USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1050 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot 125:sc= 1.2 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.96 K(o=2.2,f=-0.083) USER MOD Set 2.1: A 9 TYR OH : rot -113:sc= 0.394 USER MOD Set 2.2: A 29 LYS NZ :NH3+ -125:sc= 0.382 (180deg=-0.487) USER MOD Set 2.3: A 32 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0.412 (180deg=0.411) USER MOD Single : A 8 THR OG1 : rot 48:sc= 0.532 USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 0.806 (180deg=0.445) USER MOD Single : A 16 MET CE :methyl -173:sc= -0.247 (180deg=-0.355) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 1.07 (180deg=0.931) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0.498 (180deg=0.495) USER MOD Single : A 41 MET CE :methyl -159:sc= -1.63 (180deg=-2.81!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 70 MET CE :methyl -119:sc= -0.382 (180deg=-1.15) USER MOD Single : A 75 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -141:sc= -0.397 (180deg=-2.71!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -145:sc= 0.911 (180deg=-0.112) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -111:sc= -0.449 (180deg=-1.38) USER MOD Single : A 118 LYS NZ :NH3+ -154:sc= 0.0189 (180deg=-0.711) USER MOD Single : A 119 LYS NZ :NH3+ 158:sc= -0.875 (180deg=-1.74) USER MOD Single : A 120 TYR OH : rot 20:sc= 0.533 USER MOD Single : A 122 LYS NZ :NH3+ -139:sc= -1.17 (180deg=-3.14!) USER MOD Single : A 125 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0.701) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0.263 K(o=0.26,f=-0.72) USER MOD Single : A 136 TYR OH : rot 154:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 3.642 2.074 -3.382 1.00 0.00 N ATOM 30 CA LYS A 3 3.173 3.029 -4.419 1.00 0.00 C ATOM 31 C LYS A 3 2.629 4.361 -3.835 1.00 0.00 C ATOM 32 O LYS A 3 2.568 5.366 -4.555 1.00 0.00 O ATOM 33 CB LYS A 3 2.065 2.359 -5.271 1.00 0.00 C ATOM 34 CG LYS A 3 0.880 1.820 -4.434 1.00 0.00 C ATOM 35 CD LYS A 3 -0.323 1.362 -5.285 1.00 0.00 C ATOM 36 CE LYS A 3 -1.060 2.538 -5.960 1.00 0.00 C ATOM 37 NZ LYS A 3 -2.406 2.144 -6.448 1.00 0.00 N ATOM 0 HA LYS A 3 4.042 3.281 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.688 3.081 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.502 1.537 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.226 0.982 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.551 2.597 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.023 0.668 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.023 0.816 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.158 3.360 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.465 2.907 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.853 2.953 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.315 1.354 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.994 1.848 -5.643 1.00 0.00 H new ATOM 51 N ILE A 4 2.221 4.343 -2.535 1.00 0.00 N ATOM 52 CA ILE A 4 1.578 5.493 -1.838 1.00 0.00 C ATOM 53 C ILE A 4 0.178 5.777 -2.476 1.00 0.00 C ATOM 54 O ILE A 4 -0.335 4.922 -3.199 1.00 0.00 O ATOM 55 CB ILE A 4 2.556 6.765 -1.770 1.00 0.00 C ATOM 56 CG1 ILE A 4 3.979 6.331 -1.275 1.00 0.00 C ATOM 57 CG2 ILE A 4 2.034 7.915 -0.855 1.00 0.00 C ATOM 58 CD1 ILE A 4 4.010 5.682 0.103 1.00 0.00 C ATOM 0 H ILE A 4 2.330 3.524 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 4 1.396 5.240 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 4 2.599 7.157 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.402 5.634 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.626 7.208 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.749 8.738 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.072 8.268 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.916 7.545 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.036 5.417 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.622 6.381 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.394 4.783 0.096 1.00 0.00 H new ATOM 70 N VAL A 5 -0.503 6.855 -2.039 1.00 0.00 N ATOM 71 CA VAL A 5 -1.587 7.549 -2.788 1.00 0.00 C ATOM 72 C VAL A 5 -1.658 9.014 -2.303 1.00 0.00 C ATOM 73 O VAL A 5 -1.874 9.928 -3.100 1.00 0.00 O ATOM 74 CB VAL A 5 -3.036 6.896 -2.665 1.00 0.00 C ATOM 75 CG1 VAL A 5 -3.203 5.658 -3.589 1.00 0.00 C ATOM 76 CG2 VAL A 5 -3.389 6.552 -1.198 1.00 0.00 C ATOM 0 H VAL A 5 -0.315 7.284 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.320 7.463 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.745 7.650 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.206 5.248 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.053 5.956 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.467 4.901 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.384 6.109 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.660 5.843 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.372 7.461 -0.597 1.00 0.00 H new ATOM 86 N GLY A 6 -1.514 9.200 -0.971 1.00 0.00 N ATOM 87 CA GLY A 6 -1.552 10.514 -0.341 1.00 0.00 C ATOM 88 C GLY A 6 -1.109 10.494 1.115 1.00 0.00 C ATOM 89 O GLY A 6 -0.357 9.616 1.539 1.00 0.00 O ATOM 0 H GLY A 6 -1.369 8.434 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.911 11.196 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.566 10.909 -0.400 1.00 0.00 H new ATOM 93 N VAL A 7 -1.515 11.526 1.867 1.00 0.00 N ATOM 94 CA VAL A 7 -1.353 11.582 3.338 1.00 0.00 C ATOM 95 C VAL A 7 -2.729 11.877 3.984 1.00 0.00 C ATOM 96 O VAL A 7 -3.651 12.339 3.307 1.00 0.00 O ATOM 97 CB VAL A 7 -0.262 12.655 3.745 1.00 0.00 C ATOM 98 CG1 VAL A 7 -0.707 14.092 3.390 1.00 0.00 C ATOM 99 CG2 VAL A 7 0.159 12.542 5.238 1.00 0.00 C ATOM 0 H VAL A 7 -1.968 12.352 1.476 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.995 10.621 3.707 1.00 0.00 H new ATOM 0 HB VAL A 7 0.624 12.430 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.070 14.797 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.874 14.166 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.631 14.328 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.909 13.301 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.713 12.693 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.577 11.553 5.424 1.00 0.00 H new ATOM 109 N THR A 8 -2.877 11.569 5.280 1.00 0.00 N ATOM 110 CA THR A 8 -4.114 11.824 6.034 1.00 0.00 C ATOM 111 C THR A 8 -3.775 12.432 7.402 1.00 0.00 C ATOM 112 O THR A 8 -2.783 12.051 8.036 1.00 0.00 O ATOM 113 CB THR A 8 -4.999 10.524 6.184 1.00 0.00 C ATOM 114 OG1 THR A 8 -6.177 10.788 6.972 1.00 0.00 O ATOM 115 CG2 THR A 8 -4.232 9.348 6.803 1.00 0.00 C ATOM 0 H THR A 8 -2.141 11.135 5.837 1.00 0.00 H new ATOM 0 HA THR A 8 -4.712 12.539 5.469 1.00 0.00 H new ATOM 0 HB THR A 8 -5.287 10.240 5.172 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.614 11.602 6.644 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.892 8.484 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.379 9.098 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.880 9.626 7.796 1.00 0.00 H new ATOM 123 N TYR A 9 -4.579 13.419 7.822 1.00 0.00 N ATOM 124 CA TYR A 9 -4.427 14.114 9.116 1.00 0.00 C ATOM 125 C TYR A 9 -5.811 14.292 9.780 1.00 0.00 C ATOM 126 O TYR A 9 -6.794 14.547 9.082 1.00 0.00 O ATOM 127 CB TYR A 9 -3.736 15.512 8.935 1.00 0.00 C ATOM 128 CG TYR A 9 -2.194 15.514 8.998 1.00 0.00 C ATOM 129 CD1 TYR A 9 -1.402 15.242 7.873 1.00 0.00 C ATOM 130 CD2 TYR A 9 -1.531 15.811 10.194 1.00 0.00 C ATOM 131 CE1 TYR A 9 -0.019 15.266 7.945 1.00 0.00 C ATOM 132 CE2 TYR A 9 -0.153 15.837 10.264 1.00 0.00 C ATOM 133 CZ TYR A 9 0.597 15.563 9.143 1.00 0.00 C ATOM 134 OH TYR A 9 1.974 15.588 9.230 1.00 0.00 O ATOM 0 H TYR A 9 -5.364 13.764 7.269 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.790 13.504 9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.042 15.925 7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.113 16.185 9.706 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.880 15.009 6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.110 16.024 11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.574 15.053 7.068 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.336 16.072 11.198 1.00 0.00 H new ATOM 0 HH TYR A 9 2.279 14.853 9.801 1.00 0.00 H new ATOM 144 N PRO A 10 -5.901 14.152 11.145 1.00 0.00 N ATOM 145 CA PRO A 10 -7.106 14.545 11.912 1.00 0.00 C ATOM 146 C PRO A 10 -7.285 16.080 11.925 1.00 0.00 C ATOM 147 O PRO A 10 -8.415 16.582 11.879 1.00 0.00 O ATOM 148 CB PRO A 10 -6.823 14.000 13.340 1.00 0.00 C ATOM 149 CG PRO A 10 -5.331 13.925 13.424 1.00 0.00 C ATOM 150 CD PRO A 10 -4.864 13.561 12.033 1.00 0.00 C ATOM 0 HA PRO A 10 -8.027 14.150 11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.231 14.661 14.105 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.279 13.021 13.489 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.908 14.878 13.743 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.016 13.177 14.152 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.876 13.971 11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.795 12.481 11.904 1.00 0.00 H new ATOM 158 N ILE A 11 -6.124 16.789 11.974 1.00 0.00 N ATOM 159 CA ILE A 11 -6.020 18.252 12.092 1.00 0.00 C ATOM 160 C ILE A 11 -6.666 18.748 13.409 1.00 0.00 C ATOM 161 O ILE A 11 -7.899 18.821 13.514 1.00 0.00 O ATOM 162 CB ILE A 11 -6.588 19.024 10.832 1.00 0.00 C ATOM 163 CG1 ILE A 11 -5.856 18.535 9.540 1.00 0.00 C ATOM 164 CG2 ILE A 11 -6.462 20.568 11.002 1.00 0.00 C ATOM 165 CD1 ILE A 11 -6.311 19.186 8.250 1.00 0.00 C ATOM 0 H ILE A 11 -5.212 16.334 11.930 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.956 18.486 12.124 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.651 18.801 10.740 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.787 18.712 9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.993 17.457 9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.862 21.065 10.118 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.023 20.884 11.881 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.413 20.836 11.126 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.741 18.777 7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.372 18.988 8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.148 20.262 8.308 1.00 0.00 H new ATOM 177 N PRO A 12 -5.834 19.055 14.468 1.00 0.00 N ATOM 178 CA PRO A 12 -6.330 19.700 15.710 1.00 0.00 C ATOM 179 C PRO A 12 -6.745 21.167 15.458 1.00 0.00 C ATOM 180 O PRO A 12 -6.648 21.650 14.315 1.00 0.00 O ATOM 181 CB PRO A 12 -5.115 19.598 16.671 1.00 0.00 C ATOM 182 CG PRO A 12 -3.922 19.567 15.763 1.00 0.00 C ATOM 183 CD PRO A 12 -4.367 18.785 14.543 1.00 0.00 C ATOM 0 HA PRO A 12 -7.225 19.226 16.112 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.074 20.449 17.351 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.169 18.700 17.286 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.609 20.575 15.491 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.071 19.088 16.248 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.851 19.119 13.643 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.160 17.720 14.652 1.00 0.00 H new ATOM 191 N LYS A 13 -7.203 21.859 16.530 1.00 0.00 N ATOM 192 CA LYS A 13 -7.704 23.260 16.458 1.00 0.00 C ATOM 193 C LYS A 13 -9.043 23.301 15.646 1.00 0.00 C ATOM 194 O LYS A 13 -9.582 22.253 15.258 1.00 0.00 O ATOM 195 CB LYS A 13 -6.605 24.203 15.842 1.00 0.00 C ATOM 196 CG LYS A 13 -6.701 25.714 16.183 1.00 0.00 C ATOM 197 CD LYS A 13 -6.090 26.085 17.555 1.00 0.00 C ATOM 198 CE LYS A 13 -5.983 27.612 17.759 1.00 0.00 C ATOM 199 NZ LYS A 13 -5.331 27.971 19.047 1.00 0.00 N ATOM 0 H LYS A 13 -7.237 21.465 17.470 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.914 23.627 17.463 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.629 23.844 16.168 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.638 24.098 14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.196 26.285 15.404 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.749 26.014 16.169 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.701 25.657 18.