16 O ATOM 273 CB VAL A 17 -0.944 -5.112 8.326 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.300 -5.757 8.115 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.153 -6.167 8.306 1.00 0.16 C ATOM 0 H VAL A 17 -2.658 -3.463 6.924 1.00 0.09 H new ATOM 0 HA VAL A 17 0.205 -3.440 7.630 1.00 0.10 H new ATOM 0 HB VAL A 17 -0.954 -4.635 9.306 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.457 -6.529 8.868 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -3.080 -5.001 8.202 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.339 -6.206 7.122 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.067 -6.935 9.048 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.203 -6.622 7.317 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.110 -5.701 8.539 1.00 0.16 H new ATOM 285 N MET A 18 0.825 -4.210 5.396 1.00 0.09 N ATOM 286 CA MET A 18 1.342 -4.797 4.163 1.00 0.09 C ATOM 287 C MET A 18 1.936 -6.158 4.511 1.00 0.09 C ATOM 288 O MET A 18 2.324 -6.380 5.659 1.00 0.15 O ATOM 289 CB MET A 18 2.415 -3.905 3.531 1.00 0.12 C ATOM 290 CG MET A 18 2.007 -2.448 3.339 1.00 0.17 C ATOM 291 SD MET A 18 1.380 -2.095 1.684 1.00 0.84 S ATOM 292 CE MET A 18 -0.270 -2.769 1.761 1.00 0.61 C ATOM 0 H MET A 18 1.418 -3.485 5.799 1.00 0.09 H new ATOM 0 HA MET A 18 0.534 -4.898 3.438 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.308 -3.938 4.155 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.688 -4.321 2.561 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.242 -2.192 4.072 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.866 -1.808 3.539 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.886 -2.313 0.986 1.00 0.61 H new ATOM 0 HE2 MET A 18 -0.230 -3.847 1.605 1.00 0.61 H new ATOM 0 HE3 MET A 18 -0.703 -2.560 2.739 1.00 0.61 H new ATOM 302 N PRO A 19 2.006 -7.100 3.565 1.00 0.09 N ATOM 303 CA PRO A 19 2.435 -8.445 3.864 1.00 0.11 C ATOM 304 C PRO A 19 3.926 -8.686 3.633 1.00 0.12 C ATOM 305 O PRO A 19 4.647 -7.860 3.041 1.00 0.12 O ATOM 306 CB PRO A 19 1.600 -9.278 2.893 1.00 0.13 C ATOM 307 CG PRO A 19 1.313 -8.379 1.728 1.00 0.14 C ATOM 308 CD PRO A 19 1.680 -6.960 2.145 1.00 0.12 C ATOM 0 HA PRO A 19 2.295 -8.688 4.917 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.142 -10.169 2.576 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.677 -9.617 3.362 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.891 -8.684 0.856 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.261 -8.437 1.449 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.526 -6.579 1.574 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.852 -6.268 1.989 1.00 0.12 H new ATOM 316 N ILE A 20 4.387 -9.830 4.117 1.00 0.16 N ATOM 317 CA ILE A 20 5.724 -10.314 3.832 1.00 0.18 C ATOM 318 C ILE A 20 6.004 -10.269 2.334 1.00 0.17 C ATOM 319 O ILE A 20 7.119 -9.989 1.917 1.00 0.18 O ATOM 320 CB ILE A 20 5.890 -11.761 4.350 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.246 -12.347 3.949 1.00 0.29 C ATOM 322 CG2 ILE A 20 4.751 -12.639 3.849 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.426 -11.650 4.583 1.00 0.32 C ATOM 0 H ILE A 20 3.842 -10.447 4.719 1.00 0.16 H new ATOM 0 HA ILE A 20 6.437 -9.666 4.342 1.00 0.18 H new ATOM 0 HB ILE A 20 5.854 -11.734 5.439 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.270 -13.402 4.222 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.346 -12.296 2.865 1.00 0.29 H new ATOM 0 HG21 ILE A 20 4.883 -13.654 4.223 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.801 -12.241 4.206 1.00 0.26 H new ATOM 0 HG23 ILE A 20 4.753 -12.650 2.759 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.350 -12.123 4.250 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.429 -10.600 4.289 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.352 -11.723 5.668 1.00 0.32 H new ATOM 335 N GLU A 21 4.968 -10.519 1.542 1.00 0.17 N ATOM 336 CA GLU A 21 5.048 -10.471 0.085 1.00 0.18 C ATOM 337 C GLU A 21 5.595 -9.142 -0.376 1.00 0.16 C ATOM 338 O GLU A 21 6.383 -9.075 -1.311 1.00 0.18 O ATOM 339 CB GLU A 21 3.665 -10.638 -0.498 1.00 0.21 C ATOM 340 CG GLU A 21 2.746 -11.421 0.413 1.00 0.20 C ATOM 341 CD GLU A 21 2.852 -12.912 0.204 1.00 0.35 C ATOM 342 OE1 GLU A 21 3.810 -13.516 0.727 1.00 1.27 O ATOM 343 OE2 GLU A 21 1.975 -13.489 -0.466 1.00 0.96 O ATOM 0 H GLU A 21 4.042 -10.762 1.894 1.00 0.17 H new ATOM 0 HA GLU A 21 5.709 -11.272 -0.248 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.233 -9.656 -0.688 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.738 -11.146 -1.460 1.00 0.21 H new ATOM 0 HG2 GLU A 21 2.983 -11.186 1.451 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.717 -11.106 0.242 1.00 0.20 H new ATOM 350 N LEU A 22 5.175 -8.087 0.306 1.00 0.14 N ATOM 351 CA LEU A 22 5.594 -6.746 -0.032 1.00 0.15 C ATOM 352 C LEU A 22 7.060 -6.585 0.295 1.00 0.15 C ATOM 353 O LEU A 22 7.829 -6.037 -0.489 1.00 0.16 O ATOM 354 CB LEU A 22 4.757 -5.710 0.731 1.00 0.18 C ATOM 355 CG LEU A 22 5.512 -4.452 1.174 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.701 -3.203 0.875 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.837 -4.531 2.664 1.00 0.32 C ATOM 0 H LEU A 22 4.539 -8.141 1.102 1.00 0.14 H new ATOM 0 HA LEU A 22 5.442 -6.581 -1.099 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.921 -5.408 0.100 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.334 -6.189 1.614 1.00 0.18 H new ATOM 0 HG LEU A 22 6.445 -4.394 0.613 1.00 0.23 H new ATOM 0 HD11 LEU A 22 5.257 -2.323 1.198 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.512 -3.140 -0.197 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.752 -3.249 1.409 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.373 -3.632 2.968 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.912 -4.612 3.234 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.458 -5.406 2.855 1.00 0.32 H new ATOM 369 N ARG A 23 7.444 -7.084 1.460 1.00 0.17 N ATOM 370 CA ARG A 23 8.833 -7.009 1.886 1.00 0.20 C ATOM 371 C ARG A 23 9.731 -7.779 0.924 1.00 0.21 C ATOM 372 O ARG A 23 10.774 -7.283 0.508 1.00 0.23 O ATOM 373 CB ARG A 23 8.991 -7.564 3.307 1.00 0.26 C ATOM 374 CG ARG A 23 8.016 -6.966 4.309 1.00 0.35 C ATOM 375 CD ARG A 23 8.446 -7.219 5.754 1.00 0.43 C ATOM 376 NE ARG A 23 8.745 -8.617 6.049 1.00 0.58 N ATOM 377 CZ ARG A 23 8.629 -9.147 7.268 1.00 0.42 C ATOM 378 NH1 ARG A 23 8.122 -8.425 8.261 1.00 0.82 N ATOM 379 NH2 ARG A 23 9.019 -10.394 7.499 1.00 0.82 N ATOM 0 H ARG A 23 6.819 -7.542 2.123 1.00 0.17 H new ATOM 0 HA ARG A 23 9.133 -5.961 1.883 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.855 -8.645 3.282 1.00 0.26 H new ATOM 0 HB3 ARG A 23 10.009 -7.378 3.649 1.00 0.26 H new ATOM 0 HG2 ARG A 23 7.935 -5.892 4.138 1.00 0.35 H new ATOM 0 HG3 ARG A 23 7.025 -7.390 4.147 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.328 -6.616 5.971 1.00 0.43 H new ATOM 0 HD3 ARG A 23 7.655 -6.879 6.422 1.00 0.43 H new ATOM 0 HE ARG A 23 9.058 -9.218 5.286 1.00 0.58 H new ATOM 0 HH11 ARG A 23 7.821 -7.465 8.092 1.00 0.82 H new ATOM 0 HH12 ARG A 23 8.033 -8.830 9.193 1.00 0.82 H new ATOM 0 HH21 ARG A 23 9.411 -10.954 6.742 1.00 0.82 H new ATOM 0 HH22 ARG A 23 8.927 -10.792 8.434 1.00 0.82 H new ATOM 393 N ARG A 24 9.307 -8.992 0.609 1.00 0.21 N ATOM 394 CA ARG A 24 10.009 -9.868 -0.325 1.00 0.24 C ATOM 395 C ARG A 24 10.116 -9.246 -1.707 1.00 0.23 C ATOM 396 O ARG A 24 11.203 -9.180 -2.278 1.00 0.25 O ATOM 397 CB ARG A 24 9.270 -11.196 -0.434 1.00 0.25 C ATOM 398 CG ARG A 24 9.148 -11.931 0.885 1.00 0.29 C ATOM 399 CD ARG A 24 8.120 -13.052 0.801 1.00 0.33 C ATOM 400 NE ARG A 24 8.347 -13.938 -0.340 1.00 0.45 N ATOM 401 CZ ARG A 24 7.371 -14.577 -0.995 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.103 -14.444 -0.615 1.00 0.87 N ATOM 403 NH2 ARG A 24 7.663 -15.360 -2.024 1.00 0.86 N ATOM 0 H ARG A 24 8.458 -9.404 0.996 1.00 0.21 H new ATOM 0 HA ARG A 24 11.017 -10.023 0.060 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.272 -11.015 -0.834 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.789 -11.834 -1.149 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.117 -12.344 1.165 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.862 -11.230 1.669 1.00 0.29 H new ATOM 0 HD2 ARG A 24 8.148 -13.636 1.721 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.122 -12.620 0.728 1.00 0.33 H new ATOM 0 HE ARG A 24 9.307 -14.077 -0.655 1.00 0.45 H new ATOM 0 HH11 ARG A 24 5.869 -13.851 0.181 1.00 0.87 H new ATOM 0 HH12 ARG A 24 5.365 -14.935 -1.120 1.00 0.87 H new ATOM 0 HH21 ARG A 24 8.633 -15.476 -2.317 1.00 0.86 H new ATOM 0 HH22 ARG A 24 6.918 -15.846 -2.522 1.00 0.86 H new ATOM 417 N ALA A 25 8.973 -8.823 -2.248 1.00 0.21 N ATOM 418 CA ALA A 25 8.927 -8.167 -3.548 1.00 0.23 C ATOM 419 C ALA A 25 9.889 -6.993 -3.598 1.00 0.24 C ATOM 420 O ALA A 25 10.597 -6.781 -4.585 1.00 0.27 O ATOM 421 CB ALA A 25 7.519 -7.684 -3.848 1.00 0.23 C ATOM 0 H ALA A 25 8.063 -8.926 -1.800 1.00 0.21 H new ATOM 0 HA ALA A 25 9.225 -8.896 -4.301 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.502 -7.196 -4.823 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.837 -8.534 -3.855 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.207 -6.975 -3.082 1.00 0.23 H new ATOM 427 N LEU A 26 9.912 -6.246 -2.514 1.00 0.24 N ATOM 428 CA LEU A 26 10.715 -5.051 -2.430 1.00 0.27 C ATOM 429 C LEU A 26 12.087 -5.342 -1.833 1.00 0.29 C ATOM 430 O LEU A 26 12.994 -5.777 -2.544 1.00 0.37 O ATOM 431 CB LEU A 26 9.964 -4.002 -1.612 1.00 0.24 C ATOM 432 CG LEU A 26 8.654 -3.522 -2.248 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.948 -2.523 -1.347 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.926 -2.905 -3.608 1.00 0.32 C ATOM 0 H LEU A 26 9.376 -6.452 -1.671 1.00 0.24 H new ATOM 0 HA LEU A 26 10.887 -4.666 -3.435 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.746 -4.415 -0.627 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.616 -3.142 -1.460 1.00 0.24 H new ATOM 0 HG LEU A 26 8.000 -4.385 -2.377 1.00 0.25 H new ATOM 0 HD11 LEU A 26 7.022 -2.198 -1.820 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.721 -2.993 -0.390 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.594 -1.661 -1.183 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.988 -2.568 -4.049 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.599 -2.055 -3.494 1.00 0.32 H new ATOM 0 HD23 LEU A 26 9.387 -3.648 -4.259 1.00 0.32 H new ATOM 446 N ASP A 27 12.223 -5.140 -0.531 1.00 0.27 N ATOM 447 CA ASP A 27 13.513 -5.277 0.142 1.00 0.33 C ATOM 448 C ASP A 27 13.343 -5.029 1.636 1.00 0.37 C ATOM 449 O ASP A 27 14.311 -4.801 2.354 1.00 0.59 O ATOM 450 CB ASP A 27 14.519 -4.277 -0.454 1.00 0.40 C ATOM 451 CG ASP A 27 15.953 -4.525 -0.021 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.498 -5.601 -0.339 1.00 1.37 O ATOM 453 OD2 ASP A 27 16.555 -3.622 0.605 1.00 1.10 O ATOM 0 H ASP A 27 11.454 -4.879 0.086 1.00 0.27 H new ATOM 0 HA ASP A 27 13.893 -6.288 -0.006 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.464 -4.324 -1.542 1.00 0.40 H new ATOM 0 HB3 ASP A 27 14.230 -3.267 -0.163 1.00 0.40 H new ATOM 458 N ILE A 28 12.102 -5.115 2.111 1.00 0.28 N ATOM 459 CA ILE A 28 11.791 -4.713 3.479 1.00 0.29 C ATOM 460 C ILE A 28 12.312 -5.737 4.478 1.00 0.28 C ATOM 461 O ILE A 28 12.084 -6.940 4.328 1.00 0.29 O ATOM 462 CB ILE A 28 10.274 -4.494 3.726 1.00 0.31 C ATOM 463 CG1 ILE A 28 9.747 -3.242 3.018 1.00 0.33 C ATOM 464 CG2 ILE A 28 9.989 -4.386 5.213 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.661 -3.366 1.523 1.00 0.37 C ATOM 0 H ILE A 28 11.304 -5.456 1.575 1.00 0.28 H new ATOM 0 HA ILE A 28 12.291 -3.756 3.624 1.00 0.29 H new ATOM 0 HB ILE A 28 9.758 -5.360 3.311 1.00 0.31 H new ATOM 0 HG12 ILE A 28 8.757 -3.008 3.409 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.394 -2.400 3.264 1.00 0.33 H new ATOM 0 HG21 ILE A 28 8.921 -4.233 5.369 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.300 -5.304 5.711 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.541 -3.543 5.629 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.279 -2.436 1.102 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.652 -3.568 1.117 1.00 0.37 H new ATOM 0 HD13 ILE A 28 8.989 -4.184 1.264 1.00 0.37 H new ATOM 477 N ALA A 29 13.009 -5.253 5.498 1.00 0.31 N ATOM 478 CA ALA A 29 13.497 -6.124 6.553 1.00 0.33 C ATOM 479 C ALA A 29 12.633 -5.978 7.795 1.00 0.34 C ATOM 480 O ALA A 29 12.134 -6.963 8.338 1.00 0.43 O ATOM 481 CB ALA A 29 14.957 -5.838 6.868 1.00 0.34 C ATOM 0 H ALA A 29 13.247 -4.268 5.615 1.00 0.31 H new ATOM 0 HA ALA A 29 13.432 -7.155 6.205 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.295 -6.505 7.661 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.561 -6.001 5.975 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.063 -4.803 7.194 1.00 0.34 H new ATOM 487 N ILE A 30 12.433 -4.742 8.222 1.00 0.29 N ATOM 488 CA ILE A 30 11.612 -4.475 9.391 1.00 0.32 C ATOM 489 C ILE A 30 10.917 -3.123 9.255 1.00 0.34 C ATOM 490 O ILE A 30 9.780 -2.964 9.678 1.00 0.44 O ATOM 491 CB ILE A 30 12.454 -4.555 10.693 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.559 -4.577 11.948 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.472 -3.417 10.763 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.183 -3.214 12.490 1.00 0.39 C ATOM 0 H ILE A 30 12.826 -3.911 7.779 1.00 0.29 H new ATOM 0 HA ILE A 30 10.842 -5.244 9.456 1.00 0.32 H new ATOM 0 HB ILE A 30 13.004 -5.496 10.667 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.645 -5.123 11.715 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.072 -5.134 12.732 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.047 -3.499 11.685 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.146 -3.479 9.909 1.00 0.31 H new ATOM 0 HG23 ILE A 30 12.950 -2.460 10.745 1.00 0.31 H new ATOM 0 HD11 ILE A 30 10.553 -3.334 13.372 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.087 -2.668 12.761 1.00 0.39 H new ATOM 0 HD13 ILE A 30 10.638 -2.657 11.728 1.00 0.39 H new ATOM 506 N LYS A 31 11.597 -2.158 8.641 1.00 0.32 N ATOM 507 CA LYS A 31 11.011 -0.840 8.416 1.00 0.37 C ATOM 508 C LYS A 31 11.230 -0.408 6.971 1.00 0.37 C ATOM 509 O LYS A 31 10.326 0.113 6.319 1.00 0.57 O ATOM 510 CB LYS A 31 11.609 0.193 9.379 1.00 0.39 C ATOM 511 CG LYS A 31 11.503 -0.209 10.843 1.00 0.39 C ATOM 512 CD LYS A 31 11.433 0.996 11.766 1.00 0.45 C ATOM 513 CE LYS A 31 10.093 1.707 11.643 1.00 0.46 C ATOM 514 NZ LYS A 31 9.953 2.809 12.627 1.00 0.65 N ATOM 0 H LYS A 31 12.550 -2.263 8.292 1.00 0.32 H new ATOM 0 HA LYS A 31 9.940 -0.902 8.606 1.00 0.37 H new ATOM 0 HB2 LYS A 31 12.658 0.347 9.128 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.103 1.148 9.235 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.615 -0.825 10.985 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.363 -0.822 11.113 1.00 0.39 H new ATOM 0 HD2 LYS A 31 11.585 0.677 12.797 1.00 0.45 H new ATOM 0 HD3 LYS A 31 12.239 1.689 11.525 1.00 0.45 H new ATOM 0 HE2 LYS A 31 9.986 2.106 10.634 1.00 0.46 H new ATOM 0 HE3 LYS A 31 9.287 0.988 11.788 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 9.026 3.265 12.508 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 10.029 2.426 13.591 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 10.706 3.510 12.473 1.00 0.65 H new ATOM 528 N ASP A 32 12.438 -0.660 6.488 1.00 0.24 N ATOM 529 CA ASP A 32 12.833 -0.395 5.105 1.00 0.25 C ATOM 530 C ASP A 32 12.449 1.013 4.610 1.00 0.35 C ATOM 531 O ASP A 32 12.976 1.992 5.128 1.00 0.84 O ATOM 532 CB ASP A 32 12.271 -1.476 4.201 1.00 0.31 C ATOM 533 CG ASP A 32 13.188 -1.753 3.042 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.415 -1.853 3.270 1.00 1.80 O ATOM 535 OD2 ASP A 32 12.700 -1.869 1.908 1.00 1.91 O ATOM 0 H ASP A 32 13.187 -1.061 7.053 1.00 0.24 H new ATOM 0 HA ASP A 32 13.922 -0.419 5.070 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.121 -2.391 4.775 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.294 -1.169 3.828 1.00 0.31 H new ATOM 540 N SER A 33 11.502 1.112 3.651 1.00 0.25 N ATOM 541 CA SER A 33 11.141 2.379 2.963 1.00 0.19 C ATOM 542 C SER A 33 10.105 2.091 1.877 1.00 0.19 C ATOM 543 O SER A 33 10.418 1.410 0.900 1.00 0.28 O ATOM 544 CB SER A 33 12.327 3.062 2.250 1.00 0.24 C ATOM 545 OG SER A 33 13.381 3.419 3.127 1.00 0.27 O ATOM 0 H SER A 33 10.960 0.310 3.328 1.00 0.25 H new ATOM 0 HA SER A 33 10.772 3.040 3.747 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.714 2.392 1.482 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.969 3.957 1.741 1.00 0.24 H new ATOM 0 HG SER A 33 13.118 3.225 4.051 1.00 0.27 H new ATOM 551 N ILE A 34 8.887 2.605 2.021 1.00 0.16 N ATOM 552 CA ILE A 34 7.867 2.391 0.995 1.00 0.18 C ATOM 553 C ILE A 34 7.194 3.710 0.618 1.00 0.15 C ATOM 554 O ILE A 34 6.604 4.368 1.463 1.00 0.16 O ATOM 555 CB ILE A 34 6.778 1.384 1.439 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.386 0.073 1.961 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.849 1.089 0.279 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.762 0.111 3.428 1.00 0.58 C ATOM 0 H ILE A 34 8.584 3.162 2.820 1.00 0.16 H new ATOM 0 HA ILE A 34 8.386 1.973 0.132 1.00 0.18 H new ATOM 0 HB ILE A 34 6.220 1.840 2.257 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.673 -0.736 1.800 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.274 -0.163 1.375 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.084 0.380 0.596 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.373 2.013 -0.050 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.420 0.662 -0.545 1.00 0.76 H new ATOM 0 HD11 ILE A 34 8.184 -0.851 3.720 1.00 0.58 H new ATOM 0 HD12 ILE A 34 8.499 0.896 3.594 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.874 0.314 4.026 1.00 0.58 H new ATOM 570 N GLU A 35 7.270 4.075 -0.654 1.00 0.13 N ATOM 571 CA GLU A 35 6.724 5.347 -1.125 1.00 0.13 C ATOM 572 C GLU A 35 5.570 5.085 -2.091 1.00 0.13 C ATOM 573 O GLU A 35 5.675 4.225 -2.971 1.00 0.17 O ATOM 574 CB GLU A 35 7.822 6.190 -1.788 1.00 0.16 C ATOM 575 CG GLU A 35 7.337 7.542 -2.294 1.00 0.23 C ATOM 576 CD GLU A 35 8.466 8.441 -2.760 1.00 0.38 C ATOM 577 OE1 GLU A 35 8.893 8.306 -3.923 1.00 1.21 O ATOM 578 OE2 GLU A 35 8.921 9.288 -1.967 1.00 1.13 O ATOM 0 H GLU A 35 7.705 3.509 -1.383 1.00 0.13 H new ATOM 0 HA GLU A 35 6.342 5.911 -0.274 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.628 6.348 -1.072 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.243 5.630 -2.623 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.640 7.387 -3.118 1.00 0.23 H new ATOM 0 HG3 GLU A 35 6.785 8.044 -1.500 1.00 0.23 H new ATOM 585 N PHE A 36 4.467 5.819 -1.927 1.00 0.13 N ATOM 586 CA PHE A 36 3.236 5.490 -2.649 1.00 0.12 C ATOM 587 C PHE A 36 2.832 6.538 -3.691 1.00 0.14 C ATOM 588 O PHE A 36 3.206 7.713 -3.630 1.00 0.16 O ATOM 589 CB PHE A 36 2.057 5.258 -1.691 1.00 0.15 C ATOM 590 CG PHE A 36 2.452 5.077 -0.260 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.179 3.969 0.136 1.00 1.11 C ATOM 592 CD2 PHE A 36 2.084 6.011 0.691 1.00 1.24 C ATOM 593 CE1 PHE A 36 3.533 3.796 1.452 1.00 1.06 C ATOM 594 CE2 PHE A 36 2.436 5.842 2.011 1.00 1.33 C ATOM 595 CZ PHE A 36 3.162 4.732 2.392 1.00 0.36 C ATOM 0 H PHE A 36 4.400 6.630 -1.313 1.00 0.13 H new ATOM 0 HA PHE A 36 3.468 4.567 -3.180 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.374 6.104 -1.763 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.507 4.376 -2.018 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.471 3.232 -0.597 1.00 1.11 H new ATOM 0 HD2 PHE A 36 1.516 6.880 0.396 1.00 1.24 H new ATOM 0 HE1 PHE A 36 4.101 2.927 1.749 1.00 1.06 H new ATOM 0 HE2 PHE A 36 2.145 6.577 2.747 1.00 1.33 H new ATOM 0 HZ PHE A 36 3.439 4.597 3.427 1.00 0.36 H new ATOM 605 N PHE A 37 2.060 6.051 -4.649 1.00 0.15 N ATOM 606 CA PHE A 37 1.494 6.828 -5.742 1.00 0.17 C ATOM 607 C PHE A 37 0.015 6.497 -5.806 1.00 0.13 C ATOM 608 O PHE A 37 -0.397 5.464 -5.300 1.00 0.11 O ATOM 609 CB PHE A 37 2.212 6.415 -7.042 1.00 0.20 C ATOM 610 CG PHE A 37 1.891 7.226 -8.272 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.776 6.941 -9.046 1.00 1.13 C ATOM 612 CD2 PHE A 37 2.725 8.257 -8.670 1.00 1.25 C ATOM 613 CE1 PHE A 37 0.500 7.670 -10.187 1.00 1.15 C ATOM 614 CE2 PHE A 37 2.452 8.991 -9.809 1.00 1.26 C ATOM 615 CZ PHE A 37 1.340 8.698 -10.569 1.00 0.33 C ATOM 0 H PHE A 37 1.800 5.066 -4.689 1.00 0.15 H new ATOM 0 HA PHE A 37 1.621 7.901 -5.600 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.287 6.467 -6.870 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.972 5.372 -7.248 1.00 0.20 H new ATOM 0 HD1 PHE A 37 0.115 6.139 -8.753 1.00 1.13 H new ATOM 0 HD2 PHE A 37 3.601 8.491 -8.083 1.00 1.25 H new ATOM 0 HE1 PHE A 37 -0.372 7.436 -10.780 1.00 1.15 H new ATOM 0 HE2 PHE A 37 3.110 9.795 -10.104 1.00 1.26 H new ATOM 0 HZ PHE A 37 1.126 9.270 -11.460 1.00 0.33 H new ATOM 625 N VAL A 38 -0.785 7.365 -6.367 1.00 0.17 N ATOM 626 CA VAL A 38 -2.197 7.055 -6.529 1.00 0.18 C ATOM 627 C VAL A 38 -2.693 7.365 -7.928 1.00 0.21 C ATOM 628 O VAL A 38 -2.615 8.494 -8.415 1.00 0.25 O ATOM 629 CB VAL A 38 -3.067 7.733 -5.454 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.755 9.215 -5.328 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.549 7.522 -5.731 1.00 0.25 C ATOM 0 H VAL A 38 -0.498 8.279 -6.717 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.296 5.979 -6.387 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.824 7.260 -4.503 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.390 9.656 -4.560 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.708 9.344 -5.053 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.943 9.709 -6.281 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -5.137 8.012 -4.955 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.802 7.948 -6.702 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.770 6.455 -5.734 1.00 0.25 H new ATOM 641 N ASP A 39 -3.200 6.324 -8.559 1.00 0.24 N ATOM 642 CA ASP A 39 -3.640 6.374 -9.937 1.00 0.30 C ATOM 643 C ASP A 39 -5.150 6.197 -10.014 1.00 0.32 C ATOM 644 O ASP A 39 -5.652 5.072 -9.995 1.00 0.29 O ATOM 645 CB ASP A 39 -2.926 5.275 -10.733 1.00 0.30 C ATOM 646 CG ASP A 39 -3.357 5.202 -12.182 1.00 0.44 C ATOM 647 OD1 ASP A 39 -3.128 6.179 -12.927 1.00 1.12 O ATOM 648 OD2 ASP A 39 -3.901 4.153 -12.590 1.00 1.27 O ATOM 0 H ASP A 39 -3.319 5.410 -8.123 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.391 7.345 -10.365 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -1.850 5.447 -10.690 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.114 4.312 -10.257 1.00 0.30 H new ATOM 653 N GLY A 40 -5.867 7.313 -10.058 1.00 0.40 N ATOM 654 CA GLY A 40 -7.319 7.271 -10.104 1.00 0.45 C ATOM 655 C GLY A 40 -7.920 6.709 -8.830 1.00 0.39 C ATOM 656 O GLY A 40 -8.139 7.437 -7.861 1.00 0.43 O ATOM 0 H GLY A 40 -5.468 8.252 -10.063 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.704 8.277 -10.272 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.636 6.663 -10.951 1.00 0.45 H new ATOM 660 N ASP A 41 -8.164 5.406 -8.826 1.00 0.33 N ATOM 661 CA ASP A 41 -8.739 4.725 -7.672 1.00 0.29 C ATOM 662 C ASP A 41 -7.785 3.630 -7.238 1.00 0.21 C ATOM 663 O ASP A 41 -8.178 2.640 -6.623 1.00 0.25 O ATOM 664 CB ASP A 41 -10.102 4.106 -8.005 1.00 0.35 C ATOM 665 CG ASP A 41 -11.051 5.069 -8.687 1.00 0.98 C