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.099 25.640 17.641 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.416 28.046 16.935 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.980 28.050 17.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.919 28.923 18.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.038 27.957 19.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.580 27.284 19.259 1.00 0.00 H new ATOM 213 N ARG A 14 -9.595 24.507 15.421 1.00 0.00 N ATOM 214 CA ARG A 14 -10.840 24.702 14.624 1.00 0.00 C ATOM 215 C ARG A 14 -10.586 24.589 13.108 1.00 0.00 C ATOM 216 O ARG A 14 -11.524 24.453 12.311 1.00 0.00 O ATOM 217 CB ARG A 14 -11.408 26.107 14.906 1.00 0.00 C ATOM 218 CG ARG A 14 -11.684 26.404 16.384 1.00 0.00 C ATOM 219 CD ARG A 14 -12.120 27.856 16.588 1.00 0.00 C ATOM 220 NE ARG A 14 -13.400 28.158 15.907 1.00 0.00 N ATOM 221 CZ ARG A 14 -13.854 29.388 15.626 1.00 0.00 C ATOM 222 NH1 ARG A 14 -13.111 30.460 15.862 1.00 0.00 N ATOM 223 NH2 ARG A 14 -15.044 29.537 15.066 1.00 0.00 N ATOM 0 H ARG A 14 -9.200 25.376 15.781 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.539 23.919 14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.707 26.850 14.525 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.336 26.228 14.346 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -12.461 25.734 16.753 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.787 26.206 16.971 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.222 28.056 17.655 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.344 28.523 16.211 1.00 0.00 H new ATOM 0 HE ARG A 14 -13.982 27.368 15.630 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -12.179 30.356 16.263 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.471 31.389 15.642 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -15.612 28.718 14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.393 30.471 14.851 1.00 0.00 H new ATOM 237 N PHE A 15 -9.301 24.657 12.741 1.00 0.00 N ATOM 238 CA PHE A 15 -8.845 24.870 11.350 1.00 0.00 C ATOM 239 C PHE A 15 -8.997 23.639 10.434 1.00 0.00 C ATOM 240 O PHE A 15 -8.539 23.660 9.288 1.00 0.00 O ATOM 241 CB PHE A 15 -7.379 25.363 11.361 1.00 0.00 C ATOM 242 CG PHE A 15 -7.114 26.592 12.239 1.00 0.00 C ATOM 243 CD1 PHE A 15 -8.124 27.518 12.529 1.00 0.00 C ATOM 244 CD2 PHE A 15 -5.852 26.810 12.794 1.00 0.00 C ATOM 245 CE1 PHE A 15 -7.880 28.604 13.339 1.00 0.00 C ATOM 246 CE2 PHE A 15 -5.612 27.901 13.604 1.00 0.00 C ATOM 247 CZ PHE A 15 -6.629 28.787 13.880 1.00 0.00 C ATOM 0 H PHE A 15 -8.533 24.565 13.406 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.502 25.627 10.921 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.740 24.548 11.701 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.082 25.595 10.338 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.110 27.378 12.111 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.052 26.115 12.586 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.669 29.311 13.549 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.628 28.060 14.021 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.443 29.632 14.526 1.00 0.00 H new ATOM 257 N MET A 16 -9.653 22.589 10.938 1.00 0.00 N ATOM 258 CA MET A 16 -10.085 21.444 10.125 1.00 0.00 C ATOM 259 C MET A 16 -11.193 21.893 9.145 1.00 0.00 C ATOM 260 O MET A 16 -11.137 21.594 7.951 1.00 0.00 O ATOM 261 CB MET A 16 -10.565 20.296 11.063 1.00 0.00 C ATOM 262 CG MET A 16 -11.085 19.032 10.351 1.00 0.00 C ATOM 263 SD MET A 16 -12.770 19.208 9.718 1.00 0.00 S ATOM 264 CE MET A 16 -13.729 19.251 11.231 1.00 0.00 C ATOM 0 H MET A 16 -9.901 22.507 11.924 1.00 0.00 H new ATOM 0 HA MET A 16 -9.253 21.065 9.531 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.738 20.011 11.713 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.357 20.682 11.705 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.418 18.789 9.524 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.051 18.193 11.046 1.00 0.00 H new ATOM 0 HE1 MET A 16 -14.792 19.231 10.989 1.00 0.00 H new ATOM 0 HE2 MET A 16 -13.480 18.385 11.844 1.00 0.00 H new ATOM 0 HE3 MET A 16 -13.499 20.163 11.782 1.00 0.00 H new ATOM 274 N ASP A 17 -12.157 22.679 9.667 1.00 0.00 N ATOM 275 CA ASP A 17 -13.346 23.152 8.904 1.00 0.00 C ATOM 276 C ASP A 17 -12.991 24.175 7.802 1.00 0.00 C ATOM 277 O ASP A 17 -13.819 24.438 6.918 1.00 0.00 O ATOM 278 CB ASP A 17 -14.380 23.774 9.869 1.00 0.00 C ATOM 279 CG ASP A 17 -14.931 22.765 10.889 1.00 0.00 C ATOM 280 OD1 ASP A 17 -14.261 22.522 11.921 1.00 0.00 O ATOM 281 OD2 ASP A 17 -16.033 22.206 10.665 1.00 0.00 O ATOM 0 H ASP A 17 -12.139 23.008 10.632 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.766 22.277 8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.918 24.605 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.207 24.186 9.291 1.00 0.00 H new ATOM 286 N ARG A 18 -11.764 24.748 7.880 1.00 0.00 N ATOM 287 CA ARG A 18 -11.235 25.732 6.891 1.00 0.00 C ATOM 288 C ARG A 18 -11.355 25.210 5.451 1.00 0.00 C ATOM 289 O ARG A 18 -11.932 25.874 4.584 1.00 0.00 O ATOM 290 CB ARG A 18 -9.742 26.034 7.188 1.00 0.00 C ATOM 291 CG ARG A 18 -9.464 26.893 8.433 1.00 0.00 C ATOM 292 CD ARG A 18 -9.858 28.369 8.261 1.00 0.00 C ATOM 293 NE ARG A 18 -9.208 29.225 9.275 1.00 0.00 N ATOM 294 CZ ARG A 18 -9.734 30.321 9.832 1.00 0.00 C ATOM 295 NH1 ARG A 18 -11.002 30.652 9.621 1.00 0.00 N ATOM 296 NH2 ARG A 18 -8.981 31.071 10.621 1.00 0.00 N ATOM 0 H ARG A 18 -11.107 24.542 8.633 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.832 26.639 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.215 25.086 7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.314 26.537 6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.008 26.477 9.281 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.403 26.834 8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.577 28.708 7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.941 28.469 8.339 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.272 28.955 9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.590 30.067 9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.389 31.491 10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.011 30.811 10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.371 31.909 11.052 1.00 0.00 H new ATOM 310 N PHE A 19 -10.859 23.981 5.255 1.00 0.00 N ATOM 311 CA PHE A 19 -10.685 23.363 3.925 1.00 0.00 C ATOM 312 C PHE A 19 -12.040 23.193 3.204 1.00 0.00 C ATOM 313 O PHE A 19 -12.126 23.304 1.981 1.00 0.00 O ATOM 314 CB PHE A 19 -9.982 21.973 4.080 1.00 0.00 C ATOM 315 CG PHE A 19 -8.597 22.001 4.739 1.00 0.00 C ATOM 316 CD1 PHE A 19 -8.448 22.246 6.102 1.00 0.00 C ATOM 317 CD2 PHE A 19 -7.438 21.783 3.988 1.00 0.00 C ATOM 318 CE1 PHE A 19 -7.200 22.279 6.687 1.00 0.00 C ATOM 319 CE2 PHE A 19 -6.191 21.815 4.576 1.00 0.00 C ATOM 320 CZ PHE A 19 -6.074 22.067 5.923 1.00 0.00 C ATOM 0 H PHE A 19 -10.563 23.377 6.022 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.064 24.022 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.630 21.321 4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.886 21.522 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.324 22.413 6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.521 21.586 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.105 22.471 7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.307 21.642 3.979 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.097 22.099 6.382 1.00 0.00 H new ATOM 330 N PHE A 20 -13.099 23.027 4.004 1.00 0.00 N ATOM 331 CA PHE A 20 -14.461 22.725 3.528 1.00 0.00 C ATOM 332 C PHE A 20 -15.264 24.021 3.345 1.00 0.00 C ATOM 333 O PHE A 20 -16.152 24.096 2.497 1.00 0.00 O ATOM 334 CB PHE A 20 -15.135 21.789 4.556 1.00 0.00 C ATOM 335 CG PHE A 20 -14.287 20.558 4.848 1.00 0.00 C ATOM 336 CD1 PHE A 20 -14.259 19.499 3.956 1.00 0.00 C ATOM 337 CD2 PHE A 20 -13.490 20.477 5.989 1.00 0.00 C ATOM 338 CE1 PHE A 20 -13.478 18.398 4.189 1.00 0.00 C ATOM 339 CE2 PHE A 20 -12.704 19.370 6.221 1.00 0.00 C ATOM 340 CZ PHE A 20 -12.701 18.331 5.318 1.00 0.00 C ATOM 0 H PHE A 20 -13.036 23.099 5.020 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.422 22.230 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.312 22.335 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -16.109 21.477 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -14.863 19.542 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -13.489 21.291 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.474 17.581 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.092 19.317 7.109 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.086 17.462 5.498 1.00 0.00 H new ATOM 350 N LYS A 21 -14.913 25.035 4.153 1.00 0.00 N ATOM 351 CA LYS A 21 -15.521 26.372 4.106 1.00 0.00 C ATOM 352 C LYS A 21 -15.248 27.045 2.748 1.00 0.00 C ATOM 353 O LYS A 21 -16.149 27.617 2.127 1.00 0.00 O ATOM 354 CB LYS A 21 -14.967 27.218 5.306 1.00 0.00 C ATOM 355 CG LYS A 21 -15.332 28.736 5.334 1.00 0.00 C ATOM 356 CD LYS A 21 -14.316 29.633 4.559 1.00 0.00 C ATOM 357 CE LYS A 21 -14.741 31.110 4.520 1.00 0.00 C ATOM 358 NZ LYS A 21 -13.795 31.949 3.746 1.00 0.00 N ATOM 0 H LYS A 21 -14.189 24.946 4.866 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.604 26.296 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.325 26.767 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.880 27.131 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.325 28.871 4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.384 29.070 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.335 29.553 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.213 29.261 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.735 31.188 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.812 31.492 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.124 32.936 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.851 31.898 4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.746 31.603 2.766 1.00 0.00 H new ATOM 372 N LYS A 22 -13.982 26.969 2.312 1.00 0.00 N ATOM 373 CA LYS A 22 -13.482 27.691 1.120 1.00 0.00 C ATOM 374 C LYS A 22 -13.359 26.773 -0.113 1.00 0.00 C ATOM 375 O LYS A 22 -13.194 27.267 -1.234 1.00 0.00 O ATOM 376 CB LYS A 22 -12.122 28.337 1.482 1.00 0.00 C ATOM 377 CG LYS A 22 -11.034 27.335 1.917 1.00 0.00 C ATOM 378 CD LYS A 22 -9.815 28.001 2.605 1.00 0.00 C ATOM 379 CE LYS A 22 -10.135 28.610 3.985 1.00 0.00 C ATOM 380 NZ LYS A 22 -8.889 28.990 4.713 1.00 0.00 N ATOM 0 H LYS A 22 -13.269 26.404 2.774 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.201 28.462 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.759 28.897 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.278 29.056 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.474 26.608 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.690 26.783 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.025 27.259 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.425 28.784 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.767 29.489 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.701 27.892 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.136 29.547 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.380 28.130 5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.282 29.558 4.089 1.00 0.00 H new ATOM 394 N GLY A 23 -13.396 25.439 0.105 1.00 0.00 N ATOM 395 CA GLY A 23 -13.325 24.449 -0.990 1.00 0.00 C ATOM 396 C GLY A 23 -11.916 24.252 -1.580 1.00 0.00 C ATOM 397 O GLY A 23 -11.702 23.348 -2.403 1.00 0.00 O ATOM 0 H GLY A 23 -13.475 25.024 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.688 23.490 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.000 24.759 -1.788 1.00 0.00 H new ATOM 401 N LYS A 24 -10.968 25.105 -1.149 1.00 0.00 N ATOM 402 CA LYS A 24 -9.565 25.082 -1.584 1.00 0.00 C ATOM 403 C LYS A 24 -8.725 25.815 -0.535 1.00 0.00 C ATOM 404 O LYS A 24 -8.800 27.041 -0.426 1.00 0.00 O ATOM 405 CB LYS A 24 -9.383 25.744 -2.977 1.00 0.00 C ATOM 406 CG LYS A 24 -7.911 25.833 -3.467 1.00 0.00 C ATOM 407 CD LYS A 24 -7.784 26.475 -4.865 1.00 0.00 C ATOM 408 CE LYS A 24 -8.509 25.664 -5.952 1.00 0.00 C ATOM 409 NZ LYS A 24 -8.430 26.312 -7.282 1.00 0.00 N ATOM 0 H LYS A 24 -11.164 25.844 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.240 24.046 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.962 25.182 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.802 26.750 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.329 26.414 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.480 24.832 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.193 27.485 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.729 26.565 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.073 24.667 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.555 25.539 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.932 25.730 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.869 27.254 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.433 26.408 -7.563 1.00 0.00 H new ATOM 423 N ASP A 25 -7.958 25.055 0.235 1.00 0.00 N ATOM 424 CA ASP A 25 -7.147 25.568 1.349 1.00 0.00 C ATOM 425 C ASP A 25 -5.647 25.353 1.046 1.00 0.00 C ATOM 426 O ASP A 25 -5.294 24.825 -0.006 1.00 0.00 O ATOM 427 CB ASP A 25 -7.595 24.845 2.642 1.00 0.00 C ATOM 428 CG ASP A 25 -7.062 25.448 3.962 1.00 0.00 C ATOM 429 OD1 ASP A 25 -5.951 25.088 4.395 1.00 0.00 O ATOM 430 OD2 ASP A 25 -7.760 26.283 4.567 1.00 0.00 O ATOM 0 H ASP A 25 -7.875 24.046 0.107 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.292 26.640 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.684 24.844 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.277 23.804 2.584 1.00 0.00 H new ATOM 435 N VAL A 26 -4.766 25.813 1.946 1.00 0.00 N ATOM 436 CA VAL A 26 -3.317 25.564 1.875 1.00 0.00 C ATOM 437 C VAL A 26 -2.825 25.105 3.265 1.00 0.00 C ATOM 438 O VAL A 26 -2.785 25.898 4.214 1.00 0.00 O ATOM 439 CB VAL A 26 -2.525 26.842 1.388 1.00 0.00 C ATOM 440 CG1 VAL A 26 -1.000 26.618 1.435 1.00 0.00 C ATOM 441 CG2 VAL A 26 -2.967 27.270 -0.036 1.00 0.00 C ATOM 0 H VAL A 26 -5.041 26.374 2.752 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.128 24.782 1.140 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.767 27.650 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.489 27.518 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.696 26.395 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.735 25.782 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.404 28.152 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.776 26.457 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.032 27.503 -0.032 1.00 0.00 H new ATOM 451 N PHE A 27 -2.470 23.813 3.377 1.00 0.00 N ATOM 452 CA PHE A 27 -2.006 23.197 4.635 1.00 0.00 C ATOM 453 C PHE A 27 -0.480 23.370 4.773 1.00 0.00 C ATOM 454 O PHE A 27 0.287 22.724 4.061 1.00 0.00 O ATOM 455 CB PHE A 27 -2.403 21.692 4.668 1.00 0.00 C ATOM 456 CG PHE A 27 -2.088 20.973 5.979 1.00 0.00 C ATOM 457 CD1 PHE A 27 -2.771 21.295 7.148 1.00 0.00 C ATOM 458 CD2 PHE A 27 -1.133 19.960 6.037 1.00 0.00 C ATOM 459 CE1 PHE A 27 -2.507 20.641 8.332 1.00 0.00 C ATOM 460 CE2 PHE A 27 -0.869 19.307 7.222 1.00 0.00 C ATOM 461 CZ PHE A 27 -1.557 19.641 8.368 1.00 0.00 C ATOM 0 H PHE A 27 -2.497 23.162 2.593 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.484 23.694 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.472 21.609 4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.889 21.178 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.521 22.071 7.127 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.593 19.683 5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.043 20.911 9.230 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.119 18.530 7.252 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.353 19.121 9.292 1.00 0.00 H new ATOM 471 N VAL A 28 -0.052 24.255 5.684 1.00 0.00 N ATOM 472 CA VAL A 28 1.375 24.535 5.913 1.00 0.00 C ATOM 473 C VAL A 28 1.955 23.595 6.995 1.00 0.00 C ATOM 474 O VAL A 28 1.404 23.455 8.095 1.00 0.00 O ATOM 475 CB VAL A 28 1.632 26.049 6.268 1.00 0.00 C ATOM 476 CG1 VAL A 28 1.305 26.950 5.055 1.00 0.00 C ATOM 477 CG2 VAL A 28 0.829 26.502 7.510 1.00 0.00 C ATOM 0 H VAL A 28 -0.680 24.795 6.280 1.00 0.00 H new ATOM 0 HA VAL A 28 1.899 24.338 4.978 1.00 0.00 H new ATOM 0 HB VAL A 28 2.689 26.149 6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.488 27.992 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.938 26.671 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.258 26.823 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.039 27.552 7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.237 26.375 7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.119 25.899 8.370 1.00 0.00 H new ATOM 487 N LYS A 29 3.044 22.905 6.622 1.00 0.00 N ATOM 488 CA LYS A 29 3.836 22.038 7.508 1.00 0.00 C ATOM 489 C LYS A 29 5.204 22.704 7.800 1.00 0.00 C ATOM 490 O LYS A 29 5.857 23.163 6.871 1.00 0.00 O ATOM 491 CB LYS A 29 4.053 20.642 6.832 1.00 0.00 C ATOM 492 CG LYS A 29 2.788 19.743 6.713 1.00 0.00 C ATOM 493 CD LYS A 29 2.602 18.753 7.899 1.00 0.00 C ATOM 494 CE LYS A 29 2.308 19.416 9.257 1.00 0.00 C ATOM 495 NZ LYS A 29 2.280 18.418 10.355 1.00 0.00 N ATOM 0 H LYS A 29 3.408 22.936 5.670 1.00 0.00 H new ATOM 0 HA LYS A 29 3.300 21.896 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.457 20.802 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.810 20.099 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.907 20.381 6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.844 19.175 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.786 18.071 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.504 18.149 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.068 20.169 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.350 19.934 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.375 18.486 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.383 17.462 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.062 18.605 11.014 1.00 0.00 H new ATOM 509 N PRO A 30 5.652 22.785 9.091 1.00 0.00 N ATOM 510 CA PRO A 30 7.020 23.263 9.450 1.00 0.00 C ATOM 511 C PRO A 30 8.104 22.173 9.220 1.00 0.00 C ATOM 512 O PRO A 30 8.893 21.875 10.123 1.00 0.00 O ATOM 513 CB PRO A 30 6.854 23.630 10.949 1.00 0.00 C ATOM 514 CG PRO A 30 5.809 22.683 11.456 1.00 0.00 C ATOM 515 CD PRO A 30 4.846 22.480 10.304 1.00 0.00 C ATOM 0 HA PRO A 30 7.366 24.096 8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.792 23.513 11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.542 24.667 11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.254 21.737 11.765 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.297 23.094 12.326 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.463 21.460 10.281 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.984 23.142 10.385 1.00 0.00 H new ATOM 523 N ALA A 31 8.150 21.636 7.980 1.00 0.00 N ATOM 524 CA ALA A 31 8.978 20.468 7.599 1.00 0.00 C ATOM 525 C ALA A 31 8.635 19.239 8.469 1.00 0.00 C ATOM 526 O ALA A 31 9.237 19.021 9.524 1.00 0.00 O ATOM 527 CB ALA A 31 10.495 20.785 7.628 1.00 0.00 C ATOM 0 H ALA A 31 7.604 22.008 7.203 1.00 0.00 H new ATOM 0 HA ALA A 31 8.734 20.225 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.058 19.897 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.711 21.593 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.784 21.088 8.634 1.00 0.00 H new ATOM 533 N THR A 32 7.626 18.465 8.035 1.00 0.00 N ATOM 534 CA THR A 32 7.172 17.252 8.737 1.00 0.00 C ATOM 535 C THR A 32 7.070 16.090 7.733 1.00 0.00 C ATOM 536 O THR A 32 7.863 15.142 7.772 1.00 0.00 O ATOM 537 CB THR A 32 5.784 17.499 9.433 1.00 0.00 C ATOM 538 OG1 THR A 32 5.837 18.673 10.263 1.00 0.00 O ATOM 539 CG2 THR A 32 5.312 16.293 10.273 1.00 0.00 C ATOM 0 H THR A 32 7.100 18.664 7.184 1.00 0.00 H new ATOM 0 HA THR A 32 7.895 16.997 9.512 1.00 0.00 H new ATOM 0 HB THR A 32 5.059 17.644 8.632 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.965 18.813 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.349 16.522 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.210 15.419 9.630 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.043 16.085 11.054 1.00 0.00 H new ATOM 547 N VAL A 33 6.092 16.191 6.814 1.00 0.00 N ATOM 548 CA VAL A 33 5.860 15.187 5.772 1.00 0.00 C ATOM 549 C VAL A 33 6.276 15.772 4.411 1.00 0.00 C ATOM 550 O VAL A 33 5.611 16.643 3.863 1.00 0.00 O ATOM 551 CB VAL A 33 4.356 14.683 5.766 1.00 0.00 C ATOM 552 CG1 VAL A 33 4.064 13.808 7.003 1.00 0.00 C ATOM 553 CG2 VAL A 33 3.335 15.849 5.691 1.00 0.00 C ATOM 0 H VAL A 33 5.441 16.976 6.777 1.00 0.00 H new ATOM 0 HA VAL A 33 6.471 14.308 5.980 1.00 0.00 H new ATOM 0 HB VAL A 33 4.236 14.084 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.027 13.475 6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.724 12.941 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.235 14.390 7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.322 15.446 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.465 16.502 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.500 16.419 4.776 1.00 0.00 H new ATOM 563 N TRP A 34 7.410 15.293 3.893 1.00 0.00 N ATOM 564 CA TRP A 34 7.991 15.737 2.601 1.00 0.00 C ATOM 565 C TRP A 34 8.498 14.528 1.798 1.00 0.00 C ATOM 566 O TRP A 34 8.821 14.653 0.613 1.00 0.00 O ATOM 567 CB TRP A 34 9.148 16.751 2.856 1.00 0.00 C ATOM 568 CG TRP A 34 10.235 16.241 3.793 1.00 0.00 C ATOM 569 CD1 TRP A 34 10.283 16.388 5.156 1.00 0.00 C ATOM 570 CD2 TRP A 34 11.422 15.499 3.435 1.00 0.00 C ATOM 571 NE1 TRP A 34 11.406 15.787 5.655 1.00 0.00 N ATOM 572 CE2 TRP A 34 12.124 15.240 4.624 1.00 0.00 C ATOM 573 CE3 TRP A 34 11.962 15.041 2.222 1.00 0.00 C ATOM 574 CZ2 TRP A 34 13.325 14.533 4.643 1.00 0.00 C ATOM 575 CZ3 TRP A 34 13.151 14.335 2.242 1.00 0.00 C ATOM 576 CH2 TRP A 34 13.825 14.091 3.446 1.00 0.00 C ATOM 0 H TRP A 34 7.966 14.575 4.358 1.00 0.00 H new ATOM 0 HA TRP A 34 7.215 16.233 2.018 1.00 0.00 H new ATOM 0 HB2 TRP A 34 9.602 17.013 1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.727 17.667 3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.542 16.903 5.749 1.00 0.00 H new ATOM 0 HE1 TRP A 34 11.668 15.752 6.640 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.456 15.237 1.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 13.844 14.340 5.