ATOM 666 OD1 ASP A 41 -10.960 5.224 -9.926 1.00 1.74 O ATOM 667 OD2 ASP A 41 -11.904 5.664 -7.996 1.00 1.72 O ATOM 0 H ASP A 41 -7.971 4.793 -9.618 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.888 5.453 -6.874 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -9.951 3.239 -8.649 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.562 3.744 -7.086 1.00 0.35 H new ATOM 672 N LYS A 42 -6.528 3.807 -7.589 1.00 0.18 N ATOM 673 CA LYS A 42 -5.500 2.824 -7.320 1.00 0.14 C ATOM 674 C LYS A 42 -4.365 3.433 -6.519 1.00 0.12 C ATOM 675 O LYS A 42 -4.096 4.624 -6.626 1.00 0.14 O ATOM 676 CB LYS A 42 -4.969 2.320 -8.649 1.00 0.12 C ATOM 677 CG LYS A 42 -3.694 1.507 -8.564 1.00 0.18 C ATOM 678 CD LYS A 42 -2.938 1.586 -9.877 1.00 0.40 C ATOM 679 CE LYS A 42 -3.813 1.128 -11.031 1.00 0.53 C ATOM 680 NZ LYS A 42 -3.237 1.488 -12.353 1.00 0.41 N ATOM 0 H LYS A 42 -6.190 4.640 -8.071 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.924 2.006 -6.737 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.739 1.711 -9.123 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.793 3.176 -9.301 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -3.069 1.880 -7.752 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.930 0.468 -8.333 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.607 2.610 -10.050 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -2.043 0.966 -9.825 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -3.945 0.047 -10.977 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -4.802 1.576 -10.934 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -3.581 0.823 -13.074 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -3.527 2.454 -12.607 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -2.199 1.440 -12.304 1.00 0.41 H new ATOM 694 N ILE A 43 -3.691 2.611 -5.741 1.00 0.10 N ATOM 695 CA ILE A 43 -2.532 3.050 -4.990 1.00 0.09 C ATOM 696 C ILE A 43 -1.326 2.215 -5.384 1.00 0.08 C ATOM 697 O ILE A 43 -1.451 1.030 -5.674 1.00 0.10 O ATOM 698 CB ILE A 43 -2.807 2.974 -3.474 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.816 4.067 -3.090 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.524 3.081 -2.657 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.200 5.300 -2.439 1.00 0.15 C ATOM 0 H ILE A 43 -3.928 1.627 -5.612 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.319 4.092 -5.227 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.233 1.998 -3.243 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.355 4.376 -3.986 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.551 3.641 -2.407 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.763 3.023 -1.595 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.854 2.264 -2.923 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -1.037 4.033 -2.868 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.986 6.017 -2.202 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.686 5.009 -1.523 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.487 5.756 -3.126 1.00 0.15 H new ATOM 713 N ILE A 44 -0.177 2.854 -5.434 1.00 0.08 N ATOM 714 CA ILE A 44 1.030 2.246 -5.945 1.00 0.09 C ATOM 715 C ILE A 44 2.135 2.354 -4.918 1.00 0.11 C ATOM 716 O ILE A 44 2.306 3.404 -4.323 1.00 0.19 O ATOM 717 CB ILE A 44 1.492 2.969 -7.214 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.271 3.374 -8.057 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.466 2.093 -7.979 1.00 0.19 C ATOM 720 CD1 ILE A 44 0.564 3.578 -9.525 1.00 0.22 C ATOM 0 H ILE A 44 -0.055 3.816 -5.119 1.00 0.08 H new ATOM 0 HA ILE A 44 0.817 1.200 -6.167 1.00 0.09 H new ATOM 0 HB ILE A 44 2.021 3.886 -6.953 1.00 0.14 H new ATOM 0 HG12 ILE A 44 -0.496 2.606 -7.956 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.146 4.296 -7.651 1.00 0.19 H new ATOM 0 HG21 ILE A 44 2.791 2.612 -8.881 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.331 1.877 -7.352 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.976 1.159 -8.255 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -0.352 3.861 -10.043 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.306 4.368 -9.642 1.00 0.22 H new ATOM 0 HD13 ILE A 44 0.950 2.652 -9.951 1.00 0.22 H new ATOM 732 N LEU A 45 2.896 1.298 -4.707 1.00 0.09 N ATOM 733 CA LEU A 45 3.960 1.349 -3.720 1.00 0.10 C ATOM 734 C LEU A 45 5.286 0.915 -4.325 1.00 0.12 C ATOM 735 O LEU A 45 5.326 0.049 -5.200 1.00 0.16 O ATOM 736 CB LEU A 45 3.634 0.477 -2.498 1.00 0.11 C ATOM 737 CG LEU A 45 2.711 1.098 -1.439 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.307 1.309 -1.969 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.663 0.226 -0.201 1.00 0.23 C ATOM 0 H LEU A 45 2.802 0.408 -5.196 1.00 0.09 H new ATOM 0 HA LEU A 45 4.045 2.385 -3.391 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.175 -0.447 -2.851 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.572 0.203 -2.015 1.00 0.11 H new ATOM 0 HG LEU A 45 3.125 2.073 -1.181 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.686 1.750 -1.189 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.339 1.978 -2.829 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.884 0.351 -2.271 1.00 0.17 H new ATOM 0 HD21 LEU A 45 2.005 0.681 0.539 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.284 -0.761 -0.466 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.666 0.130 0.216 1.00 0.23 H new ATOM 751 N LYS A 46 6.358 1.551 -3.874 1.00 0.15 N ATOM 752 CA LYS A 46 7.710 1.195 -4.286 1.00 0.24 C ATOM 753 C LYS A 46 8.655 1.324 -3.104 1.00 0.25 C ATOM 754 O LYS A 46 8.400 2.097 -2.183 1.00 0.41 O ATOM 755 CB LYS A 46 8.200 2.120 -5.409 1.00 0.45 C ATOM 756 CG LYS A 46 8.279 3.580 -4.985 1.00 0.81 C ATOM 757 CD LYS A 46 9.220 4.399 -5.856 1.00 1.10 C ATOM 758 CE LYS A 46 9.281 5.835 -5.363 1.00 1.19 C ATOM 759 NZ LYS A 46 10.316 6.645 -6.052 1.00 1.52 N ATOM 0 H LYS A 46 6.316 2.327 -3.213 1.00 0.15 H new ATOM 0 HA LYS A 46 7.695 0.167 -4.649 1.00 0.24 H new ATOM 0 HB2 LYS A 46 9.184 1.790 -5.741 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.529 2.031 -6.264 1.00 0.45 H new ATOM 0 HG2 LYS A 46 7.282 4.019 -5.024 1.00 0.81 H new ATOM 0 HG3 LYS A 46 8.611 3.635 -3.948 1.00 0.81 H new ATOM 0 HD2 LYS A 46 10.217 3.959 -5.839 1.00 1.10 H new ATOM 0 HD3 LYS A 46 8.879 4.377 -6.891 1.00 1.10 H new ATOM 0 HE2 LYS A 46 8.307 6.303 -5.506 1.00 1.19 H new ATOM 0 HE3 LYS A 46 9.481 5.837 -4.292 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.198 7.647 -5.799 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 11.261 6.323 -5.760 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 10.216 6.534 -7.081 1.00 1.52 H new ATOM 773 N LYS A 47 9.734 0.564 -3.126 1.00 0.23 N ATOM 774 CA LYS A 47 10.817 0.775 -2.180 1.00 0.25 C ATOM 775 C LYS A 47 11.580 2.020 -2.621 1.00 0.27 C ATOM 776 O LYS A 47 11.828 2.203 -3.815 1.00 0.39 O ATOM 777 CB LYS A 47 11.733 -0.453 -2.135 1.00 0.33 C ATOM 778 CG LYS A 47 12.511 -0.607 -0.832 1.00 0.40 C ATOM 779 CD LYS A 47 13.565 0.475 -0.653 1.00 0.44 C ATOM 780 CE LYS A 47 14.404 0.264 0.595 1.00 0.77 C ATOM 781 NZ LYS A 47 14.998 -1.093 0.640 1.00 0.53 N ATOM 0 H LYS A 47 9.885 -0.201 -3.784 1.00 0.23 H new ATOM 0 HA LYS A 47 10.427 0.919 -1.172 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.130 -1.347 -2.293 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.440 -0.395 -2.962 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.817 -0.576 0.008 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.992 -1.585 -0.813 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.216 0.492 -1.527 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.077 1.448 -0.600 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.199 1.009 0.628 1.00 0.77 H new ATOM 0 HE3 LYS A 47 13.785 0.419 1.479 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 15.901 -1.060 1.154 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 14.346 -1.741 1.126 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.164 -1.432 -0.329 1.00 0.53 H new ATOM 795 N TYR A 48 11.955 2.865 -1.669 1.00 0.23 N ATOM 796 CA TYR A 48 12.471 4.189 -1.992 1.00 0.29 C ATOM 797 C TYR A 48 13.819 4.105 -2.705 1.00 0.38 C ATOM 798 O TYR A 48 13.971 4.587 -3.822 1.00 0.41 O ATOM 799 CB TYR A 48 12.604 5.023 -0.715 1.00 0.36 C ATOM 800 CG TYR A 48 12.892 6.482 -0.971 1.00 0.53 C ATOM 801 CD1 TYR A 48 11.998 7.263 -1.691 1.00 1.37 C ATOM 802 CD2 TYR A 48 14.049 7.079 -0.490 1.00 1.15 C ATOM 803 CE1 TYR A 48 12.249 8.598 -1.927 1.00 1.49 C ATOM 804 CE2 TYR A 48 14.306 8.415 -0.723 1.00 1.26 C ATOM 805 CZ TYR A 48 13.404 9.170 -1.441 1.00 0.93 C ATOM 806 OH TYR A 48 13.653 10.502 -1.670 1.00 1.14 O ATOM 0 H TYR A 48 11.912 2.658 -0.671 1.00 0.23 H new ATOM 0 HA TYR A 48 11.764 4.670 -2.668 1.00 0.29 H new ATOM 0 HB2 TYR A 48 11.682 4.939 -0.139 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.402 4.606 -0.101 1.00 0.36 H new ATOM 0 HD1 TYR A 48 11.091 6.818 -2.072 1.00 1.37 H new ATOM 0 HD2 TYR A 48 14.757 6.490 0.074 1.00 1.15 H new ATOM 0 HE1 TYR A 48 11.544 9.192 -2.490 1.00 1.49 H new ATOM 0 HE2 TYR A 48 15.211 8.867 -0.344 1.00 1.26 H new ATOM 0 HH TYR A 48 14.508 10.750 -1.260 1.00 1.14 H new ATOM 816 N LYS A 49 14.773 3.463 -2.050 1.00 0.45 N ATOM 817 CA LYS A 49 16.162 3.422 -2.511 1.00 0.63 C ATOM 818 C LYS A 49 16.317 2.933 -3.970 1.00 0.71 C ATOM 819 O LYS A 49 16.787 3.693 -4.814 1.00 0.82 O ATOM 820 CB LYS A 49 16.979 2.552 -1.554 1.00 0.70 C ATOM 821 CG LYS A 49 18.469 2.846 -1.579 1.00 0.99 C ATOM 822 CD LYS A 49 19.214 2.026 -0.537 1.00 1.63 C ATOM 823 CE LYS A 49 20.678 2.420 -0.463 1.00 2.21 C ATOM 824 NZ LYS A 49 20.855 3.823 -0.003 1.00 3.15 N ATOM 0 H LYS A 49 14.611 2.953 -1.182 1.00 0.45 H new ATOM 0 HA LYS A 49 16.537 4.445 -2.507 1.00 0.63 H new ATOM 0 HB2 LYS A 49 16.607 2.696 -0.540 1.00 0.70 H new ATOM 0 HB3 LYS A 49 16.821 1.503 -1.806 1.00 0.70 H new ATOM 0 HG2 LYS A 49 18.868 2.627 -2.570 1.00 0.99 H new ATOM 0 HG3 LYS A 49 18.635 3.908 -1.396 1.00 0.99 H new ATOM 0 HD2 LYS A 49 18.749 2.166 0.439 1.00 1.63 H new ATOM 0 HD3 LYS A 49 19.133 0.967 -0.780 1.00 1.63 H new ATOM 0 HE2 LYS A 49 21.201 1.747 0.217 1.00 2.21 H new ATOM 0 HE3 LYS A 49 21.136 2.300 -1.445 1.00 2.21 H new ATOM 0 HZ1 LYS A 49 21.837 3.965 0.308 1.00 3.15 H new ATOM 0 HZ2 LYS A 49 20.642 4.474 -0.785 1.00 3.15 H new ATOM 0 HZ3 LYS A 49 20.210 4.012 0.790 1.00 3.15 H new ATOM 838 N PRO A 50 15.920 1.680 -4.308 1.00 0.73 N ATOM 839 CA PRO A 50 16.176 1.098 -5.641 1.00 0.90 C ATOM 840 C PRO A 50 15.422 1.794 -6.774 1.00 1.00 C ATOM 841 O PRO A 50 15.815 1.698 -7.937 1.00 1.56 O ATOM 842 CB PRO A 50 15.692 -0.354 -5.516 1.00 0.99 C ATOM 843 CG PRO A 50 15.546 -0.599 -4.056 1.00 0.85 C ATOM 844 CD PRO A 50 15.207 0.729 -3.447 1.00 0.65 C ATOM 0 HA PRO A 50 17.229 1.201 -5.901 1.00 0.90 H new ATOM 0 HB2 PRO A 50 14.744 -0.498 -6.035 1.00 0.99 H new ATOM 0 HB3 PRO A 50 16.407 -1.046 -5.961 1.00 0.99 H new ATOM 0 HG2 PRO A 50 14.762 -1.330 -3.859 1.00 0.85 H new ATOM 0 HG3 PRO A 50 16.468 -0.999 -3.633 1.00 0.85 H new ATOM 0 HD2 PRO A 50 14.132 0.911 -3.448 1.00 0.65 H new ATOM 0 HD3 PRO A 50 15.540 0.795 -2.411 1.00 0.65 H new ATOM 852 N HIS A 51 14.335 2.477 -6.447 1.00 1.42 N ATOM 853 CA HIS A 51 13.540 3.153 -7.470 1.00 1.56 C ATOM 854 C HIS A 51 13.781 4.653 -7.437 1.00 1.82 C ATOM 855 O HIS A 51 13.162 5.410 -8.185 1.00 2.35 O ATOM 856 CB HIS A 51 12.051 2.847 -7.301 1.00 2.08 C ATOM 857 CG HIS A 51 11.680 1.447 -7.688 1.00 3.08 C ATOM 858 ND1 HIS A 51 11.369 1.077 -8.978 1.00 3.93 N ATOM 859 CD2 HIS A 51 11.569 0.322 -6.941 1.00 3.73 C ATOM 860 CE1 HIS A 51 11.083 -0.211 -9.008 1.00 4.77 C ATOM 861 NE2 HIS A 51 11.198 -0.693 -7.785 1.00 4.67 N ATOM 