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.566 13.966 1.316 1.00 0.00 H new ATOM 0 HH2 TRP A 34 14.756 13.544 3.430 1.00 0.00 H new ATOM 587 N LYS A 35 8.540 13.360 2.467 1.00 0.00 N ATOM 588 CA LYS A 35 9.179 12.134 1.955 1.00 0.00 C ATOM 589 C LYS A 35 8.448 11.624 0.704 1.00 0.00 C ATOM 590 O LYS A 35 9.049 11.450 -0.363 1.00 0.00 O ATOM 591 CB LYS A 35 9.173 11.052 3.069 1.00 0.00 C ATOM 592 CG LYS A 35 9.820 11.499 4.402 1.00 0.00 C ATOM 593 CD LYS A 35 9.738 10.414 5.504 1.00 0.00 C ATOM 594 CE LYS A 35 10.552 9.147 5.168 1.00 0.00 C ATOM 595 NZ LYS A 35 10.387 8.085 6.194 1.00 0.00 N ATOM 0 H LYS A 35 8.125 13.241 3.391 1.00 0.00 H new ATOM 0 HA LYS A 35 10.208 12.356 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.143 10.753 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.698 10.169 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.865 11.753 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.327 12.405 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.099 10.832 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.695 10.138 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.239 8.763 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.607 9.407 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.952 7.253 5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.710 8.441 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.384 7.817 6.258 1.00 0.00 H new ATOM 609 N GLU A 36 7.137 11.400 0.855 1.00 0.00 N ATOM 610 CA GLU A 36 6.265 10.935 -0.238 1.00 0.00 C ATOM 611 C GLU A 36 5.437 12.113 -0.793 1.00 0.00 C ATOM 612 O GLU A 36 4.771 11.972 -1.819 1.00 0.00 O ATOM 613 CB GLU A 36 5.322 9.798 0.259 1.00 0.00 C ATOM 614 CG GLU A 36 5.984 8.743 1.182 1.00 0.00 C ATOM 615 CD GLU A 36 7.243 8.077 0.588 1.00 0.00 C ATOM 616 OE1 GLU A 36 7.139 7.388 -0.454 1.00 0.00 O ATOM 617 OE2 GLU A 36 8.338 8.218 1.175 1.00 0.00 O ATOM 0 H GLU A 36 6.647 11.535 1.739 1.00 0.00 H new ATOM 0 HA GLU A 36 6.891 10.537 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.486 10.250 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.907 9.287 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.251 9.220 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.252 7.969 1.412 1.00 0.00 H new ATOM 624 N LEU A 37 5.494 13.275 -0.097 1.00 0.00 N ATOM 625 CA LEU A 37 4.652 14.447 -0.412 1.00 0.00 C ATOM 626 C LEU A 37 5.033 15.049 -1.780 1.00 0.00 C ATOM 627 O LEU A 37 6.113 15.625 -1.932 1.00 0.00 O ATOM 628 CB LEU A 37 4.728 15.527 0.730 1.00 0.00 C ATOM 629 CG LEU A 37 3.364 16.040 1.300 1.00 0.00 C ATOM 630 CD1 LEU A 37 2.435 16.568 0.195 1.00 0.00 C ATOM 631 CD2 LEU A 37 2.673 14.953 2.139 1.00 0.00 C ATOM 0 H LEU A 37 6.122 13.422 0.693 1.00 0.00 H new ATOM 0 HA LEU A 37 3.618 14.109 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.307 15.111 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.283 16.385 0.351 1.00 0.00 H new ATOM 0 HG LEU A 37 3.586 16.883 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.501 16.913 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.919 17.397 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.225 15.769 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.727 15.336 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.484 14.078 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.317 14.673 2.973 1.00 0.00 H new ATOM 643 N LYS A 38 4.131 14.906 -2.766 1.00 0.00 N ATOM 644 CA LYS A 38 4.320 15.461 -4.115 1.00 0.00 C ATOM 645 C LYS A 38 2.981 16.054 -4.622 1.00 0.00 C ATOM 646 O LYS A 38 1.907 15.548 -4.251 1.00 0.00 O ATOM 647 CB LYS A 38 4.898 14.355 -5.073 1.00 0.00 C ATOM 648 CG LYS A 38 3.928 13.210 -5.507 1.00 0.00 C ATOM 649 CD LYS A 38 3.110 13.535 -6.791 1.00 0.00 C ATOM 650 CE LYS A 38 4.002 13.818 -8.015 1.00 0.00 C ATOM 651 NZ LYS A 38 3.208 14.114 -9.234 1.00 0.00 N ATOM 0 H LYS A 38 3.252 14.403 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 38 5.047 16.273 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.265 14.846 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.760 13.901 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.506 12.301 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.237 13.002 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.448 12.698 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.476 14.401 -6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.657 14.661 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.643 12.956 -8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.850 14.331 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.626 13.287 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.590 14.931 -9.056 1.00 0.00 H new ATOM 665 N PRO A 39 3.022 17.107 -5.507 1.00 0.00 N ATOM 666 CA PRO A 39 1.806 17.707 -6.096 1.00 0.00 C ATOM 667 C PRO A 39 1.127 16.738 -7.095 1.00 0.00 C ATOM 668 O PRO A 39 1.650 16.486 -8.190 1.00 0.00 O ATOM 669 CB PRO A 39 2.336 18.987 -6.791 1.00 0.00 C ATOM 670 CG PRO A 39 3.763 18.678 -7.122 1.00 0.00 C ATOM 671 CD PRO A 39 4.257 17.786 -6.004 1.00 0.00 C ATOM 0 HA PRO A 39 1.035 17.926 -5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.762 19.216 -7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.261 19.854 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.842 18.177 -8.087 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.356 19.590 -7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.991 17.065 -6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.739 18.365 -5.216 1.00 0.00 H new ATOM 679 N GLY A 40 0.003 16.154 -6.670 1.00 0.00 N ATOM 680 CA GLY A 40 -0.736 15.174 -7.473 1.00 0.00 C ATOM 681 C GLY A 40 -1.395 14.104 -6.619 1.00 0.00 C ATOM 682 O GLY A 40 -2.306 13.404 -7.080 1.00 0.00 O ATOM 0 H GLY A 40 -0.420 16.346 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.498 15.689 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.055 14.702 -8.181 1.00 0.00 H new ATOM 686 N MET A 41 -0.924 13.975 -5.365 1.00 0.00 N ATOM 687 CA MET A 41 -1.477 13.016 -4.395 1.00 0.00 C ATOM 688 C MET A 41 -2.828 13.497 -3.837 1.00 0.00 C ATOM 689 O MET A 41 -3.340 14.561 -4.208 1.00 0.00 O ATOM 690 CB MET A 41 -0.480 12.785 -3.227 1.00 0.00 C ATOM 691 CG MET A 41 0.862 12.146 -3.609 1.00 0.00 C ATOM 692 SD MET A 41 1.685 11.357 -2.201 1.00 0.00 S ATOM 693 CE MET A 41 1.577 12.622 -0.934 1.00 0.00 C ATOM 0 H MET A 41 -0.152 14.531 -4.998 1.00 0.00 H new ATOM 0 HA MET A 41 -1.638 12.075 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.281 13.744 -2.750 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.963 12.152 -2.482 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.697 11.405 -4.391 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.518 12.910 -4.027 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.337 12.441 -0.173 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.740 13.602 -1.383 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.589 12.593 -0.474 1.00 0.00 H new ATOM 703 N LYS A 42 -3.399 12.684 -2.944 1.00 0.00 N ATOM 704 CA LYS A 42 -4.617 13.023 -2.192 1.00 0.00 C ATOM 705 C LYS A 42 -4.288 13.338 -0.733 1.00 0.00 C ATOM 706 O LYS A 42 -3.225 12.996 -0.230 1.00 0.00 O ATOM 707 CB LYS A 42 -5.655 11.874 -2.269 1.00 0.00 C ATOM 708 CG LYS A 42 -5.098 10.449 -2.092 1.00 0.00 C ATOM 709 CD LYS A 42 -6.212 9.367 -2.088 1.00 0.00 C ATOM 710 CE LYS A 42 -7.159 9.465 -3.308 1.00 0.00 C ATOM 711 NZ LYS A 42 -8.116 8.330 -3.387 1.00 0.00 N ATOM 0 H LYS A 42 -3.027 11.761 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.051 13.912 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.413 12.044 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.158 11.929 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.393 10.236 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.541 10.395 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.751 8.380 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.797 9.460 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.716 10.401 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.565 9.498 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.725 8.447 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.589 7.437 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.704 8.311 -2.529 1.00 0.00 H new ATOM 725 N PHE A 43 -5.219 14.008 -0.071 1.00 0.00 N ATOM 726 CA PHE A 43 -5.141 14.309 1.357 1.00 0.00 C ATOM 727 C PHE A 43 -6.521 14.060 1.959 1.00 0.00 C ATOM 728 O PHE A 43 -7.445 14.850 1.743 1.00 0.00 O ATOM 729 CB PHE A 43 -4.689 15.769 1.571 1.00 0.00 C ATOM 730 CG PHE A 43 -4.201 16.159 2.976 1.00 0.00 C ATOM 731 CD1 PHE A 43 -4.975 15.932 4.115 1.00 0.00 C ATOM 732 CD2 PHE A 43 -2.970 16.798 3.145 1.00 0.00 C ATOM 733 CE1 PHE A 43 -4.538 16.325 5.362 1.00 0.00 C ATOM 734 CE2 PHE A 43 -2.535 17.182 4.393 1.00 0.00 C ATOM 735 CZ PHE A 43 -3.319 16.949 5.501 1.00 0.00 C ATOM 0 H PHE A 43 -6.065 14.365 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.406 13.671 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.886 15.980 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.522 16.421 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.932 15.441 4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.350 16.994 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.153 16.143 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.577 17.667 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.978 17.256 6.479 1.00 0.00 H new ATOM 745 N VAL A 44 -6.667 12.955 2.679 1.00 0.00 N ATOM 746 CA VAL A 44 -7.915 12.629 3.370 1.00 0.00 C ATOM 747 C VAL A 44 -7.888 13.244 4.776 1.00 0.00 C ATOM 748 O VAL A 44 -6.871 13.197 5.475 1.00 0.00 O ATOM 749 CB VAL A 44 -8.143 11.080 3.426 1.00 0.00 C ATOM 750 CG1 VAL A 44 -9.489 10.726 4.100 1.00 0.00 C ATOM 751 CG2 VAL A 44 -8.063 10.479 1.999 1.00 0.00 C ATOM 0 H VAL A 44 -5.930 12.261 2.802 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.753 13.051 2.816 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.353 10.643 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.612 9.643 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.498 11.112 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.307 11.173 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.223 9.402 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.830 10.931 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.080 10.681 1.574 1.00 0.00 H new ATOM 761 N PHE A 45 -8.996 13.869 5.155 1.00 0.00 N ATOM 762 CA PHE A 45 -9.150 14.506 6.463 1.00 0.00 C ATOM 763 C PHE A 45 -9.891 13.551 7.404 1.00 0.00 C ATOM 764 O PHE A 45 -11.117 13.350 7.278 1.00 0.00 O ATOM 765 CB PHE A 45 -9.891 15.850 6.312 1.00 0.00 C ATOM 766 CG PHE A 45 -9.223 16.792 5.322 1.00 0.00 C ATOM 767 CD1 PHE A 45 -8.087 17.506 5.676 1.00 0.00 C ATOM 768 CD2 PHE A 45 -9.722 16.948 4.034 1.00 0.00 C ATOM 769 CE1 PHE A 45 -7.469 18.342 4.771 1.00 0.00 C ATOM 770 CE2 PHE A 45 -9.108 17.783 3.139 1.00 0.00 C ATOM 771 CZ PHE A 45 -7.981 18.480 3.502 1.00 0.00 C ATOM 0 H PHE A 45 -9.821 13.950 4.561 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.172 14.719 6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.914 15.659 5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.949 16.337 7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.682 17.405 6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.606 16.404 3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.583 18.889 5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.511 17.894 2.143 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.498 19.135 2.792 1.00 0.00 H new ATOM 781 N TYR A 46 -9.099 12.918 8.290 1.00 0.00 N ATOM 782 CA TYR A 46 -9.590 12.032 9.355 1.00 0.00 C ATOM 783 C TYR A 46 -10.312 12.852 10.431 1.00 0.00 C ATOM 784 O TYR A 46 -10.027 14.048 10.595 1.00 0.00 O ATOM 785 CB TYR A 46 -8.392 11.239 9.950 1.00 0.00 C ATOM 786 CG TYR A 46 -8.716 10.344 11.166 1.00 0.00 C ATOM 787 CD1 TYR A 46 -9.357 9.113 11.015 1.00 0.00 C ATOM 788 CD2 TYR A 46 -8.370 10.730 12.465 1.00 0.00 C ATOM 789 CE1 TYR A 46 -9.637 8.314 12.112 1.00 0.00 C ATOM 790 CE2 TYR A 46 -8.647 9.933 13.560 1.00 0.00 C ATOM 791 CZ TYR A 46 -9.278 8.726 13.381 1.00 0.00 C ATOM 792 OH TYR A 46 -9.560 7.930 14.479 1.00 0.00 O ATOM 0 H TYR A 46 -8.083 13.012 8.283 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.308 11.321 8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -7.969 10.613 9.164 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.619 11.950 10.242 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.639 8.778 10.028 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.873 11.677 12.617 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.137 7.367 11.975 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.369 10.258 14.552 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.238 8.370 15.293 1.00 0.00 H new ATOM 896 N PHE A 54 -14.377 10.247 9.498 1.00 0.00 N ATOM 897 CA PHE A 54 -13.683 11.125 8.542 1.00 0.00 C ATOM 898 C PHE A 54 -14.609 12.303 8.211 1.00 0.00 C ATOM 899 O PHE A 54 -15.819 12.113 8.068 1.00 0.00 O ATOM 900 CB PHE A 54 -13.343 10.380 7.230 1.00 0.00 C ATOM 901 CG PHE A 54 -12.280 9.285 7.294 1.00 0.00 C ATOM 902 CD1 PHE A 54 -10.928 9.604 7.214 1.00 0.00 C ATOM 903 CD2 PHE A 54 -12.628 7.940 7.376 1.00 0.00 C ATOM 904 CE1 PHE A 54 -9.956 8.618 7.231 1.00 0.00 C ATOM 905 CE2 PHE A 54 -11.662 6.961 7.377 1.00 0.00 C ATOM 906 CZ PHE A 54 -10.326 7.297 7.310 1.00 0.00 C ATOM 0 HA PHE A 54 -12.751 11.464 8.994 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.262 9.934 6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.020 11.120 6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.631 10.640 7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.670 7.662 7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.911 8.886 7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.952 5.922 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.572 6.524 7.320 1.00 0.00 H new ATOM 916 N VAL A 55 -14.048 13.513 8.088 1.00 0.00 N ATOM 917 CA VAL A 55 -14.821 14.718 7.717 1.00 0.00 C ATOM 918 C VAL A 55 -14.852 14.914 6.191 1.00 0.00 C ATOM 919 O VAL A 55 -15.861 15.383 5.649 1.00 0.00 O ATOM 920 CB VAL A 55 -14.278 16.002 8.441 1.00 0.00 C ATOM 921 CG1 VAL A 55 -12.782 16.230 8.162 1.00 0.00 C ATOM 922 CG2 VAL A 55 -15.114 17.264 8.120 1.00 0.00 C ATOM 0 H VAL A 55 -13.055 13.690 8.240 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.845 14.561 8.055 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.387 15.818 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.448 17.128 8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.211 15.372 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.626 16.352 7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.695 18.122 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.093 17.451 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.144 17.109 8.441 1.00 0.00 H new ATOM 932 N GLY A 56 -13.758 14.547 5.500 1.00 0.00 N ATOM 933 CA GLY A 56 -13.698 14.703 4.040 1.00 0.00 C ATOM 934 C GLY A 56 -12.367 14.278 3.441 1.00 0.00 C ATOM 935 O GLY A 56 -11.622 13.519 4.059 1.00 0.00 O ATOM 0 H GLY A 56 -12.919 14.148 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.496 14.115 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.886 15.746 3.786 1.00 0.00 H new ATOM 939 N GLU A 57 -12.090 14.762 2.221 1.00 0.00 N ATOM 940 CA GLU A 57 -10.831 14.508 1.491 1.00 0.00 C ATOM 941 C GLU A 57 -10.520 15.714 0.580 1.00 0.00 C ATOM 942 O GLU A 57 -11.304 16.661 0.535 1.00 0.00 O ATOM 943 CB GLU A 57 -10.902 13.198 0.655 1.00 0.00 C ATOM 944 CG GLU A 57 -11.895 13.231 -0.522 1.00 0.00 C ATOM 945 CD GLU A 57 -11.876 11.946 -1.364 1.00 0.00 C ATOM 946 OE1 GLU A 57 -10.923 11.750 -2.134 1.00 0.00 O ATOM 947 OE2 GLU A 57 -12.795 11.113 -1.247 1.00 0.00 O ATOM 0 H GLU A 57 -12.742 15.350 1.703 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.030 14.380 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.908 12.978 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.174 12.376 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.902 13.390 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.661 14.081 -1.163 1.00 0.00 H new ATOM 954 N ALA A 58 -9.368 15.676 -0.114 1.00 0.00 N ATOM 955 CA ALA A 58 -8.932 16.736 -1.055 1.00 0.00 C ATOM 956 C ALA A 58 -7.759 16.245 -1.907 1.00 0.00 C ATOM 957 O ALA A 58 -7.324 15.104 -1.770 1.00 0.00 O ATOM 958 CB ALA A 58 -8.535 18.008 -0.296 1.00 0.00 C ATOM 0 H ALA A 58 -8.705 14.905 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.770 16.972 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.219 18.772 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.390 18.374 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.714 17.784 0.385 1.00 0.00 H new ATOM 964 N ARG A 59 -7.250 17.115 -2.791 1.00 0.00 N ATOM 965 CA ARG A 59 -6.121 16.805 -3.681 1.00 0.00 C ATOM 966 C ARG A 59 -4.954 17.773 -3.427 1.00 0.00 C ATOM 967 O ARG A 59 -5.123 18.995 -3.445 1.00 0.00 O ATOM 968 CB ARG A 59 -6.584 16.835 -5.165 1.00 0.00 C ATOM 969 CG ARG A 59 -7.432 15.605 -5.583 1.00 0.00 C ATOM 970 CD ARG A 59 -6.613 14.296 -5.548 1.00 0.00 C ATOM 971 NE ARG A 59 -7.421 13.111 -5.906 1.00 0.00 N ATOM 972 CZ ARG A 59 -7.056 12.157 -6.781 1.00 0.00 C ATOM 973 NH1 ARG A 59 -5.939 12.282 -7.499 1.00 0.00 N ATOM 974 NH2 ARG A 59 -7.828 11.091 -6.940 1.00 0.00 N ATOM 0 H ARG A 59 -7.613 18.061 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.762 15.799 -3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.166 17.741 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.706 16.895 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.290 15.513 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.824 15.760 -6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.772 14.379 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.196 14.159 -4.550 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.329 13.009 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.351 13.108 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.673 11.552 -8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.689 11.000 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.561 10.362 -7.601 1.00 0.00 H new ATOM 988 N ILE A 60 -3.786 17.181 -3.151 1.00 0.00 N ATOM 989 CA ILE A 60 -2.526 17.893 -2.932 1.00 0.00 C ATOM 990 C ILE A 60 -1.997 18.486 -4.249 1.00 0.00 C ATOM 991 O ILE A 60 -1.917 17.795 -5.271 1.00 0.00 O ATOM 992 CB ILE A 60 -1.467 16.914 -2.296 1.00 0.00 C ATOM 993 CG1 ILE A 60 -1.835 16.614 -0.806 1.00 0.00 C ATOM 994 CG2 ILE A 60 -0.009 17.437 -2.435 1.00 0.00 C ATOM 995 CD1 ILE A 60 -1.140 15.404 -0.210 1.00 0.00 C ATOM 0 H ILE A 60 -3.691 16.168 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.703 18.719 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.504 15.980 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.591 17.489 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.913 16.468 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.678 16.724 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.236 17.555 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.082 18.400 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.457 15.275 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.402 14.515 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.061 15.552 -0.243 1.00 0.00 H new ATOM 1007 N LYS A 61 -1.647 19.770 -4.180 1.00 0.00 N ATOM 1008 CA LYS A 61 -1.053 20.551 -5.276 1.00 0.00 C ATOM 1009 C LYS A 61 0.246 21.207 -4.775 1.00 0.00 C ATOM 1010 O LYS A 61 0.605 21.052 -3.594 1.00 0.00 O ATOM 1011 CB LYS A 61 -2.064 21.635 -5.755 1.00 0.00 C ATOM 1012 CG LYS A 61 -3.329 21.083 -6.454 1.00 0.00 C ATOM 1013 CD LYS A 61 -3.250 21.127 -7.998 1.00 0.00 C ATOM 1014 CE LYS A 61 -3.300 22.568 -8.536 1.00 0.00 C ATOM 1015 NZ LYS A 61 -3.410 22.606 -10.011 1.00 0.00 N ATOM 0 H LYS A 61 -1.772 20.319 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.823 19.899 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.372 22.229 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.553 22.310 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.490 20.053 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.195 21.657 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.328 20.649 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.075 20.553 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.150 23.090 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.402 23.102 -8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.441 23.595 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.587 22.131 -10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.280 22.119 -10.307 1.00 0.00 H new ATOM 1029 N ARG A 62 0.878 21.978 -5.692 1.00 0.00 N ATOM 1030 CA ARG A 62 2.216 22.610 -5.541 1.00 0.00 C ATOM 1031 C ARG A 62 2.598 22.973 -4.078 1.00 0.00 C ATOM 1032 O ARG A 62 1.948 23.801 -3.427 1.00 0.00 O ATOM 1033 CB ARG A 62 2.254 23.865 -6.457 1.00 0.00 C ATOM 1034 CG ARG A 62 1.110 24.866 -6.185 1.00 0.00 C ATOM 1035 CD ARG A 62 1.179 26.114 -7.068 1.00 0.00 C ATOM 1036 NE ARG A 62 0.167 27.106 -6.677 1.00 0.00 N ATOM 1037 CZ ARG A 62 0.348 28.429 -6.619 1.00 0.00 C ATOM 1038 NH1 ARG A 62 1.521 28.981 -6.934 1.00 0.00 N ATOM 1039 NH2 ARG A 62 -0.649 29.190 -6.222 1.00 0.00 N ATOM 0 H ARG A 62 0.454 22.187 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 62 2.965 21.877 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.209 24.373 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.206 23.546 -7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.154 24.368 -6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.141 25.167 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.172 26.558 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.030 25.832 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.757 26.753 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.300 28.391 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.638 29.993 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.541 28.768 -5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.530 30.202 -6.171 1.00 0.00 H new ATOM 1053 N VAL A 63 3.625 22.282 -3.556 1.00 0.00 N ATOM 1054 CA VAL A 63 4.162 22.538 -2.214 1.00 0.00 C ATOM 1055 C VAL A 63 5.176 23.711 -2.289 1.00 0.00 C ATOM 1056 O VAL A 63 6.262 23.595 -2.874 1.00 0.00 O ATOM 1057 CB VAL A 63 4.781 21.226 -1.560 1.00 0.00 C ATOM 1058 CG1 VAL A 63 3.676 20.153 -1.353 1.00 0.00 C ATOM 1059 CG2 VAL A 63 5.960 20.636 -2.387 1.00 0.00 C ATOM 0 H VAL A 63 4.104 21.532 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 63 3.348 22.831 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 63 5.190 21.519 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.114 19.261 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.904 20.549 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.234 19.896 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.341 19.743 -1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.609 20.375 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.757 21.376 -2.464 1.00 0.00 H new ATOM 1069 N VAL A 64 4.780 24.867 -1.733 1.00 0.00 N ATOM 1070 CA VAL A 64 5.571 26.102 -1.806 1.00 0.00 C ATOM 1071 C VAL A 64 6.552 26.128 -0.625 1.00 0.00 C ATOM 1072 O VAL A 64 6.147 26.256 0.529 1.00 0.00 O ATOM 1073 CB VAL A 64 4.632 27.364 -1.787 1.00 0.00 C ATOM 1074 CG1 VAL A 64 5.434 28.689 -1.820 1.00 0.00 C ATOM 1075 CG2 VAL A 64 3.602 27.306 -2.942 1.00 0.00 C ATOM 0 H VAL A 64 3.904 24.970 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 64 6.130 26.127 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 64 4.087 27.345 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.744 29.533 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.088 28.740 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.035 28.728 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.965 28.190 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.127 27.275 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.988 26.412 -2.837 1.00 0.00 H new ATOM 1085 N LEU A 65 7.841 25.956 -0.936 1.00 0.00 N ATOM 1086 CA LEU A 65 8.908 25.846 0.064 1.00 0.00 C ATOM 1087 C LEU A 65 9.454 27.248 0.385 1.00 0.00 C ATOM 1088 O LEU A 65 9.913 27.953 -0.518 1.00 0.00 O ATOM 1089 CB LEU A 65 10.043 24.924 -0.474 1.00 0.00 C ATOM 1090 CG LEU A 65 9.599 23.526 -1.025 1.00 0.00 C ATOM 1091 CD1 LEU A 65 10.805 22.711 -1.543 1.00 0.00 C ATOM 1092 CD2 LEU A 65 8.798 22.729 0.025 1.00 0.00 C ATOM 0 H LEU A 65 8.176 25.889 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 65 8.511 25.405 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.567 25.455 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.762 24.763 0.329 1.00 0.00 H new ATOM 0 HG LEU A 65 8.938 23.711 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.459 