0 H HIS A 51 13.984 2.579 -5.495 1.00 1.42 H new ATOM 0 HA HIS A 51 13.856 2.774 -8.442 1.00 1.56 H new ATOM 0 HB2 HIS A 51 11.770 3.015 -6.261 1.00 2.08 H new ATOM 0 HB3 HIS A 51 11.474 3.547 -7.904 1.00 2.08 H new ATOM 0 HD1 HIS A 51 11.361 1.701 -9.785 1.00 3.93 H new ATOM 0 HD2 HIS A 51 11.741 0.240 -5.878 1.00 3.73 H new ATOM 0 HE1 HIS A 51 10.802 -0.775 -9.885 1.00 4.77 H new ATOM 870 N GLY A 52 14.679 5.074 -6.561 1.00 2.13 N ATOM 871 CA GLY A 52 15.050 6.467 -6.481 1.00 2.84 C ATOM 872 C GLY A 52 13.960 7.335 -5.891 1.00 2.91 C ATOM 873 O GLY A 52 12.991 6.836 -5.309 1.00 3.15 O ATOM 0 H GLY A 52 15.161 4.467 -5.898 1.00 2.13 H new ATOM 0 HA2 GLY A 52 15.951 6.563 -5.876 1.00 2.84 H new ATOM 0 HA3 GLY A 52 15.296 6.830 -7.479 1.00 2.84 H new ATOM 877 N VAL A 53 14.118 8.636 -6.054 1.00 3.09 N ATOM 878 CA VAL A 53 13.166 9.602 -5.532 1.00 3.28 C ATOM 879 C VAL A 53 11.870 9.555 -6.337 1.00 2.62 C ATOM 880 O VAL A 53 11.842 9.021 -7.448 1.00 2.42 O ATOM 881 CB VAL A 53 13.775 11.029 -5.554 1.00 4.14 C ATOM 882 CG1 VAL A 53 13.960 11.528 -6.978 1.00 4.29 C ATOM 883 CG2 VAL A 53 12.936 12.007 -4.743 1.00 4.59 C ATOM 0 H VAL A 53 14.906 9.052 -6.550 1.00 3.09 H new ATOM 0 HA VAL A 53 12.938 9.345 -4.498 1.00 3.28 H new ATOM 0 HB VAL A 53 14.758 10.968 -5.088 1.00 4.14 H new ATOM 0 HG11 VAL A 53 14.388 12.530 -6.960 1.00 4.29 H new ATOM 0 HG12 VAL A 53 14.630 10.857 -7.515 1.00 4.29 H new ATOM 0 HG13 VAL A 53 12.994 11.556 -7.482 1.00 4.29 H new ATOM 0 HG21 VAL A 53 13.392 12.996 -4.781 1.00 4.59 H new ATOM 0 HG22 VAL A 53 11.930 12.055 -5.159 1.00 4.59 H new ATOM 0 HG23 VAL A 53 12.884 11.670 -3.708 1.00 4.59 H new ATOM 893 N CYS A 54 10.802 10.058 -5.733 1.00 2.51 N ATOM 894 CA CYS A 54 9.494 10.160 -6.365 1.00 1.97 C ATOM 895 C CYS A 54 9.602 10.633 -7.814 1.00 1.82 C ATOM 896 O CYS A 54 9.332 9.827 -8.732 1.00 2.05 O ATOM 897 CB CYS A 54 8.624 11.124 -5.560 1.00 2.32 C ATOM 898 SG CYS A 54 9.370 12.751 -5.309 1.00 3.01 S ATOM 899 OXT CYS A 54 9.965 11.805 -8.032 1.00 2.32 O ATOM 0 H CYS A 54 10.820 10.412 -4.776 1.00 2.51 H new ATOM 0 HA CYS A 54 9.039 9.169 -6.379 1.00 1.97 H new ATOM 0 HB2 CYS A 54 7.669 11.248 -6.070 1.00 2.32 H new ATOM 0 HB3 CYS A 54 8.410 10.679 -4.588 1.00 2.32 H new ATOM 0 HG CYS A 54 9.975 13.123 -6.398 1.00 3.01 H new TER 905 CYS A 54 ATOM 906 N MET B 1 8.169 11.751 -10.378 1.00 2.50 N ATOM 907 CA MET B 1 7.313 12.403 -9.367 1.00 2.21 C ATOM 908 C MET B 1 6.220 11.446 -8.925 1.00 1.71 C ATOM 909 O MET B 1 5.645 10.725 -9.746 1.00 2.31 O ATOM 910 CB MET B 1 6.681 13.676 -9.934 1.00 2.56 C ATOM 911 CG MET B 1 7.690 14.694 -10.436 1.00 3.07 C ATOM 912 SD MET B 1 8.774 15.307 -9.135 1.00 3.74 S ATOM 913 CE MET B 1 9.841 16.395 -10.079 1.00 4.38 C ATOM 0 H1 MET B 1 8.992 12.355 -10.578 1.00 2.50 H new ATOM 0 H2 MET B 1 8.494 10.832 -10.017 1.00 2.50 H new ATOM 0 H3 MET B 1 7.625 11.607 -11.253 1.00 2.50 H new ATOM 0 HA MET B 1 7.932 12.672 -8.511 1.00 2.21 H new ATOM 0 HB2 MET B 1 6.015 13.405 -10.753 1.00 2.56 H new ATOM 0 HB3 MET B 1 6.066 14.139 -9.162 1.00 2.56 H new ATOM 0 HG2 MET B 1 8.294 14.242 -11.222 1.00 3.07 H new ATOM 0 HG3 MET B 1 7.159 15.533 -10.885 1.00 3.07 H new ATOM 0 HE1 MET B 1 10.572 16.855 -9.414 1.00 4.38 H new ATOM 0 HE2 MET B 1 10.360 15.820 -10.846 1.00 4.38 H new ATOM 0 HE3 MET B 1 9.241 17.173 -10.552 1.00 4.38 H new ATOM 925 N LYS B 2 5.936 11.427 -7.633 1.00 1.10 N ATOM 926 CA LYS B 2 4.856 10.608 -7.123 1.00 0.64 C ATOM 927 C LYS B 2 3.592 11.440 -6.998 1.00 0.56 C ATOM 928 O LYS B 2 3.622 12.659 -7.151 1.00 1.00 O ATOM 929 CB LYS B 2 5.188 9.990 -5.757 1.00 0.80 C ATOM 930 CG LYS B 2 6.162 8.823 -5.807 1.00 0.68 C ATOM 931 CD LYS B 2 5.687 7.724 -6.744 1.00 0.88 C ATOM 932 CE LYS B 2 5.958 6.343 -6.170 1.00 1.04 C ATOM 933 NZ LYS B 2 5.696 5.261 -7.158 1.00 1.73 N ATOM 0 H LYS B 2 6.435 11.966 -6.925 1.00 1.10 H new ATOM 0 HA LYS B 2 4.708 9.794 -7.833 1.00 0.64 H new ATOM 0 HB2 LYS B 2 5.604 10.766 -5.114 1.00 0.80 H new ATOM 0 HB3 LYS B 2 4.262 9.653 -5.291 1.00 0.80 H new ATOM 0 HG2 LYS B 2 7.139 9.180 -6.133 1.00 0.68 H new ATOM 0 HG3 LYS B 2 6.290 8.414 -4.805 1.00 0.68 H new ATOM 0 HD2 LYS B 2 4.619 7.839 -6.928 1.00 0.88 H new ATOM 0 HD3 LYS B 2 6.189 7.824 -7.706 1.00 0.88 H new ATOM 0 HE2 LYS B 2 6.995 6.286 -5.839 1.00 1.04 H new ATOM 0 HE3 LYS B 2 5.333 6.188 -5.290 1.00 1.04 H new ATOM 0 HZ1 LYS B 2 5.314 4.428 -6.667 1.00 1.73 H new ATOM 0 HZ2 LYS B 2 5.007 5.594 -7.863 1.00 1.73 H new ATOM 0 HZ3 LYS B 2 6.584 5.005 -7.636 1.00 1.73 H new ATOM 947 N SER B 3 2.487 10.778 -6.724 1.00 0.56 N ATOM 948 CA SER B 3 1.231 11.462 -6.479 1.00 0.42 C ATOM 949 C SER B 3 1.235 12.046 -5.079 1.00 0.34 C ATOM 950 O SER B 3 1.026 13.243 -4.877 1.00 0.45 O ATOM 951 CB SER B 3 0.078 10.478 -6.615 1.00 0.50 C ATOM 952 OG SER B 3 0.105 9.835 -7.869 1.00 0.75 O ATOM 0 H SER B 3 2.432 9.761 -6.665 1.00 0.56 H new ATOM 0 HA SER B 3 1.110 12.264 -7.207 1.00 0.42 H new ATOM 0 HB2 SER B 3 0.135 9.734 -5.820 1.00 0.50 H new ATOM 0 HB3 SER B 3 -0.869 11.004 -6.493 1.00 0.50 H new ATOM 0 HG SER B 3 0.897 9.260 -7.925 1.00 0.75 H new ATOM 958 N ILE B 4 1.503 11.176 -4.120 1.00 0.30 N ATOM 959 CA ILE B 4 1.505 11.544 -2.721 1.00 0.28 C ATOM 960 C ILE B 4 2.894 12.018 -2.317 1.00 0.31 C ATOM 961 O ILE B 4 3.048 12.967 -1.550 1.00 0.37 O ATOM 962 CB ILE B 4 1.098 10.342 -1.848 1.00 0.25 C ATOM 963 CG1 ILE B 4 -0.046 9.562 -2.516 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.677 10.822 -0.470 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.366 8.252 -1.830 1.00 0.28 C ATOM 0 H ILE B 4 1.725 10.196 -4.293 1.00 0.30 H new ATOM 0 HA ILE B 4 0.785 12.349 -2.571 1.00 0.28 H new ATOM 0 HB ILE B 4 1.954 9.676 -1.742 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.941 10.184 -2.528 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.218 9.364 -3.555 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.391 9.966 0.142 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.509 11.344 0.003 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.171 11.501 -0.564 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -1.182 7.756 -2.355 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.515 7.611 -1.841 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.662 8.444 -0.799 1.00 0.28 H new ATOM 977 N GLY B 5 3.903 11.342 -2.859 1.00 0.33 N ATOM 978 CA GLY B 5 5.282 11.705 -2.594 1.00 0.38 C ATOM 979 C GLY B 5 5.673 11.456 -1.154 1.00 0.34 C ATOM 980 O GLY B 5 6.470 12.203 -0.582 1.00 0.46 O ATOM 0 H GLY B 5 3.787 10.543 -3.482 1.00 0.33 H new ATOM 0 HA2 GLY B 5 5.939 11.134 -3.251 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.431 12.758 -2.832 1.00 0.38 H new ATOM 984 N VAL B 6 5.106 10.414 -0.562 1.00 0.24 N ATOM 985 CA VAL B 6 5.397 10.078 0.825 1.00 0.22 C ATOM 986 C VAL B 6 5.955 8.670 0.936 1.00 0.21 C ATOM 987 O VAL B 6 5.544 7.768 0.206 1.00 0.25 O ATOM 988 CB VAL B 6 4.155 10.205 1.741 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.636 11.635 1.761 1.00 0.26 C ATOM 990 CG2 VAL B 6 3.058 9.248 1.308 1.00 0.20 C ATOM 0 H VAL B 6 4.443 9.788 -1.019 1.00 0.24 H new ATOM 0 HA VAL B 6 6.141 10.799 1.163 1.00 0.22 H new ATOM 0 HB VAL B 6 4.461 9.938 2.753 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.764 11.696 2.412 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.415 12.300 2.135 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.357 11.935 0.751 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.198 9.358 1.968 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.761 9.474 0.284 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.427 8.224 1.361 1.00 0.20 H new ATOM 1000 N VAL B 7 6.870 8.489 1.871 1.00 0.18 N ATOM 1001 CA VAL B 7 7.490 7.195 2.096 1.00 0.16 C ATOM 1002 C VAL B 7 7.260 6.781 3.542 1.00 0.18 C ATOM 1003 O VAL B 7 7.240 7.625 4.441 1.00 0.23 O ATOM 1004 CB VAL B 7 9.004 7.200 1.754 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.779 8.140 2.669 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.574 5.784 1.803 1.00 0.19 C ATOM 0 H VAL B 7 7.202 9.227 2.491 1.00 0.18 H new ATOM 0 HA VAL B 7 7.027 6.470 1.426 1.00 0.16 H new ATOM 0 HB VAL B 7 9.116 7.574 0.736 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.836 8.119 2.402 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.397 9.154 2.557 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.660 7.820 3.704 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.636 5.811 1.560 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.441 5.373 2.804 1.00 0.19 H new ATOM 0 HG23 VAL B 7 9.052 5.157 1.080 1.00 0.19 H new ATOM 1016 N ARG B 8 7.039 5.497 3.757 1.00 0.15 N ATOM 1017 CA ARG B 8 6.702 4.987 5.072 1.00 0.16 C ATOM 1018 C ARG B 8 7.693 3.941 5.504 1.00 0.16 C ATOM 1019 O ARG B 8 8.277 3.241 4.676 1.00 0.16 O ATOM 1020 CB ARG B 8 5.296 4.377 5.089 1.00 0.16 C ATOM 1021 CG ARG B 8 4.221 5.341 5.558 1.00 0.18 C ATOM 1022 CD ARG B 8 4.259 6.639 4.778 1.00 0.23 C ATOM 1023 NE ARG B 8 3.402 7.668 5.349 1.00 0.50 N ATOM 1024 CZ ARG B 8 3.806 8.918 5.568 1.00 0.51 C ATOM 1025 NH1 ARG B 8 5.061 9.268 5.298 1.00 0.80 N ATOM 1026 NH2 ARG B 8 2.966 9.811 6.065 1.00 0.82 N ATOM 0 H ARG B 8 7.088 4.783 3.030 1.00 0.15 H new ATOM 0 HA ARG B 8 6.732 5.829 5.763 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.048 4.029 4.086 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.296 3.502 5.739 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.241 4.877 5.446 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.356 5.549 6.619 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.285 7.006 4.743 1.00 0.23 H new ATOM 0 HD3 ARG B 8 3.953 6.448 3.749 1.00 0.23 H new ATOM 0 HE ARG B 8 2.444 7.419 5.594 1.00 0.50 H new ATOM 0 HH11 ARG B 8 5.713 8.579 4.923 1.00 0.80 H new ATOM 0 HH12 ARG B 8 5.371 10.225 5.466 1.00 0.80 H new ATOM 0 HH21 ARG B 8 2.006 9.543 6.282 1.00 0.82 H new ATOM 0 HH22 ARG B 8 3.278 10.768 6.232 1.00 0.82 H new ATOM 1040 N LYS B 9 7.902 3.865 6.795 1.00 0.18 N ATOM 1041 CA LYS B 9 8.708 2.817 7.368 1.00 0.19 C ATOM 1042 C LYS B 9 7.803 1.791 8.028 1.00 0.19 C ATOM 1043 O LYS B 9 6.934 2.145 8.824 1.00 0.23 O ATOM 1044 CB LYS B 9 9.690 3.401 8.379 1.00 0.22 C ATOM 1045 CG LYS B 9 10.605 4.474 7.800 1.00 0.25 C ATOM 1046 CD LYS B 9 11.235 4.038 6.481 1.00 0.25 C ATOM 1047 CE LYS B 9 12.295 5.021 6.007 1.00 0.68 C ATOM 1048 NZ LYS B 9 13.551 4.930 6.803 1.00 0.91 N ATOM 0 H LYS B 9 7.521 4.524 7.474 1.00 0.18 H new ATOM 0 HA LYS B 9 9.283 2.328 6.582 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.130 3.826 9.212 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.302 2.595 8.784 1.00 0.22 H new ATOM 0 HG2 LYS B 9 10.036 5.390 7.644 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.392 4.706 8.518 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.682 3.051 6.601 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.459 3.946 5.721 1.00 0.25 H new ATOM 0 HE2 LYS B 9 12.519 4.831 4.957 1.00 0.68 H new ATOM 0 HE3 LYS B 9 11.900 6.035 6.071 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 14.270 5.557 6.390 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 13.362 5.219 7.784 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 13.899 3.950 6.792 1.00 0.91 H new ATOM 1062 N VAL B 10 7.996 0.533 7.669 1.00 0.18 N ATOM 1063 CA VAL B 10 7.210 -0.563 8.214 1.00 0.19 C ATOM 1064 C VAL B 10 7.339 -0.627 9.734 1.00 0.20 C ATOM 1065 O VAL B 10 8.414 -0.403 10.275 1.00 0.23 O ATOM 1066 CB VAL B 10 7.653 -1.911 7.591 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.082 -3.085 8.358 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.242 -1.985 6.131 1.00 0.25 C ATOM 0 H