21.747 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.295 23.258 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.513 22.551 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.507 21.765 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.415 22.569 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.904 23.288 0.302 1.00 0.00 H new ATOM 1104 N SER A 66 9.386 27.643 1.661 1.00 0.00 N ATOM 1105 CA SER A 66 9.905 28.932 2.140 1.00 0.00 C ATOM 1106 C SER A 66 10.366 28.805 3.592 1.00 0.00 C ATOM 1107 O SER A 66 9.711 28.159 4.417 1.00 0.00 O ATOM 1108 CB SER A 66 8.835 30.038 2.022 1.00 0.00 C ATOM 1109 OG SER A 66 9.307 31.275 2.536 1.00 0.00 O ATOM 0 H SER A 66 8.967 27.074 2.397 1.00 0.00 H new ATOM 0 HA SER A 66 10.754 29.210 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.551 30.161 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.938 29.737 2.562 1.00 0.00 H new ATOM 0 HG SER A 66 9.212 31.971 1.853 1.00 0.00 H new ATOM 1115 N GLU A 67 11.491 29.459 3.891 1.00 0.00 N ATOM 1116 CA GLU A 67 12.069 29.513 5.235 1.00 0.00 C ATOM 1117 C GLU A 67 11.356 30.563 6.117 1.00 0.00 C ATOM 1118 O GLU A 67 11.605 30.633 7.328 1.00 0.00 O ATOM 1119 CB GLU A 67 13.589 29.778 5.106 1.00 0.00 C ATOM 1120 CG GLU A 67 14.409 28.539 4.686 1.00 0.00 C ATOM 1121 CD GLU A 67 15.825 28.878 4.188 1.00 0.00 C ATOM 1122 OE1 GLU A 67 15.993 29.147 2.976 1.00 0.00 O ATOM 1123 OE2 GLU A 67 16.777 28.896 4.998 1.00 0.00 O ATOM 0 H GLU A 67 12.033 29.973 3.196 1.00 0.00 H new ATOM 0 HA GLU A 67 11.922 28.558 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.748 30.571 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.966 30.144 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.484 27.859 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.873 28.009 3.899 1.00 0.00 H new ATOM 1130 N ASN A 68 10.477 31.392 5.503 1.00 0.00 N ATOM 1131 CA ASN A 68 9.555 32.277 6.244 1.00 0.00 C ATOM 1132 C ASN A 68 8.106 31.786 6.032 1.00 0.00 C ATOM 1133 O ASN A 68 7.627 31.760 4.886 1.00 0.00 O ATOM 1134 CB ASN A 68 9.668 33.762 5.785 1.00 0.00 C ATOM 1135 CG ASN A 68 11.064 34.368 5.951 1.00 0.00 C ATOM 1136 OD1 ASN A 68 11.853 33.953 6.809 1.00 0.00 O ATOM 1137 ND2 ASN A 68 11.371 35.380 5.147 1.00 0.00 N ATOM 0 H ASN A 68 10.390 31.464 4.489 1.00 0.00 H new ATOM 0 HA ASN A 68 9.828 32.236 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.378 33.829 4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.955 34.361 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.279 35.838 5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.699 35.699 4.449 1.00 0.00 H new ATOM 1144 N PRO A 69 7.369 31.405 7.126 1.00 0.00 N ATOM 1145 CA PRO A 69 5.933 31.033 7.042 1.00 0.00 C ATOM 1146 C PRO A 69 5.017 32.228 6.677 1.00 0.00 C ATOM 1147 O PRO A 69 3.869 32.034 6.251 1.00 0.00 O ATOM 1148 CB PRO A 69 5.619 30.484 8.459 1.00 0.00 C ATOM 1149 CG PRO A 69 6.650 31.108 9.351 1.00 0.00 C ATOM 1150 CD PRO A 69 7.894 31.243 8.510 1.00 0.00 C ATOM 0 HA PRO A 69 5.746 30.310 6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.610 30.753 8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 69 5.681 29.396 8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.316 32.080 9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.836 30.487 10.227 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.492 32.102 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.533 30.364 8.596 1.00 0.00 H new ATOM 1158 N MET A 70 5.560 33.457 6.799 1.00 0.00 N ATOM 1159 CA MET A 70 4.802 34.702 6.570 1.00 0.00 C ATOM 1160 C MET A 70 4.563 34.934 5.068 1.00 0.00 C ATOM 1161 O MET A 70 3.606 35.629 4.677 1.00 0.00 O ATOM 1162 CB MET A 70 5.527 35.917 7.209 1.00 0.00 C ATOM 1163 CG MET A 70 5.510 35.944 8.752 1.00 0.00 C ATOM 1164 SD MET A 70 6.439 34.599 9.527 1.00 0.00 S ATOM 1165 CE MET A 70 8.134 35.033 9.139 1.00 0.00 C ATOM 0 H MET A 70 6.534 33.613 7.058 1.00 0.00 H new ATOM 0 HA MET A 70 3.830 34.596 7.052 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.563 35.922 6.871 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.066 36.833 6.839 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.918 36.896 9.092 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.476 35.900 9.094 1.00 0.00 H new ATOM 0 HE1 MET A 70 8.585 34.241 8.541 1.00 0.00 H new ATOM 0 HE2 MET A 70 8.151 35.967 8.577 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.699 35.156 10.063 1.00 0.00 H new ATOM 1175 N GLN A 71 5.421 34.321 4.227 1.00 0.00 N ATOM 1176 CA GLN A 71 5.330 34.461 2.767 1.00 0.00 C ATOM 1177 C GLN A 71 4.085 33.756 2.207 1.00 0.00 C ATOM 1178 O GLN A 71 3.556 34.157 1.175 1.00 0.00 O ATOM 1179 CB GLN A 71 6.609 33.948 2.067 1.00 0.00 C ATOM 1180 CG GLN A 71 7.902 34.677 2.494 1.00 0.00 C ATOM 1181 CD GLN A 71 9.074 34.476 1.527 1.00 0.00 C ATOM 1182 OE1 GLN A 71 9.167 33.463 0.828 1.00 0.00 O ATOM 1183 NE2 GLN A 71 9.985 35.440 1.488 1.00 0.00 N ATOM 0 H GLN A 71 6.186 33.723 4.540 1.00 0.00 H new ATOM 0 HA GLN A 71 5.235 35.526 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.720 32.884 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.486 34.052 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.695 35.743 2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.196 34.327 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.880 36.265 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.790 35.356 0.868 1.00 0.00 H new ATOM 1192 N PHE A 72 3.605 32.724 2.917 1.00 0.00 N ATOM 1193 CA PHE A 72 2.394 31.979 2.524 1.00 0.00 C ATOM 1194 C PHE A 72 1.127 32.819 2.741 1.00 0.00 C ATOM 1195 O PHE A 72 0.085 32.530 2.155 1.00 0.00 O ATOM 1196 CB PHE A 72 2.293 30.660 3.325 1.00 0.00 C ATOM 1197 CG PHE A 72 3.550 29.798 3.274 1.00 0.00 C ATOM 1198 CD1 PHE A 72 4.282 29.649 2.092 1.00 0.00 C ATOM 1199 CD2 PHE A 72 3.998 29.136 4.407 1.00 0.00 C ATOM 1200 CE1 PHE A 72 5.414 28.864 2.061 1.00 0.00 C ATOM 1201 CE2 PHE A 72 5.122 28.356 4.368 1.00 0.00 C ATOM 1202 CZ PHE A 72 5.834 28.216 3.198 1.00 0.00 C ATOM 0 H PHE A 72 4.040 32.382 3.774 1.00 0.00 H new ATOM 0 HA PHE A 72 2.474 31.750 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.070 30.896 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.453 30.080 2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.957 30.154 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.452 29.237 5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.972 28.758 1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.453 27.847 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.720 27.599 3.174 1.00 0.00 H new ATOM 1212 N PHE A 73 1.222 33.850 3.601 1.00 0.00 N ATOM 1213 CA PHE A 73 0.089 34.732 3.916 1.00 0.00 C ATOM 1214 C PHE A 73 0.015 35.896 2.924 1.00 0.00 C ATOM 1215 O PHE A 73 -1.077 36.267 2.480 1.00 0.00 O ATOM 1216 CB PHE A 73 0.181 35.226 5.377 1.00 0.00 C ATOM 1217 CG PHE A 73 0.264 34.080 6.383 1.00 0.00 C ATOM 1218 CD1 PHE A 73 -0.653 33.027 6.346 1.00 0.00 C ATOM 1219 CD2 PHE A 73 1.261 34.041 7.349 1.00 0.00 C ATOM 1220 CE1 PHE A 73 -0.565 31.980 7.240 1.00 0.00 C ATOM 1221 CE2 PHE A 73 1.339 32.996 8.240 1.00 0.00 C ATOM 1222 CZ PHE A 73 0.429 31.965 8.188 1.00 0.00 C ATOM 0 H PHE A 73 2.082 34.092 4.093 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.836 34.164 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.058 35.864 5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.690 35.841 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.441 33.033 5.608 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.984 34.841 7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.279 31.171 7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.120 32.985 8.986 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.496 31.147 8.890 1.00 0.00 H new ATOM 1232 N GLU A 74 1.180 36.458 2.549 1.00 0.00 N ATOM 1233 CA GLU A 74 1.232 37.511 1.509 1.00 0.00 C ATOM 1234 C GLU A 74 0.893 36.920 0.119 1.00 0.00 C ATOM 1235 O GLU A 74 0.374 37.626 -0.755 1.00 0.00 O ATOM 1236 CB GLU A 74 2.610 38.217 1.494 1.00 0.00 C ATOM 1237 CG GLU A 74 3.784 37.333 1.047 1.00 0.00 C ATOM 1238 CD GLU A 74 5.146 38.040 1.125 1.00 0.00 C ATOM 1239 OE1 GLU A 74 5.549 38.689 0.139 1.00 0.00 O ATOM 1240 OE2 GLU A 74 5.818 37.954 2.178 1.00 0.00 O ATOM 0 H GLU A 74 2.087 36.207 2.942 1.00 0.00 H new ATOM 0 HA GLU A 74 0.481 38.263 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.552 39.081 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.819 38.595 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.812 36.438 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.612 37.005 0.022 1.00 0.00 H new ATOM 1247 N THR A 75 1.178 35.605 -0.061 1.00 0.00 N ATOM 1248 CA THR A 75 0.874 34.881 -1.306 1.00 0.00 C ATOM 1249 C THR A 75 -0.599 34.412 -1.317 1.00 0.00 C ATOM 1250 O THR A 75 -1.385 34.844 -2.163 1.00 0.00 O ATOM 1251 CB THR A 75 1.838 33.657 -1.491 1.00 0.00 C ATOM 1252 OG1 THR A 75 3.196 34.122 -1.561 1.00 0.00 O ATOM 1253 CG2 THR A 75 1.521 32.818 -2.748 1.00 0.00 C ATOM 0 H THR A 75 1.622 35.027 0.652 1.00 0.00 H new ATOM 0 HA THR A 75 1.027 35.566 -2.140 1.00 0.00 H new ATOM 0 HB THR A 75 1.693 33.008 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.556 34.218 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.223 31.987 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.505 32.429 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.610 33.444 -3.636 1.00 0.00 H new ATOM 1261 N PHE A 76 -0.976 33.558 -0.344 1.00 0.00 N ATOM 1262 CA PHE A 76 -2.338 32.978 -0.255 1.00 0.00 C ATOM 1263 C PHE A 76 -3.143 33.708 0.835 1.00 0.00 C ATOM 1264 O PHE A 76 -4.108 34.423 0.538 1.00 0.00 O ATOM 1265 CB PHE A 76 -2.272 31.460 0.068 1.00 0.00 C ATOM 1266 CG PHE A 76 -1.378 30.628 -0.849 1.00 0.00 C ATOM 1267 CD1 PHE A 76 -1.785 30.311 -2.145 1.00 0.00 C ATOM 1268 CD2 PHE A 76 -0.150 30.131 -0.402 1.00 0.00 C ATOM 1269 CE1 PHE A 76 -0.991 29.530 -2.964 1.00 0.00 C ATOM 1270 CE2 PHE A 76 0.645 29.353 -1.226 1.00 0.00 C ATOM 1271 CZ PHE A 76 0.222 29.050 -2.506 1.00 0.00 C ATOM 0 H PHE A 76 -0.351 33.250 0.401 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.831 33.104 -1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.922 31.340 1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.283 31.054 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.731 30.680 -2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.183 30.357 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.319 29.294 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.595 28.983 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.838 28.439 -3.148 1.00 0.00 H new ATOM 1281 N GLY A 77 -2.724 33.517 2.106 1.00 0.00 N ATOM 1282 CA GLY A 77 -3.377 34.150 3.253 1.00 0.00 C ATOM 1283 C GLY A 77 -4.695 33.499 3.605 1.00 0.00 C ATOM 1284 O GLY A 77 -4.749 32.580 4.427 1.00 0.00 O ATOM 0 H GLY A 77 -1.932 32.925 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.712 34.105 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.544 35.205 3.035 1.00 0.00 H new ATOM 1288 N ASP A 78 -5.751 33.990 2.938 1.00 0.00 N ATOM 1289 CA ASP A 78 -7.142 33.507 3.077 1.00 0.00 C ATOM 1290 C ASP A 78 -7.252 32.006 2.794 1.00 0.00 C ATOM 1291 O ASP A 78 -8.048 31.304 3.427 1.00 0.00 O ATOM 1292 CB ASP A 78 -8.055 34.295 2.107 1.00 0.00 C ATOM 1293 CG ASP A 78 -9.489 33.737 1.977 1.00 0.00 C ATOM 1294 OD1 ASP A 78 -10.259 33.788 2.962 1.00 0.00 O ATOM 1295 OD2 ASP A 78 -9.860 33.265 0.877 1.00 0.00 O ATOM 0 H ASP A 78 -5.663 34.754 2.268 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.459 33.671 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.111 35.331 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.592 34.304 1.120 1.00 0.00 H new ATOM 1300 N ARG A 79 -6.459 31.534 1.823 1.00 0.00 N ATOM 1301 CA ARG A 79 -6.445 30.119 1.436 1.00 0.00 C ATOM 1302 C ARG A 79 -5.836 29.235 2.519 1.00 0.00 C ATOM 1303 O ARG A 79 -6.321 28.142 2.745 1.00 0.00 O ATOM 1304 CB ARG A 79 -5.715 29.919 0.087 1.00 0.00 C ATOM 1305 CG ARG A 79 -6.458 30.522 -1.116 1.00 0.00 C ATOM 1306 CD ARG A 79 -7.877 29.930 -1.262 1.00 0.00 C ATOM 1307 NE ARG A 79 -8.567 30.356 -2.490 1.00 0.00 N ATOM 1308 CZ ARG A 79 -9.764 29.891 -2.896 1.00 0.00 C ATOM 1309 NH1 ARG A 79 -10.397 28.931 -2.215 1.00 0.00 N ATOM 1310 NH2 ARG A 79 -10.309 30.373 -4.003 1.00 0.00 N ATOM 0 H ARG A 79 -5.815 32.117 1.288 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.483 29.811 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.723 30.367 0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.572 28.852 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.525 31.604 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.889 30.335 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.811 28.842 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.475 30.222 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.106 31.053 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.974 28.539 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.303 28.590 -2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.822 31.090 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.215 30.027 -4.318 1.00 0.00 H new ATOM 1324 N VAL A 80 -4.798 29.729 3.210 1.00 0.00 N ATOM 1325 CA VAL A 80 -4.112 28.953 4.268 1.00 0.00 C ATOM 1326 C VAL A 80 -5.085 28.683 5.449 1.00 0.00 C ATOM 1327 O VAL A 80 -5.988 29.498 5.704 1.00 0.00 O ATOM 1328 CB VAL A 80 -2.817 29.695 4.770 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -1.977 28.809 5.718 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -1.950 30.194 3.588 1.00 0.00 C ATOM 0 H VAL A 80 -4.411 30.661 3.060 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.801 27.998 3.844 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.155 30.564 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.093 29.358 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.575 28.539 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.670 27.904 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.066 30.701 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.644 29.345 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.529 30.888 2.980 1.00 0.00 H new ATOM 1340 N PHE A 81 -4.911 27.533 6.153 1.00 0.00 N ATOM 1341 CA PHE A 81 -5.812 27.115 7.262 1.00 0.00 C ATOM 1342 C PHE A 81 -5.753 28.067 8.477 1.00 0.00 C ATOM 1343 O PHE A 81 -6.546 27.944 9.414 1.00 0.00 O ATOM 1344 CB PHE A 81 -5.559 25.636 7.689 1.00 0.00 C ATOM 1345 CG PHE A 81 -4.246 25.331 8.425 1.00 0.00 C ATOM 1346 CD1 PHE A 81 -4.164 25.398 9.817 1.00 0.00 C ATOM 1347 CD2 PHE A 81 -3.111 24.931 7.731 1.00 0.00 C ATOM 1348 CE1 PHE A 81 -2.995 25.092 10.486 1.00 0.00 C ATOM 1349 CE2 PHE A 81 -1.944 24.617 8.402 1.00 0.00 C ATOM 1350 CZ PHE A 81 -1.885 24.697 9.777 1.00 0.00 C ATOM 0 H PHE A 81 -4.152 26.876 5.971 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.825 27.179 6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.385 25.323 8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.596 25.015 6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.034 25.696 10.383 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.141 24.865 6.653 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.953 25.163 11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.072 24.307 7.845 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.970 24.450 10.295 1.00 0.00 H new ATOM 1360 N LEU A 82 -4.804 29.001 8.452 1.00 0.00 N ATOM 1361 CA LEU A 82 -4.649 30.037 9.476 1.00 0.00 C ATOM 1362 C LEU A 82 -4.051 31.296 8.831 1.00 0.00 C ATOM 1363 O LEU A 82 -3.615 31.251 7.676 1.00 0.00 O ATOM 1364 CB LEU A 82 -3.755 29.501 10.640 1.00 0.00 C ATOM 1365 CG LEU A 82 -2.193 29.443 10.439 1.00 0.00 C ATOM 1366 CD1 LEU A 82 -1.482 29.020 11.745 1.00 0.00 C ATOM 1367 CD2 LEU A 82 -1.788 28.511 9.285 1.00 0.00 C ATOM 0 H LEU A 82 -4.109 29.062 7.708 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.619 30.298 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.951 30.118 11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.094 28.493 10.878 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.873 30.451 10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.405 28.988 11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.707 29.741 12.531 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.832 28.033 12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.703 28.505 9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.139 27.500 9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.235 28.866 8.356 1.00 0.00 H new ATOM 1379 N THR A 83 -4.052 32.423 9.559 1.00 0.00 N ATOM 1380 CA THR A 83 -3.356 33.646 9.112 1.00 0.00 C ATOM 1381 C THR A 83 -2.164 33.928 10.041 1.00 0.00 C ATOM 1382 O THR A 83 -1.871 33.126 10.935 1.00 0.00 O ATOM 1383 CB THR A 83 -4.324 34.878 9.006 1.00 0.00 C ATOM 1384 OG1 THR A 83 -3.709 35.921 8.229 1.00 0.00 O ATOM 1385 CG2 THR A 83 -4.724 35.455 10.371 1.00 0.00 C ATOM 0 H THR A 83 -4.525 32.516 10.458 1.00 0.00 H new ATOM 0 HA THR A 83 -2.980 33.478 8.103 1.00 0.00 H new ATOM 0 HB THR A 83 -5.230 34.512 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.319 36.685 8.166 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.393 36.303 10.226 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.232 34.688 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.831 35.784 10.903 1.00 0.00 H new ATOM 1393 N LYS A 84 -1.469 35.055 9.807 1.00 0.00 N ATOM 1394 CA LYS A 84 -0.259 35.440 10.557 1.00 0.00 C ATOM 1395 C LYS A 84 -0.541 35.591 12.069 1.00 0.00 C ATOM 1396 O LYS A 84 0.323 35.282 12.882 1.00 0.00 O ATOM 1397 CB LYS A 84 0.321 36.745 9.966 1.00 0.00 C ATOM 1398 CG LYS A 84 1.673 37.206 10.563 1.00 0.00 C ATOM 1399 CD LYS A 84 2.186 38.513 9.912 1.00 0.00 C ATOM 1400 CE LYS A 84 2.445 38.375 8.399 1.00 0.00 C ATOM 1401 NZ LYS A 84 2.907 39.650 7.789 1.00 0.00 N ATOM 0 H LYS A 84 -1.732 35.729 9.088 1.00 0.00 H new ATOM 0 HA LYS A 84 0.476 34.642 10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.445 36.612 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.409 37.542 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.561 37.357 11.637 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.415 36.419 10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.456 39.305 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.108 38.820 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.194 37.601 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.531 38.048 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.068 39.509 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.182 40.383 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.794 39.950 8.242 1.00 0.00 H new ATOM 1415 N ASP A 85 -1.762 36.053 12.421 1.00 0.00 N ATOM 1416 CA ASP A 85 -2.216 36.149 13.832 1.00 0.00 C ATOM 1417 C ASP A 85 -2.276 34.764 14.492 1.00 0.00 C ATOM 1418 O ASP A 85 -1.863 34.591 15.645 1.00 0.00 O ATOM 1419 CB ASP A 85 -3.603 36.825 13.941 1.00 0.00 C ATOM 1420 CG ASP A 85 -3.586 38.308 13.570 1.00 0.00 C ATOM 1421 OD1 ASP A 85 -3.229 39.135 14.436 1.00 0.00 O ATOM 1422 OD2 ASP A 85 -3.918 38.661 12.417 1.00 0.00 O ATOM 0 H ASP A 85 -2.457 36.368 11.744 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.484 36.765 14.355 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.305 36.303 13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.972 36.717 14.961 1.00 0.00 H new ATOM 1427 N GLU A 86 -2.807 33.778 13.760 1.00 0.00 N ATOM 1428 CA GLU A 86 -2.879 32.396 14.257 1.00 0.00 C ATOM 1429 C GLU A 86 -1.491 31.724 14.262 1.00 0.00 C ATOM 1430 O GLU A 86 -1.266 30.795 15.039 1.00 0.00 O ATOM 1431 CB GLU A 86 -3.890 31.547 13.472 1.00 0.00 C ATOM 1432 CG GLU A 86 -5.377 31.922 13.666 1.00 0.00 C ATOM 1433 CD GLU A 86 -5.868 33.088 12.813 1.00 0.00 C ATOM 1434 OE1 GLU A 86 -6.343 32.839 11.678 1.00 0.00 O ATOM 1435 OE2 GLU A 86 -5.798 34.246 13.271 1.00 0.00 O ATOM 0 H GLU A 86 -3.192 33.909 12.825 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.233 32.455 15.286 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.652 31.621 12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.758 30.503 13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.988 31.047 13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.540 32.166 14.716 1.00 0.00 H new ATOM 1442 N LEU A 87 -0.577 32.196 13.400 1.00 0.00 N ATOM 1443 CA LEU A 87 0.807 31.694 13.349 1.00 0.00 C ATOM 1444 C LEU A 87 1.590 32.145 14.595 1.00 0.00 C ATOM 1445 O LEU A 87 2.251 31.327 15.245 1.00 0.00 O ATOM 1446 CB LEU A 87 1.527 32.191 12.069 1.00 0.00 C ATOM 1447 CG LEU A 87 3.046 31.844 11.981 1.00 0.00 C ATOM 1448 CD1 LEU A 87 3.283 30.324 11.871 1.00 0.00 C ATOM 1449 CD2 LEU A 87 3.744 32.613 10.849 1.00 0.00 C ATOM 0 H LEU A 87 -0.774 32.932 12.722 1.00 0.00 H new ATOM 0 HA LEU A 87 0.769 30.605 13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.023 31.766 11.201 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.414 33.273 12.005 1.00 0.00 H new ATOM 0 HG LEU A 87 3.500 32.171 12.916 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.353 30.126 11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.870 29.827 12.749 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.794 29.943 10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.800 32.343 10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.280 32.358 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.648 33.685 11.024 1.00 0.00 H new ATOM 1461 N LYS A 88 1.508 33.457 14.916 1.00 0.00 N ATOM 1462 CA LYS A 88 2.272 34.045 16.035 1.00 0.00 C ATOM 1463 C LYS A 88 1.800 33.475 17.383 1.00 0.00 C ATOM 1464 O LYS A 88 2.633 33.168 18.232 1.00 0.00 O ATOM 1465 CB LYS A 88 2.278 35.618 15.991 1.00 0.00 C ATOM 1466 CG LYS A 88 0.906 36.321 15.798 1.00 0.00 C ATOM 1467 CD LYS A 88 0.081 36.543 17.089 1.00 0.00 C ATOM 1468 CE LYS A 88 0.666 37.626 17.991 1.00 0.00 C ATOM 1469 NZ LYS A 88 -0.220 37.934 19.147 1.00 0.00 N ATOM 0 H LYS A 88 0.921 34.125 14.416 1.00 0.00 H new ATOM 0 HA LYS A 88 3.315 33.751 15.919 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.718 35.982 16.920 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.937 35.932 15.182 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.077 37.289 15.326 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.309 35.729 15.104 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.940 36.815 16.819 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.026 35.606 17.644 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.640 37.304 18.358 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.829 38.533 17.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.217 38.674 19.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.142 38.267 18.