VAL B 10 8.701 0.242 6.992 1.00 0.18 H new ATOM 0 HA VAL B 10 6.165 -0.381 7.963 1.00 0.19 H new ATOM 0 HB VAL B 10 8.740 -1.964 7.653 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.411 -4.016 7.896 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.430 -3.049 9.390 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.993 -3.036 8.340 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.562 -2.939 5.711 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.158 -1.899 6.053 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.711 -1.170 5.579 1.00 0.25 H new ATOM 1078 N ASP B 11 6.223 -0.892 10.411 1.00 0.20 N ATOM 1079 CA ASP B 11 6.233 -1.110 11.853 1.00 0.21 C ATOM 1080 C ASP B 11 7.182 -2.258 12.189 1.00 0.22 C ATOM 1081 O ASP B 11 8.294 -2.033 12.661 1.00 0.25 O ATOM 1082 CB ASP B 11 4.814 -1.417 12.347 1.00 0.26 C ATOM 1083 CG ASP B 11 4.755 -1.740 13.826 1.00 1.13 C ATOM 1084 OD1 ASP B 11 4.916 -0.814 14.649 1.00 1.95 O ATOM 1085 OD2 ASP B 11 4.512 -2.918 14.168 1.00 1.86 O ATOM 0 H ASP B 11 5.300 -0.961 9.982 1.00 0.20 H new ATOM 0 HA ASP B 11 6.582 -0.208 12.355 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.172 -0.560 12.143 1.00 0.26 H new ATOM 0 HB3 ASP B 11 4.413 -2.258 11.781 1.00 0.26 H new ATOM 1090 N GLU B 12 6.724 -3.478 11.929 1.00 0.25 N ATOM 1091 CA GLU B 12 7.556 -4.679 12.005 1.00 0.28 C ATOM 1092 C GLU B 12 6.983 -5.727 11.065 1.00 0.28 C ATOM 1093 O GLU B 12 7.653 -6.220 10.159 1.00 0.32 O ATOM 1094 CB GLU B 12 7.591 -5.270 13.421 1.00 0.31 C ATOM 1095 CG GLU B 12 8.140 -4.346 14.487 1.00 0.35 C ATOM 1096 CD GLU B 12 8.403 -5.068 15.788 1.00 0.38 C ATOM 1097 OE1 GLU B 12 9.497 -5.647 15.937 1.00 1.20 O ATOM 1098 OE2 GLU B 12 7.513 -5.072 16.667 1.00 1.11 O ATOM 0 H GLU B 12 5.759 -3.665 11.658 1.00 0.25 H new ATOM 0 HA GLU B 12 8.572 -4.400 11.727 1.00 0.28 H new ATOM 0 HB2 GLU B 12 6.579 -5.563 13.701 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.193 -6.179 13.404 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.065 -3.893 14.131 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.434 -3.534 14.660 1.00 0.35 H new ATOM 1105 N LEU B 13 5.709 -6.029 11.292 1.00 0.26 N ATOM 1106 CA LEU B 13 4.975 -7.040 10.532 1.00 0.25 C ATOM 1107 C LEU B 13 4.899 -6.679 9.053 1.00 0.21 C ATOM 1108 O LEU B 13 4.835 -7.547 8.184 1.00 0.24 O ATOM 1109 CB LEU B 13 3.549 -7.128 11.073 1.00 0.27 C ATOM 1110 CG LEU B 13 3.417 -7.251 12.589 1.00 0.32 C ATOM 1111 CD1 LEU B 13 1.985 -6.952 13.004 1.00 0.64 C ATOM 1112 CD2 LEU B 13 3.835 -8.638 13.056 1.00 0.62 C ATOM 0 H LEU B 13 5.150 -5.576 12.015 1.00 0.26 H new ATOM 0 HA LEU B 13 5.500 -7.989 10.637 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.004 -6.241 10.751 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.059 -7.987 10.614 1.00 0.27 H new ATOM 0 HG LEU B 13 4.080 -6.526 13.061 1.00 0.32 H new ATOM 0 HD11 LEU B 13 1.894 -7.041 14.087 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.722 -5.939 12.699 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.311 -7.662 12.524 1.00 0.64 H new ATOM 0 HD21 LEU B 13 3.733 -8.703 14.139 1.00 0.62 H new ATOM 0 HD22 LEU B 13 3.198 -9.387 12.586 1.00 0.62 H new ATOM 0 HD23 LEU B 13 4.873 -8.818 12.778 1.00 0.62 H new ATOM 1124 N GLY B 14 4.903 -5.387 8.787 1.00 0.17 N ATOM 1125 CA GLY B 14 4.659 -4.894 7.449 1.00 0.14 C ATOM 1126 C GLY B 14 3.625 -3.792 7.461 1.00 0.10 C ATOM 1127 O GLY B 14 3.239 -3.272 6.419 1.00 0.09 O ATOM 0 H GLY B 14 5.073 -4.660 9.482 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.589 -4.521 7.019 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.319 -5.711 6.813 1.00 0.14 H new ATOM 1131 N ARG B 15 3.189 -3.421 8.656 1.00 0.10 N ATOM 1132 CA ARG B 15 2.161 -2.408 8.810 1.00 0.10 C ATOM 1133 C ARG B 15 2.755 -1.017 8.606 1.00 0.09 C ATOM 1134 O ARG B 15 3.731 -0.653 9.259 1.00 0.12 O ATOM 1135 CB ARG B 15 1.524 -2.496 10.206 1.00 0.17 C ATOM 1136 CG ARG B 15 1.044 -3.891 10.583 1.00 0.23 C ATOM 1137 CD ARG B 15 0.083 -3.865 11.761 1.00 0.42 C ATOM 1138 NE ARG B 15 -1.169 -3.172 11.449 1.00 1.48 N ATOM 1139 CZ ARG B 15 -1.696 -2.220 12.220 1.00 1.80 C ATOM 1140 NH1 ARG B 15 -1.043 -1.799 13.297 1.00 1.45 N ATOM 1141 NH2 ARG B 15 -2.865 -1.672 11.906 1.00 2.89 N ATOM 0 H ARG B 15 3.534 -3.809 9.534 1.00 0.10 H new ATOM 0 HA ARG B 15 1.392 -2.584 8.058 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.250 -2.161 10.947 1.00 0.17 H new ATOM 0 HB3 ARG B 15 0.680 -1.808 10.253 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.553 -4.349 9.725 1.00 0.23 H new ATOM 0 HG3 ARG B 15 1.903 -4.515 10.830 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.138 -4.887 12.068 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.564 -3.375 12.608 1.00 0.42 H new ATOM 0 HE ARG B 15 -1.665 -3.431 10.596 1.00 1.48 H new ATOM 0 HH11 ARG B 15 -0.138 -2.204 13.535 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -1.447 -1.071 13.886 1.00 1.45 H new ATOM 0 HH21 ARG B 15 -3.364 -1.979 11.071 1.00 2.89 H new ATOM 0 HH22 ARG B 15 -3.263 -0.944 12.500 1.00 2.89 H new ATOM 1155 N ILE B 16 2.173 -0.252 7.696 1.00 0.09 N ATOM 1156 CA ILE B 16 2.622 1.109 7.436 1.00 0.09 C ATOM 1157 C ILE B 16 1.406 2.029 7.414 1.00 0.09 C ATOM 1158 O ILE B 16 0.283 1.569 7.604 1.00 0.10 O ATOM 1159 CB ILE B 16 3.413 1.229 6.107 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.469 1.364 4.914 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.343 0.038 5.922 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.173 1.301 3.579 1.00 0.12 C ATOM 0 H ILE B 16 1.385 -0.551 7.122 1.00 0.09 H new ATOM 0 HA ILE B 16 3.307 1.401 8.232 1.00 0.09 H new ATOM 0 HB ILE B 16 4.019 2.133 6.161 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.722 0.571 4.960 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.934 2.311 4.989 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.887 0.144 4.984 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.051 -0.003 6.750 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.757 -0.881 5.900 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.442 1.403 2.777 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.900 2.110 3.513 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.685 0.344 3.483 1.00 0.12 H new ATOM 1174 N VAL B 17 1.613 3.310 7.171 1.00 0.09 N ATOM 1175 CA VAL B 17 0.518 4.260 7.241 1.00 0.09 C ATOM 1176 C VAL B 17 0.186 4.818 5.863 1.00 0.09 C ATOM 1177 O VAL B 17 0.981 5.536 5.253 1.00 0.13 O ATOM 1178 CB VAL B 17 0.790 5.408 8.253 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.163 6.030 8.051 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.300 6.472 8.172 1.00 0.11 C ATOM 0 H VAL B 17 2.517 3.713 6.926 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.349 3.711 7.609 1.00 0.09 H new ATOM 0 HB VAL B 17 0.774 4.969 9.251 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.312 6.828 8.779 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.931 5.268 8.186 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.232 6.441 7.044 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.088 7.265 8.889 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.326 6.890 7.166 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.266 6.022 8.403 1.00 0.11 H new ATOM 1190 N MET B 18 -0.981 4.442 5.367 1.00 0.09 N ATOM 1191 CA MET B 18 -1.500 4.995 4.123 1.00 0.09 C ATOM 1192 C MET B 18 -2.112 6.352 4.439 1.00 0.08 C ATOM 1193 O MET B 18 -2.663 6.536 5.524 1.00 0.15 O ATOM 1194 CB MET B 18 -2.564 4.074 3.512 1.00 0.17 C ATOM 1195 CG MET B 18 -2.110 2.634 3.284 1.00 0.20 C ATOM 1196 SD MET B 18 -1.514 2.323 1.610 1.00 0.90 S ATOM 1197 CE MET B 18 0.035 3.209 1.598 1.00 0.50 C ATOM 0 H MET B 18 -1.591 3.753 5.808 1.00 0.09 H new ATOM 0 HA MET B 18 -0.692 5.091 3.398 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.436 4.066 4.166 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.884 4.494 2.559 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.318 2.395 3.993 1.00 0.20 H new ATOM 0 HG3 MET B 18 -2.941 1.962 3.496 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.742 2.697 0.945 1.00 0.50 H new ATOM 0 HE2 MET B 18 -0.129 4.223 1.232 1.00 0.50 H new ATOM 0 HE3 MET B 18 0.439 3.249 2.610 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.031 7.324 3.531 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.446 8.673 3.835 1.00 0.11 C ATOM 1209 C PRO B 19 -3.923 8.933 3.554 1.00 0.12 C ATOM 1210 O PRO B 19 -4.619 8.136 2.902 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.552 9.521 2.928 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.126 8.627 1.803 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.540 7.210 2.153 1.00 0.14 C ATOM 0 HA PRO B 19 -2.343 8.898 4.896 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.092 10.389 2.551 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.687 9.896 3.475 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.591 8.941 0.869 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.047 8.685 1.657 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.315 6.841 1.481 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.701 6.518 2.082 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.402 10.054 4.075 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.736 10.547 3.777 1.00 0.17 C ATOM 1223 C ILE B 20 -5.982 10.573 2.269 1.00 0.16 C ATOM 1224 O ILE B 20 -7.102 10.375 1.815 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.926 11.959 4.361 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.260 12.566 3.913 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.747 12.846 3.980 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.464 11.956 4.597 1.00 0.27 C ATOM 0 H ILE B 20 -3.875 10.646 4.717 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.457 9.870 4.235 1.00 0.17 H new ATOM 0 HB ILE B 20 -5.957 11.887 5.448 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.246 13.638 4.109 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.363 12.441 2.835 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -4.891 13.842 4.398 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.826 12.417 4.375 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.679 12.914 2.894 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.372 12.435 4.230 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.504 10.889 4.380 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.385 12.105 5.674 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.918 10.795 1.507 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.981 10.794 0.048 1.00 0.18 C ATOM 1242 C GLU B 21 -5.557 9.480 -0.458 1.00 0.14 C ATOM 1243 O GLU B 21 -6.352 9.461 -1.391 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.579 10.961 -0.519 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.673 11.799 0.363 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.478 13.205 -0.167 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -3.356 14.060 0.079 1.00 0.98 O ATOM 1248 OE2 GLU B 21 -1.454 13.460 -0.832 1.00 1.23 O ATOM 0 H GLU B 21 -3.987 10.981 1.881 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.621 11.616 -0.273 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.131 9.977 -0.658 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.645 11.423 -1.504 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -3.095 11.849 1.367 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.703 11.310 0.449 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.167 8.385 0.192 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.637 7.061 -0.179 1.00 0.13 C ATOM 1257 C LEU B 22 -7.098 6.931 0.185 1.00 0.14 C ATOM 1258 O LEU B 22 -7.905 6.412 -0.587 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.808 5.974 0.526 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.558 4.677 0.851 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.697 3.464 0.548 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.977 4.668 2.315 1.00 0.21 C ATOM 0 H LEU B 22 -4.522 8.394 0.983 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.519 6.928 -1.254 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.952 5.730 -0.103 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.414 6.387 1.454 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.449 4.630 0.224 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.251 2.556 0.787 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.433 3.460 -0.509 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.788 3.503 1.149 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.509 3.743 2.536 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -5.092 4.737 2.947 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.631 5.518 2.512 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.426 7.411 1.375 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.804 7.432 1.843 1.00 0.19 C ATOM 1276 C ARG B 23 -9.706 8.149 0.847 1.00 0.20 C ATOM 1277 O ARG B 23 -10.720 7.602 0.409 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.862 8.137 3.196 1.00 0.24 C ATOM 1279 CG ARG B 23 -7.936 7.530 4.235 1.00 0.28 C ATOM 1280 CD ARG B 23 -7.791 8.429 5.451 1.00 0.52 C ATOM 1281 NE ARG B 23 -9.082 8.819 6.015 1.00 0.83 N ATOM 1282 CZ ARG B 23 -9.361 8.786 7.313 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -8.454 8.361 8.176 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -10.548 9.178 7.746 1.00 1.75 N ATOM 0 H ARG B 23 -6.752 7.794 2.038 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.158 6.406 1.943 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.605 9.188 3.061 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -9.885 8.105 3.570 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.323 6.559 4.544 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -6.955 7.356 3.792 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -7.206 7.913 6.213 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.234 9.324 5.173 1.00 0.52 H new ATOM 0 HE ARG B 23 -9.811 9.135 5.375 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -7.538 8.058 7.845 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -8.670 8.336 9.173 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -11.250 9.506 7.083 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -10.761 9.152 8.743 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.318 9.379 0.526 1.00 0.21 N ATOM 1299 CA ARG B 24 -10.020 10.214 -0.446 1.00 0.23 C ATOM 1300 C ARG B 24 -10.099 9.539 -1.806 1.00 0.22 C ATOM 1301 O ARG B 24 -11.161 9.502 -2.425 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.307 11.558 -0.597 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.155 12.322 0.697 1.00 0.28 C ATOM 1304 CD ARG B 24 -8.190 13.480 0.524 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.717 14.511 -0.368 1.00 0.48 N ATOM 1306 CZ ARG B 24 -8.068 15.631 -0.680 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -6.851 15.860 -0.196 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -8.638 16.516 -1.484 1.00 1.00 N ATOM 0 H ARG B 24 -8.500 9.830 0.936 1.00 0.21 H new ATOM 0 HA ARG B 24 -11.033 10.368 -0.075 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.319 11.387 -1.024 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.860 12.173 -1.307 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.126 12.696 1.021 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.794 11.654 1.479 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.975 13.920 1.498 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.246 13.107 0.127 1.00 0.32 H new ATOM 0 HE ARG B 24 -9.640 14.363 -0.777 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -6.409 15.176 0.418 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -6.359 16.720 -0.439 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -9.569 16.338 -1.860 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -8.146 17.376 -1.727 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.954 9.060 -2.284 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.873 8.328 -3.543 1.00 0.22 C ATOM 1324 C ALA B 25 -9.919 7.230 -3.624 1.00 0.23 C ATOM 1325 O ALA B 25 -10.664 7.135 -4.599 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.491 7.708 -3.682 1.00 0.22 C ATOM 0 H ALA B 25 -8.058 9.168 -1.810 1.00 0.21 H new ATOM 0 HA ALA B 25 -9.058 9.035 -4.351 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.431 7.161 -4.623 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.737 8.495 -3.670 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.314 7.023 -2.852 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.974 6.407 -2.589 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.851 5.254 -2.588 1.00 0.28 C ATOM 1334 C LEU B 26 -12.199 5.594 -1.952 1.00 0.30 C ATOM 1335 O LEU B 26 -13.048 6.226 -2.584 1.00 0.37 O ATOM 1336 CB LEU B 26 -10.192 4.086 -1.853 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.767 3.748 -2.299 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -8.201 2.604 -1.471 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.739 3.394 -3.775 1.00 0.35 C ATOM 0 H LEU B 26 -9.420 6.519 -1.740 1.00 0.24 H new ATOM 0 HA LEU B 26 -11.029 4.960 -3.622 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.177 4.312 -0.787 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.814 3.200 -1.982 1.00 0.27 H new ATOM 0 HG LEU B 26 -8.144 4.629 -2.141 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -7.188 2.380 -1.805 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.182 2.891 -0.420 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.827 1.721 -1.595 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.718 3.157 -4.073 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -9.379 2.530 -3.954 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -9.100 4.240 -4.359 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.375 5.200 -0.693 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.635 5.404 0.024 1.00 0.36 C ATOM 1353 C ASP B 27 -13.411 5.359 1.527 1.00 0.42 C ATOM 1354 O ASP B 27 -14.369 5.298 2.296 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.653 4.308 -0.323 1.00 0.45 C ATOM 1356 CG ASP B 27 -15.353 4.507 -1.649 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.238 5.388 -1.734 1.00 1.77 O ATOM 1358 OD2 ASP B 27 -15.064 3.751 -2.596 1.00 1.57 O ATOM 0 H ASP B 27 -11.654 4.733 -0.142 1.00 0.32 H new ATOM 0 HA ASP B 27 -14.016 6.380 -0.278 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.143 3.345 -0.336 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -15.403 4.261 0.467 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.150 5.424 1.946 1.00 0.28 N ATOM 1364 CA ILE B 28 -11.787 5.061 3.320 1.00 0.29 C ATOM 1365 C ILE B 28 -12.432 5.998 4.326 1.00 0.32 C ATOM 1366 O ILE B 28 -12.219 7.212 4.293 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.250 5.026 3.562 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.584 3.823 2.878 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -9.949 4.974 5.057 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -9.932 3.657 1.425 1.00 0.28 C ATOM 0 H ILE B 28 -11.367 5.721 1.364 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.166 4.049 3.463 1.00 0.29 H new ATOM 0 HB ILE B 28 -9.841 5.938 3.127 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.502 3.923 2.970 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -9.867 2.916 3.412 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -8.870 4.950 5.210 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.365 5.857 5.543 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.397 4.078 5.487 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.417 2.784 1.025 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.009 3.522 1.322 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.623 4.545 0.873 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.224 5.421 5.212 1.00 0.38 N ATOM 1383 CA ALA B 29 -13.910 6.182 6.236 1.00 0.40 C ATOM 1384 C ALA B 29 -13.123 6.158 7.535 1.00 0.39 C ATOM 1385 O ALA B 29 -12.935 7.189 8.183 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.308 5.623 6.437 1.00 0.39 C ATOM 0 H ALA B 29 -13.408 4.418 5.241 1.00 0.38 H new ATOM 0 HA ALA B 29 -13.991 7.221 5.915 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -15.822 6.197 7.208 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -15.865 5.691 5.502 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.242 4.580 6.745 1.00 0.39 H new ATOM 1392 N ILE B 30 -12.671 4.971 7.904 1.00 0.35 N ATOM 1393 CA ILE B 30 -11.843 4.790 9.088 1.00 0.36 C ATOM 1394 C ILE B 30 -11.121 3.446 9.009 1.00 0.37 C ATOM 1395 O ILE B 30 -9.981 3.326 9.439 1.00 0.47 O ATOM 1396 CB ILE B 30 -12.681 4.925 10.395 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -11.789 4.939 11.649 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -13.737 3.829 10.496 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.430 3.573 12.195 1.00 0.39 C ATOM 0 H ILE B 30 -12.866 4.109 7.395 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.094 5.581 9.119 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.194 5.885 10.344 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -10.868 5.474 11.415 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.296 5.504 12.431 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.303 3.953 11.419 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.413 3.896 9.644 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.250 2.854 10.497 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -10.800 3.688 13.077 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.341 3.039 12.466 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -10.890 3.008 11.435 1.00 0.39 H new ATOM 1411 N LYS B 31 -11.786 2.443 8.439 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.156 1.150 8.186 1.00 0.37 C ATOM 1413 C LYS B 31 -11.346 0.759 6.724 1.00 0.36 C ATOM 1414 O LYS B 31 -10.412 0.313 6.057 1.00 0.52 O ATOM 1415 CB LYS B 31 -11.740 0.064 9.097 1.00 0.40 C ATOM 1416 CG LYS B 31 -11.712 0.422 10.575 1.00 0.41 C ATOM 1417 CD LYS B 31 -11.816 -0.812 11.458 1.00 0.32 C ATOM 1418 CE LYS B 31 -10.550 -1.653 11.378 1.00 0.33 C ATOM 1419 NZ LYS B 31 -10.639 -2.882 12.208 1.00 0.39 N ATOM 0 H LYS B 31 -12.761 2.501 8.144 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.092 1.240 8.403 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -12.770 -0.131 8.800 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.184 -0.861 8.946 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -10.789 0.955 10.802 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.535 1.100 10.800 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -11.991 -0.510 12.491 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -12.674 -1.411 11.152 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -10.365 -1.930 10.340 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -9.698 -1.057 11.705 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -9.755 -3.423 12.123 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -10.789 -2.619 13.203 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -11.435 -3.465 11.880 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.570 0.947 6.250 1.00 0.24 N ATOM 1434 CA ASP B 32 -12.959 0.699 4.861 1.00 0.23 C ATOM 1435 C ASP B 32 -12.547 -0.685 4.353 1.00 0.34 C ATOM 1436 O ASP B 32 -13.113 -1.688 4.781 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.419 1.786 3.939 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.411 2.123 2.858 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.557 2.489 3.188 1.00 1.83 O ATOM 1440 OD2 ASP B 32 -13.069 1.974 1.680 1.00 1.79 O ATOM 0 H ASP B 32 -13.339 1.283 6.829 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.049 0.725 4.846 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.192 2.680 4.520 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.484 1.453 3.488 1.00 0.26 H new ATOM 1445 N SER B 33 -11.532 -0.734 3.479 1.00 0.23 N ATOM 1446 CA SER B 33 -11.157 -1.942 2.729 1.00 0.17 C ATOM 1447 C SER B 33 -10.013 -1.604 1.781 1.00 0.17 C ATOM 1448 O SER B 33 -10.185 -0.764 0.899 1.00 0.24 O ATOM 1449 CB SER B 33 -12.298 -2.461 1.844 1.00 0.18 C ATOM 1450 OG SER B 33 -13.447 -2.838 2.581 1.00 0.22 O ATOM 0 H SER B 33 -10.942 0.072 3.270 1.00 0.23 H new ATOM 0 HA SER B 33 -10.891 -2.698 3.468 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.572 -1.689 1.125 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.944 -3.318 1.271 1.00 0.18 H new ATOM 0 HG SER B 33 -13.281 -2.702 3.537 1.00 0.22 H new ATOM 1456 N ILE B 34 -8.859 -2.231 1.938 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.795 -2.043 0.963 1.00 0.16 C ATOM 1458 C ILE B 34 -7.166 -3.376 0.588 1.00 0.14 C ATOM 1459 O ILE B 34 -6.571 -4.045 1.423 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.672 -1.086 1.433 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.171 -0.036 2.432 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -6.073 -0.386 0.228 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.190 -0.523 3.863 1.00 0.40 C ATOM 0 H ILE B 34 -8.637 -2.859 2.710 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.278 -1.583 0.101 1.00 0.16 H new ATOM 0 HB ILE B 34 -5.922 -1.690 1.943 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.535 0.847 2.366 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.177 0.273 2.149 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -5.282 0.289 0.555 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.658 -1.128 -0.455 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.848 0.185 -0.284 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -7.554 0.272 4.513 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -7.848 -1.388 3.944 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.181 -0.805 4.165 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.285 -3.733 -0.675 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.794 -5.006 -1.172 1.00 0.13 C ATOM 1477 C GLU B 35 -5.596 -4.756 -2.083 1.00 0.12 C ATOM 1478 O GLU B 35 -5.656 -3.882 -2.955 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.910 -5.727 -1.932 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.508 -7.083 -2.483 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.559 -7.659 -3.405 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -8.633 -7.211 -4.566 1.00 1.21 O ATOM 1483 OE2 GLU B 35 -9.310 -8.552 -2.976 1.00 1.24 O ATOM 0 H GLU B 35 -7.725 -3.150 -1.387 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.482 -5.637 -0.340 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.764 -5.856 -1.267 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.241 -5.095 -2.756 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.566 -6.989 -3.023 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.335 -7.772 -1.657 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.507 -5.496 -1.898 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.284 -5.175 -2.643 1.00 0.11 C ATOM 1492 C PHE B 36 -2.778 -6.285 -3.567 1.00 0.13 C ATOM 1493 O PHE B 36 -3.053 -7.475 -3.398 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.143 -4.678 -1.742 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.294 -4.970 -0.277 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.231 -4.291 0.488 1.00 1.14 C ATOM 1497 CD2 PHE B 36 -1.479 -5.897 0.340 1.00 1.22 C ATOM 1498 CE1 PHE B 36 -3.351 -4.538 1.837 1.00 1.13 C ATOM 1499 CE2 PHE B 36 -1.598 -6.149 1.690 1.00 1.29 C ATOM 1500 CZ PHE B 36 -2.534 -5.468 2.438 1.00 0.37 C ATOM 0 H PHE B 36 -4.439 -6.293 -1.265 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.600 -4.357 -3.290 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.211 -5.125 -2.088 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -2.047 -3.600 -1.871 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.874 -3.560 0.020 1.00 1.14 H new ATOM 0 HD2 PHE B 36 -0.741 -6.430 -0.240 1.00 1.22 H new ATOM 0 HE1 PHE B 36 -4.085 -4.003 2.422 1.00 1.13 H new ATOM 0 HE2 PHE B 36 -0.958 -6.880 2.161 1.00 1.29 H new ATOM 0 HZ PHE B 36 -2.626 -5.664 3.496 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.041 -5.811 -4.566 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.460 -6.597 -5.649 1.00 0.17 C ATOM 1512 C PHE B 37 0.018 -6.248 -5.725 1.00 0.15 C ATOM 1513 O PHE B 37 0.417 -5.185 -5.269 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.193 -6.198 -6.946 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.794 -6.920 -8.208 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.696 -6.507 -8.949 1.00 1.17 C ATOM 1517 CD2 PHE B 37 -2.546 -7.986 -8.674 1.00 1.22 C ATOM 1518 CE1 PHE B 37 -0.353 -7.149 -10.124 1.00 1.21 C ATOM 1519 CE2 PHE B 37 -2.206 -8.635 -9.847 1.00 1.22 C ATOM 1520 CZ PHE B 37 -1.108 -8.214 -10.572 1.00 0.36 C ATOM 0 H PHE B 37 -1.822 -4.818 -4.646 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.563 -7.671 -5.494 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.261 -6.350 -6.792 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -2.043 -5.130 -7.105 1.00 0.21 H new ATOM 0 HD1 PHE B 37 -0.102 -5.674 -8.603 1.00 1.17 H new ATOM 0 HD2 PHE B 37 -3.409 -8.315 -8.114 1.00 1.22 H new ATOM 0 HE1 PHE B 37 0.505 -6.818 -10.691 1.00 1.21 H new ATOM 0 HE2 PHE B 37 -2.797 -9.469 -10.195 1.00 1.22 H new ATOM 0 HZ PHE B 37 -0.841 -8.718 -11.489 1.00 0.36 H new ATOM 1530 N VAL B 38 0.824 -7.133 -6.263 1.00 0.18 N ATOM 1531 CA VAL B 38 2.239 -6.842 -6.427 1.00 0.18 C ATOM 1532 C VAL B 38 2.671 -7.071 -7.869 1.00 0.24 C ATOM 1533 O VAL B 38 2.335 -8.081 -8.488 1.00 0.30 O ATOM 1534 CB VAL B 38 3.125 -7.655 -5.452 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.887 -9.148 -5.584 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.596 -7.333 -5.660 1.00 0.25 C ATOM 0 H VAL B 38 0.534 -8.053 -6.593 1.00 0.18 H new ATOM 0 HA VAL B 38 2.380 -5.789 -6.181 1.00 0.18 H new ATOM 0 HB VAL B 38 2.842 -7.363 -4.441 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.528 -9.682 -4.883 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.843 -9.371 -5.363 1.00 0.34 H new ATOM 0 HG13 VAL B 38 3.119 -9.465 -6.601 1.00 0.34 H new ATOM 0 HG21 VAL B 38 5.198 -7.916 -4.964 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.882 -7.581 -6.682 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.764 -6.271 -5.483 1.00 0.25 H new ATOM 1546 N ASP B 39 3.395 -6.109 -8.402 1.00 0.27 N ATOM 1547 CA ASP B 39 3.823 -6.150 -9.791 1.00 0.34 C ATOM 1548 C ASP B 39 5.329 -5.964 -9.876 1.00 0.35 C ATOM 1549 O ASP B 39 5.821 -4.837 -9.883 1.00 0.30 O ATOM 1550 CB ASP B 39 3.099 -5.059 -10.590 1.00 0.35 C ATOM 1551 CG ASP B 39 3.536 -4.985 -12.041 1.00 0.52 C ATOM 1552 OD1 ASP B 39 3.154 -5.871 -12.830 1.00 1.35 O ATOM 1553 OD2 ASP B 39 4.229 -4.013 -12.408 1.00 1.08 O ATOM 0 H ASP B 39 3.703 -5.281 -7.892 1.00 0.27 H new ATOM 0 HA ASP B 39 3.570 -7.121 -10.217 1.00 0.34 H new ATOM 0 HB2 ASP B 39 2.025 -5.242 -10.550 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.275 -4.094 -10.115 1.00 0.35 H new ATOM 1558 N GLY B 40 6.051 -7.078 -9.901 1.00 0.43 N ATOM 1559 CA GLY B 40 7.501 -7.043 -9.994 1.00 0.48 C ATOM 1560 C GLY B 40 8.156 -6.456 -8.757 1.00 0.42 C ATOM 1561 O GLY B 40 8.569 -7.184 -7.854 1.00 0.47 O ATOM 0 H GLY B 40 5.653 -8.016 -9.858 1.00 0.43 H new ATOM 0 HA2 GLY B 40 7.875 -8.055 -10.152 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.790 -6.456 -10.866 1.00 0.48 H new ATOM 1565 N ASP B 41 8.252 -5.136 -8.732 1.00 0.34 N ATOM 1566 CA ASP B 41 8.831 -4.410 -7.612 1.00 0.31 C ATOM 1567 C ASP B 41 7.857 -3.332 -7.170 1.00 0.22 C ATOM 1568 O ASP B 41 8.242 -2.332 -6.563 1.00 0.26 O ATOM 1569 CB ASP B 41 10.155 -3.751 -8.017 1.00 0.38 C ATOM 1570 CG ASP B 41 11.193 -4.733 -8.513 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.189 -5.050 -9.721 1.00 1.74 O ATOM 1572 OD2 ASP B 41 12.030 -5.171 -7.708 1.00 1.81 O ATOM 0 H ASP B 41 7.929 -4.536 -9.491 1.00 0.34 H new ATOM 0 HA ASP B 41 9.023 -5.111 -6.800 1.00 0.31 H new ATOM 0 HB2 ASP B 41 9.961 -3.015 -8.797 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.559 -3.210 -7.161 1.00 0.38 H new ATOM 1577 N LYS B 42 6.592 -3.537 -7.500 1.00 0.18 N ATOM 1578 CA LYS B 42 5.557 -2.558 -7.237 1.00 0.13 C ATOM 1579 C LYS B 42 4.425 -3.166 -6.414 1.00 0.11 C ATOM 1580 O LYS B 42 4.204 -4.371 -6.443 1.00 0.15 O ATOM 1581 CB LYS B 42 5.009 -2.043 -8.569 1.00 0.12 C ATOM 1582 CG LYS B 42 3.661 -1.355 -8.457 1.00 0.14 C ATOM 1583 CD LYS B 42 3.089 -1.007 -9.824 1.00 0.33 C ATOM 1584 CE LYS B 42 4.080 -0.229 -10.678 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.589 -0.044 -12.071 1.00 0.55 N ATOM 0 H LYS B 42 6.257 -4.386 -7.956 1.00 0.18 H new ATOM 0 HA LYS B 42 5.987 -1.736 -6.665 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.727 -1.345 -9.000 1.00 0.12 H new ATOM 0 HB3 LYS B 42 4.922 -2.880 -9.262 1.00 0.12 H new ATOM 0 HG2 LYS B 42 2.965 -2.004 -7.926 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.765 -0.446 -7.864 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.806 -1.923 -10.342 1.00 0.33 H new ATOM 0 HD3 LYS B 42 2.180 -0.419 -9.697 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.262 0.746 -10.225 1.00 0.75 H new ATOM 0 HE3 LYS B 42 5.034 -0.755 -10.697 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 4.293 0.490 -12.619 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 3.439 -0.974 -12.513 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 2.691 0.481 -12.056 1.00 0.55 H new ATOM 1599 N ILE B 43 3.710 -2.314 -5.701 1.00 0.09 N ATOM 1600 CA ILE B 43 2.534 -2.724 -4.948 1.00 0.08 C ATOM 1601 C ILE B 43 1.334 -1.916 -5.437 1.00 0.06 C ATOM 1602 O ILE B 43 1.479 -0.756 -5.818 1.00 0.07 O ATOM 1603 CB ILE B 43 2.746 -2.516 -3.429 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.904 -3.384 -2.912 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.473 -2.797 -2.650 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.602 -4.870 -2.877 1.00 0.22 C ATOM 0 H ILE B 43 3.926 -1.320 -5.627 1.00 0.09 H new ATOM 0 HA ILE B 43 2.355 -3.787 -5.110 1.00 0.08 H new ATOM 0 HB ILE B 43 3.008 -1.470 -3.273 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.777 -3.217 -3.543 1.00 0.15 H new ATOM 0 HG13 ILE B 43 4.169 -3.055 -1.907 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.655 -2.642 -1.587 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.685 -2.123 -2.985 1.00 0.10 H new ATOM 0 HG23 ILE B 43 1.164 -3.829 -2.818 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.471 -5.409 -2.500 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.750 -5.053 -2.223 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.368 -5.217 -3.883 1.00 0.22 H new ATOM 1618 N ILE B 44 0.168 -2.539 -5.461 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.038 -1.914 -5.996 1.00 0.08 C ATOM 1620 C ILE B 44 -2.208 -2.089 -5.035 1.00 0.10 C ATOM 1621 O ILE B 44 -2.507 -3.204 -4.631 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.420 -2.536 -7.357 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.246 -2.429 -8.334 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.668 -1.868 -7.920 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.536 -2.994 -9.710 1.00 0.14 C ATOM 0 H ILE B 44 0.027 -3.487 -5.113 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.826 -0.853 -6.126 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.646 -3.592 -7.210 1.00 0.11 H new ATOM 0 HG12 ILE B 44 0.035 -1.381 -8.435 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.613 -2.950 -7.912 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -2.921 -2.320 -8.879 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.497 -2.002 -7.225 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.480 -0.803 -8.059 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.344 -2.881 -10.343 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -0.787 -4.051 -9.624 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.374 -2.457 -10.155 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.897 -1.009 -4.689 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.976 -1.093 -3.717 1.00 0.09 C ATOM 1639 C LEU B 45 -5.294 -0.632 -4.320 1.00 0.12 C ATOM 1640 O LEU B 45 -5.320 0.229 -5.202 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.666 -0.275 -2.457 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.738 -0.946 -1.436 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.321 -1.055 -1.959 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.748 -0.184 -0.128 1.00 0.26 C ATOM 0 H LEU B 45 -2.730 -0.075 -5.063 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.067 -2.141 -3.432 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.217 0.670 -2.762 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.607 -0.035 -1.962 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.114 -1.955 -1.266 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.692 -1.535 -1.209 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.315 -1.650 -2.872 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.934 -0.059 -2.173 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -2.084 -0.675 0.584 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.406 0.837 -0.299 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.761 -0.165 0.274 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.375 -1.233 -3.843 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.727 -0.911 -4.288 1.00 0.19 C ATOM 1658 C LYS B 46 -8.693 -1.060 -3.127 1.00 0.19 C ATOM 1659 O LYS B 46 -8.443 -1.840 -2.213 1.00 0.34 O ATOM 1660 CB LYS B 46 -8.154 -1.872 -5.403 1.00 0.40 C ATOM 1661 CG LYS B 46 -7.916 -3.330 -5.033 1.00 0.92 C ATOM 1662 CD LYS B 46 -8.594 -4.306 -5.982 1.00 0.98 C ATOM 1663 CE LYS B 46 -10.028 -4.604 -5.570 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.443 -5.974 -5.986 1.00 1.20 N ATOM 0 H LYS B 46 -6.340 -1.963 -3.131 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.739 0.114 -4.659 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -9.211 -1.723 -5.622 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.603 -1.636 -6.313 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -6.844 -3.526 -5.025 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -8.280 -3.505 -4.020 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -8.586 -3.894 -6.991 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -8.026 -5.236 -6.012 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -10.125 -4.506 -4.489 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.696 -3.869 -6.018 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -11.425 -6.144 -5.690 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -10.374 -6.059 -7.020 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -9.820 -6.676 -5.539 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.784 -0.318 -3.148 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.870 -0.587 -2.221 1.00 0.18 C ATOM 1680 C LYS B 47 -11.602 -1.827 -2.723 1.00 0.21 C ATOM 1681 O LYS B 47 -11.812 -1.983 -3.928 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.823 0.613 -2.104 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.708 0.620 -0.849 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.788 -0.447 -0.904 1.00 0.32 C ATOM 1685 CE LYS B 47 -15.019 -0.075 -0.097 1.00 0.42 C ATOM 1686 NZ LYS B 47 -14.750 -0.039 1.357 1.00 0.76 N ATOM 0 H LYS B 47 -9.942 0.463 -3.785 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.474 -0.759 -1.220 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.233 1.529 -2.119 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.466 0.634 -2.984 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -12.087 0.461 0.033 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -13.173 1.600 -0.739 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.076 -0.614 -1.942 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.384 -1.388 -0.530 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.381 0.901 -0.421 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -15.813 -0.793 -0.299 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -15.542 0.426 1.845 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.645 -1.010 1.715 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -13.874 0.492 1.535 1.00 0.76 H new ATOM 1700 N TYR B 48 -11.976 -2.699 -1.802 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.514 -4.005 -2.146 1.00 0.25 C ATOM 1702 C TYR B 48 -13.808 -3.891 -2.958 1.00 0.35 C ATOM 1703 O TYR B 48 -13.865 -4.315 -4.106 1.00 0.38 O ATOM 1704 CB TYR B 48 -12.761 -4.799 -0.861 1.00 0.33 C ATOM 1705 CG TYR B 48 -12.924 -6.287 -1.068 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -11.816 -7.122 -1.102 1.00 1.30 C ATOM 1707 CD2 TYR B 48 -14.181 -6.858 -1.216 1.00 1.05 C ATOM 1708 CE1 TYR B 48 -11.954 -8.484 -1.276 1.00 1.37 C ATOM 1709 CE2 TYR B 48 -14.326 -8.219 -1.394 1.00 1.08 C ATOM 1710 CZ TYR B 48 -13.209 -9.027 -1.421 1.00 0.63 C ATOM 1711 OH TYR B 48 -13.350 -10.386 -1.582 1.00 0.76 O ATOM 0 H TYR B 48 -11.916 -2.523 -0.799 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.787 -4.524 -2.770 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -11.929 -4.629 -0.178 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.657 -4.412 -0.376 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -10.829 -6.699 -0.990 1.00 1.30 H new ATOM 0 HD2 TYR B 48 -15.058 -6.228 -1.191 1.00 1.05 H new ATOM 0 HE1 TYR B 48 -11.081 -9.120 -1.298 1.00 1.37 H new ATOM 0 HE2 TYR B 48 -15.310 -8.649 -1.512 1.00 1.08 H new ATOM 0 HH TYR B 48 -14.300 -10.608 -1.670 1.00 0.76 H new ATOM 1721 N LYS B 49 -14.823 -3.277 -2.360 1.00 0.47 N ATOM 1722 CA LYS B 49 -16.178 -3.283 -2.912 1.00 0.65 C ATOM 1723 C LYS B 49 -16.265 -2.765 -4.363 1.00 0.73 C ATOM 1724 O LYS B 49 -16.677 -3.514 -5.249 1.00 0.85 O ATOM 1725 CB LYS B 49 -17.113 -2.483 -2.005 1.00 0.75 C ATOM 1726 CG LYS B 49 -18.582 -2.812 -2.212 1.00 1.04 C ATOM 1727 CD LYS B 49 -19.470 -2.038 -1.255 1.00 1.62 C ATOM 1728 CE LYS B 49 -20.906 -2.532 -1.316 1.00 2.34 C ATOM 1729 NZ LYS B 49 -21.018 -3.956 -0.901 1.00 3.00 N ATOM 0 H LYS B 49 -14.734 -2.763 -1.484 1.00 0.47 H new ATOM 0 HA LYS B 49 -16.490 -4.327 -2.949 1.00 0.65 H new ATOM 0 HB2 LYS B 49 -16.849 -2.673 -0.965 1.00 0.75 H new ATOM 0 HB3 LYS B 49 -16.958 -1.419 -2.184 1.00 0.75 H new ATOM 0 HG2 LYS B 49 -18.866 -2.581 -3.239 1.00 1.04 H new ATOM 0 HG3 LYS B 49 -18.739 -3.881 -2.070 1.00 1.04 H new ATOM 0 HD2 LYS B 49 -19.090 -2.141 -0.239 1.00 1.62 H new ATOM 0 HD3 LYS B 49 -19.437 -0.977 -1.502 1.00 1.62 H new ATOM 0 HE2 LYS B 49 -21.530 -1.915 -0.670 1.00 2.34 H new ATOM 0 HE3 LYS B 49 -21.287 -2.418 -2.331 1.00 2.34 H new ATOM 0 HZ1 LYS B 49 -21.997 -4.158 -0.613 1.00 3.00 H new ATOM 0 HZ2 LYS B 49 -20.758 -4.571 -1.698 1.00 3.00 H new ATOM 0 HZ3 LYS B 49 -20.378 -4.136 -0.102 1.00 3.00 H new ATOM 1743 N PRO B 50 -15.884 -1.493 -4.646 1.00 0.72 N ATOM 1744 CA PRO B 50 -16.100 -0.881 -5.967 1.00 0.88 C ATOM 1745 C PRO B 50 -15.361 -1.598 -7.093 1.00 0.96 C ATOM 1746 O PRO B 50 -15.841 -1.650 -8.223 1.00 1.49 O ATOM 1747 CB PRO B 50 -15.556 0.545 -5.809 1.00 0.94 C ATOM 1748 CG PRO B 50 -15.522 0.782 -4.342 1.00 0.92 C ATOM 1749 CD PRO B 50 -15.220 -0.551 -3.731 1.00 0.62 C ATOM 0 HA PRO B 50 -17.152 -0.928 -6.247 1.00 0.88 H new ATOM 0 HB2 PRO B 50 -14.563 0.640 -6.247 1.00 0.94 H new ATOM 0 HB3 PRO B 50 -16.196 1.270 -6.311 1.00 0.94 H new ATOM 0 HG2 PRO B 50 -14.760 1.516 -4.080 1.00 0.92 H new ATOM 0 HG3 PRO B 50 -16.475 1.171 -3.985 1.00 0.92 H new ATOM 0 HD2 PRO B 50 -14.147 -0.734 -3.672 1.00 0.62 H new ATOM 0 HD3 PRO B 50 -15.613 -0.629 -2.717 1.00 0.62 H new ATOM 1757 N HIS B 51 -14.199 -2.155 -6.787 1.00 1.41 N ATOM 1758 CA HIS B 51 -13.389 -2.796 -7.814 1.00 1.55 C ATOM 1759 C HIS B 51 -13.592 -4.309 -7.785 1.00 1.83 C ATOM 1760 O HIS B 51 -12.876 -5.054 -8.456 1.00 2.39 O ATOM 1761 CB HIS B 51 -11.909 -2.454 -7.628 1.00 2.03 C ATOM 1762 CG HIS B 51 -11.153 -2.323 -8.917 1.00 2.93 C ATOM 1763 ND1 HIS B 51 -10.905 -3.380 -9.768 1.00 3.73 N ATOM 1764 CD2 HIS B 51 -10.592 -1.237 -9.500 1.00 3.63 C ATOM 1765 CE1 HIS B 51 -10.225 -2.948 -10.814 1.00 4.57 C ATOM 1766 NE2 HIS B 51 -10.023 -1.652 -10.678 1.00 4.53 N ATOM 0 H HIS B 51 -13.799 -2.177 -5.849 1.00 1.41 H new ATOM 0 HA HIS B 51 -13.709 -2.420 -8.786 1.00 1.55 H new ATOM 0 HB2 HIS B 51 -11.828 -1.519 -7.073 1.00 2.03 H new ATOM 0 HB3 HIS B 51 -11.440 -3.227 -7.019 1.00 2.03 H new ATOM 0 HD1 HIS B 51 -11.201 -4.344 -9.613 1.00 3.73 H new ATOM 0 HD2 HIS B 51 -10.592 -0.230 -9.110 1.00 3.63 H new ATOM 0 HE1 HIS B 51 -9.890 -3.555 -11.642 1.00 4.57 H new ATOM 1775 N GLY B 52 -14.564 -4.748 -6.996 1.00 2.12 N ATOM 1776 CA GLY B 52 -14.920 -6.155 -6.950 1.00 2.80 C ATOM 1777 C GLY B 52 -13.899 -7.006 -6.229 1.00 2.86 C ATOM 1778 O GLY B 52 -13.048 -6.496 -5.497 1.00 3.07 O ATOM 0 H GLY B 52 -15.117 -4.150 -6.382 1.00 2.12 H new ATOM 0 HA2 GLY B 52 -15.886 -6.262 -6.457 1.00 2.80 H new ATOM 0 HA3 GLY B 52 -15.039 -6.526 -7.968 1.00 2.80 H new ATOM 1782 N VAL B 53 -13.972 -8.307 -6.451 1.00 3.08 N ATOM 1783 CA VAL B 53 -13.077 -9.249 -5.799 1.00 3.27 C ATOM 1784 C VAL B 53 -11.707 -9.217 -6.470 1.00 2.62 C ATOM 1785 O VAL B 53 -11.532 -8.559 -7.499 1.00 2.40 O ATOM 1786 CB VAL B 53 -13.670 -10.681 -5.827 1.00 4.11 C ATOM 1787 CG1 VAL B 53 -13.603 -11.281 -7.224 1.00 4.23 C ATOM 1788 CG2 VAL B 53 -12.985 -11.582 -4.811 1.00 4.58 C ATOM 0 H VAL B 53 -14.647 -8.738 -7.083 1.00 3.08 H new ATOM 0 HA VAL B 53 -12.962 -8.956 -4.756 1.00 3.27 H new ATOM 0 HB VAL B 53 -14.721 -10.606 -5.549 1.00 4.11 H new ATOM 0 HG11 VAL B 53 -14.027 -12.285 -7.209 1.00 4.23 H new ATOM 0 HG12 VAL B 53 -14.170 -10.658 -7.915 1.00 4.23 H new ATOM 0 HG13 VAL B 53 -12.564 -11.330 -7.549 1.00 4.23 H new ATOM 0 HG21 VAL B 53 -13.423 -12.579 -4.855 1.00 4.58 H new ATOM 0 HG22 VAL B 53 -11.921 -11.643 -5.038 1.00 4.58 H new ATOM 0 HG23 VAL B 53 -13.120 -11.171 -3.811 1.00 4.58 H new ATOM 1798 N CYS B 54 -10.749 -9.871 -5.834 1.00 2.56 N ATOM 1799 CA CYS B 54 -9.400 -10.032 -6.355 1.00 1.99 C ATOM 1800 C CYS B 54 -9.392 -10.223 -7.868 1.00 2.09 C ATOM 1801 O CYS B 54 -8.926 -9.310 -8.587 1.00 2.54 O ATOM 1802 CB CYS B 54 -8.740 -11.242 -5.692 1.00 2.24 C ATOM 1803 SG CYS B 54 -8.837 -11.242 -3.886 1.00 3.21 S ATOM 1804 OXT CYS B 54 -9.849 -11.283 -8.337 1.00 2.48 O ATOM 0 H CYS B 54 -10.889 -10.313 -4.925 1.00 2.56 H new ATOM 0 HA CYS B 54 -8.846 -9.121 -6.128 1.00 1.99 H new ATOM 0 HB2 CYS B 54 -9.209 -12.150 -6.070 1.00 2.24 H new ATOM 0 HB3 CYS B 54 -7.692 -11.278 -5.988 1.00 2.24 H new ATOM 0 HG CYS B 54 -9.195 -10.063 -3.471 1.00 3.21 H new TER 1810 CYS B 54