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.355 37.076 19.719 1.00 0.00 H new ATOM 1483 N GLU A 89 0.467 33.271 17.546 1.00 0.00 N ATOM 1484 CA GLU A 89 -0.093 32.652 18.773 1.00 0.00 C ATOM 1485 C GLU A 89 0.277 31.159 18.851 1.00 0.00 C ATOM 1486 O GLU A 89 0.463 30.630 19.939 1.00 0.00 O ATOM 1487 CB GLU A 89 -1.638 32.813 18.869 1.00 0.00 C ATOM 1488 CG GLU A 89 -2.433 32.043 17.796 1.00 0.00 C ATOM 1489 CD GLU A 89 -3.904 31.796 18.156 1.00 0.00 C ATOM 1490 OE1 GLU A 89 -4.716 32.741 18.082 1.00 0.00 O ATOM 1491 OE2 GLU A 89 -4.248 30.653 18.538 1.00 0.00 O ATOM 0 H GLU A 89 -0.233 33.524 16.849 1.00 0.00 H new ATOM 0 HA GLU A 89 0.350 33.182 19.616 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.964 32.478 19.854 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.885 33.872 18.795 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.389 32.599 16.859 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.948 31.083 17.620 1.00 0.00 H new ATOM 1498 N TYR A 90 0.370 30.492 17.681 1.00 0.00 N ATOM 1499 CA TYR A 90 0.739 29.066 17.591 1.00 0.00 C ATOM 1500 C TYR A 90 2.198 28.859 18.024 1.00 0.00 C ATOM 1501 O TYR A 90 2.498 27.941 18.787 1.00 0.00 O ATOM 1502 CB TYR A 90 0.508 28.537 16.151 1.00 0.00 C ATOM 1503 CG TYR A 90 0.965 27.091 15.914 1.00 0.00 C ATOM 1504 CD1 TYR A 90 0.364 26.021 16.589 1.00 0.00 C ATOM 1505 CD2 TYR A 90 2.013 26.797 15.033 1.00 0.00 C ATOM 1506 CE1 TYR A 90 0.788 24.719 16.388 1.00 0.00 C ATOM 1507 CE2 TYR A 90 2.439 25.495 14.834 1.00 0.00 C ATOM 1508 CZ TYR A 90 1.823 24.458 15.514 1.00 0.00 C ATOM 1509 OH TYR A 90 2.248 23.155 15.321 1.00 0.00 O ATOM 0 H TYR A 90 0.192 30.927 16.776 1.00 0.00 H new ATOM 0 HA TYR A 90 0.101 28.498 18.268 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.554 28.610 15.919 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.033 29.188 15.452 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.444 26.215 17.278 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.498 27.601 14.499 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.309 23.907 16.915 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.249 25.289 14.150 1.00 0.00 H new ATOM 0 HH TYR A 90 2.984 23.143 14.674 1.00 0.00 H new ATOM 1519 N MET A 91 3.090 29.742 17.556 1.00 0.00 N ATOM 1520 CA MET A 91 4.521 29.666 17.883 1.00 0.00 C ATOM 1521 C MET A 91 4.756 30.046 19.354 1.00 0.00 C ATOM 1522 O MET A 91 5.543 29.390 20.043 1.00 0.00 O ATOM 1523 CB MET A 91 5.356 30.547 16.920 1.00 0.00 C ATOM 1524 CG MET A 91 5.362 30.051 15.459 1.00 0.00 C ATOM 1525 SD MET A 91 6.472 30.997 14.390 1.00 0.00 S ATOM 1526 CE MET A 91 5.758 32.639 14.467 1.00 0.00 C ATOM 0 H MET A 91 2.844 30.522 16.946 1.00 0.00 H new ATOM 0 HA MET A 91 4.855 28.637 17.749 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.966 31.565 16.945 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.383 30.590 17.282 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.656 29.002 15.440 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.349 30.106 15.059 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.809 33.105 13.483 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.717 32.569 14.781 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.313 33.244 15.184 1.00 0.00 H new ATOM 1536 N LYS A 92 4.032 31.078 19.846 1.00 0.00 N ATOM 1537 CA LYS A 92 4.102 31.477 21.269 1.00 0.00 C ATOM 1538 C LYS A 92 3.501 30.385 22.168 1.00 0.00 C ATOM 1539 O LYS A 92 3.961 30.197 23.289 1.00 0.00 O ATOM 1540 CB LYS A 92 3.422 32.847 21.554 1.00 0.00 C ATOM 1541 CG LYS A 92 4.023 34.091 20.837 1.00 0.00 C ATOM 1542 CD LYS A 92 5.558 34.303 21.043 1.00 0.00 C ATOM 1543 CE LYS A 92 6.418 33.741 19.886 1.00 0.00 C ATOM 1544 NZ LYS A 92 7.870 33.945 20.117 1.00 0.00 N ATOM 0 H LYS A 92 3.398 31.645 19.283 1.00 0.00 H new ATOM 0 HA LYS A 92 5.160 31.597 21.503 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.371 32.769 21.276 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.455 33.026 22.629 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.825 34.005 19.769 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.500 34.980 21.188 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.759 35.369 21.150 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.861 33.826 21.975 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.216 32.676 19.770 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.129 34.224 18.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.407 33.553 19.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.068 34.962 20.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.153 33.462 20.994 1.00 0.00 H new ATOM 1558 N SER A 93 2.505 29.645 21.637 1.00 0.00 N ATOM 1559 CA SER A 93 1.854 28.517 22.340 1.00 0.00 C ATOM 1560 C SER A 93 2.875 27.413 22.665 1.00 0.00 C ATOM 1561 O SER A 93 2.932 26.911 23.791 1.00 0.00 O ATOM 1562 CB SER A 93 0.705 27.938 21.476 1.00 0.00 C ATOM 1563 OG SER A 93 0.065 26.836 22.099 1.00 0.00 O ATOM 0 H SER A 93 2.127 29.813 20.704 1.00 0.00 H new ATOM 0 HA SER A 93 1.441 28.892 23.276 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.030 28.719 21.282 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.102 27.626 20.510 1.00 0.00 H new ATOM 0 HG SER A 93 -0.653 26.504 21.520 1.00 0.00 H new ATOM 1798 N LYS A 106 15.763 29.957 11.384 1.00 0.00 N ATOM 1799 CA LYS A 106 14.530 29.790 10.597 1.00 0.00 C ATOM 1800 C LYS A 106 14.123 28.296 10.543 1.00 0.00 C ATOM 1801 O LYS A 106 14.813 27.423 11.089 1.00 0.00 O ATOM 1802 CB LYS A 106 14.719 30.355 9.153 1.00 0.00 C ATOM 1803 CG LYS A 106 15.496 29.441 8.164 1.00 0.00 C ATOM 1804 CD LYS A 106 17.011 29.313 8.432 1.00 0.00 C ATOM 1805 CE LYS A 106 17.781 30.603 8.122 1.00 0.00 C ATOM 1806 NZ LYS A 106 17.559 31.070 6.724 1.00 0.00 N ATOM 0 HA LYS A 106 13.732 30.351 11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.735 30.560 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.241 31.309 9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 106 15.054 28.445 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 106 15.354 29.824 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.169 29.043 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 106 17.415 28.500 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 106 17.473 31.384 8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 106 18.846 30.436 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 18.432 31.501 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.296 30.261 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.794 31.774 6.711 1.00 0.00 H new ATOM 1820 N LYS A 107 13.013 28.022 9.857 1.00 0.00 N ATOM 1821 CA LYS A 107 12.554 26.657 9.562 1.00 0.00 C ATOM 1822 C LYS A 107 12.070 26.625 8.126 1.00 0.00 C ATOM 1823 O LYS A 107 11.460 27.588 7.661 1.00 0.00 O ATOM 1824 CB LYS A 107 11.415 26.244 10.537 1.00 0.00 C ATOM 1825 CG LYS A 107 10.807 24.810 10.383 1.00 0.00 C ATOM 1826 CD LYS A 107 11.715 23.660 10.924 1.00 0.00 C ATOM 1827 CE LYS A 107 12.769 23.154 9.919 1.00 0.00 C ATOM 1828 NZ LYS A 107 13.665 22.138 10.518 1.00 0.00 N ATOM 0 H LYS A 107 12.398 28.746 9.485 1.00 0.00 H new ATOM 0 HA LYS A 107 13.371 25.948 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.794 26.340 11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.604 26.965 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.851 24.777 10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.601 24.628 9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.225 24.008 11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.083 22.823 11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.267 22.727 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.363 23.996 9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.358 21.825 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.165 22.552 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.102 21.323 10.836 1.00 0.00 H new ATOM 1842 N LEU A 108 12.367 25.535 7.417 1.00 0.00 N ATOM 1843 CA LEU A 108 11.849 25.306 6.061 1.00 0.00 C ATOM 1844 C LEU A 108 10.391 24.851 6.200 1.00 0.00 C ATOM 1845 O LEU A 108 10.115 23.682 6.466 1.00 0.00 O ATOM 1846 CB LEU A 108 12.718 24.253 5.279 1.00 0.00 C ATOM 1847 CG LEU A 108 12.614 24.228 3.703 1.00 0.00 C ATOM 1848 CD1 LEU A 108 11.208 23.869 3.179 1.00 0.00 C ATOM 1849 CD2 LEU A 108 13.108 25.551 3.090 1.00 0.00 C ATOM 0 H LEU A 108 12.970 24.788 7.761 1.00 0.00 H new ATOM 0 HA LEU A 108 11.901 26.224 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.762 24.421 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.452 23.262 5.647 1.00 0.00 H new ATOM 0 HG LEU A 108 13.272 23.422 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 108 11.214 23.872 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.928 22.879 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.487 24.603 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.024 25.503 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.501 26.375 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.150 25.713 3.366 1.00 0.00 H new ATOM 1861 N TRP A 109 9.469 25.802 6.089 1.00 0.00 N ATOM 1862 CA TRP A 109 8.035 25.517 6.019 1.00 0.00 C ATOM 1863 C TRP A 109 7.663 25.193 4.563 1.00 0.00 C ATOM 1864 O TRP A 109 8.336 25.622 3.618 1.00 0.00 O ATOM 1865 CB TRP A 109 7.203 26.712 6.535 1.00 0.00 C ATOM 1866 CG TRP A 109 7.390 27.061 7.993 1.00 0.00 C ATOM 1867 CD1 TRP A 109 8.518 27.548 8.569 1.00 0.00 C ATOM 1868 CD2 TRP A 109 6.407 27.001 9.041 1.00 0.00 C ATOM 1869 NE1 TRP A 109 8.322 27.771 9.901 1.00 0.00 N ATOM 1870 CE2 TRP A 109 7.031 27.451 10.219 1.00 0.00 C ATOM 1871 CE3 TRP A 109 5.062 26.618 9.096 1.00 0.00 C ATOM 1872 CZ2 TRP A 109 6.366 27.524 11.442 1.00 0.00 C ATOM 1873 CZ3 TRP A 109 4.399 26.690 10.312 1.00 0.00 C ATOM 1874 CH2 TRP A 109 5.051 27.147 11.470 1.00 0.00 C ATOM 0 H TRP A 109 9.693 26.796 6.045 1.00 0.00 H new ATOM 0 HA TRP A 109 7.810 24.662 6.657 1.00 0.00 H new ATOM 0 HB2 TRP A 109 7.450 27.589 5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 109 6.148 26.497 6.365 1.00 0.00 H new ATOM 0 HD1 TRP A 109 9.444 27.734 8.045 1.00 0.00 H new ATOM 0 HE1 TRP A 109 9.024 28.120 10.553 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.551 26.273 8.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 6.870 27.865 12.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 3.363 26.390 10.370 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.504 27.202 12.400 1.00 0.00 H new ATOM 1885 N MET A 110 6.577 24.452 4.398 1.00 0.00 N ATOM 1886 CA MET A 110 6.087 24.008 3.090 1.00 0.00 C ATOM 1887 C MET A 110 4.574 24.191 3.053 1.00 0.00 C ATOM 1888 O MET A 110 3.866 23.747 3.950 1.00 0.00 O ATOM 1889 CB MET A 110 6.501 22.526 2.838 1.00 0.00 C ATOM 1890 CG MET A 110 6.307 21.588 4.040 1.00 0.00 C ATOM 1891 SD MET A 110 6.665 19.856 3.672 1.00 0.00 S ATOM 1892 CE MET A 110 5.288 19.423 2.613 1.00 0.00 C ATOM 0 H MET A 110 5.999 24.135 5.177 1.00 0.00 H new ATOM 0 HA MET A 110 6.530 24.604 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.924 22.140 1.998 1.00 0.00 H new ATOM 0 HB3 MET A 110 7.550 22.502 2.542 1.00 0.00 H new ATOM 0 HG2 MET A 110 6.951 21.918 4.855 1.00 0.00 H new ATOM 0 HG3 MET A 110 5.279 21.671 4.392 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.633 18.725 3.135 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.729 20.323 2.357 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.662 18.957 1.701 1.00 0.00 H new ATOM 1902 N ALA A 111 4.090 24.840 1.998 1.00 0.00 N ATOM 1903 CA ALA A 111 2.676 25.165 1.844 1.00 0.00 C ATOM 1904 C ALA A 111 2.053 24.222 0.817 1.00 0.00 C ATOM 1905 O ALA A 111 2.200 24.420 -0.391 1.00 0.00 O ATOM 1906 CB ALA A 111 2.537 26.633 1.421 1.00 0.00 C ATOM 0 H ALA A 111 4.671 25.157 1.222 1.00 0.00 H new ATOM 0 HA ALA A 111 2.148 25.034 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.482 26.880 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.978 27.275 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.053 26.789 0.473 1.00 0.00 H new ATOM 1912 N ILE A 112 1.350 23.206 1.317 1.00 0.00 N ATOM 1913 CA ILE A 112 0.698 22.196 0.476 1.00 0.00 C ATOM 1914 C ILE A 112 -0.641 22.772 0.002 1.00 0.00 C ATOM 1915 O ILE A 112 -1.518 23.016 0.830 1.00 0.00 O ATOM 1916 CB ILE A 112 0.446 20.855 1.270 1.00 0.00 C ATOM 1917 CG1 ILE A 112 1.718 20.416 2.067 1.00 0.00 C ATOM 1918 CG2 ILE A 112 -0.030 19.730 0.323 1.00 0.00 C ATOM 1919 CD1 ILE A 112 1.497 19.221 2.994 1.00 0.00 C ATOM 0 H ILE A 112 1.215 23.058 2.317 1.00 0.00 H new ATOM 0 HA ILE A 112 1.346 21.960 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.347 21.045 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.509 20.170 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.071 21.260 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.196 18.818 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.960 20.030 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.730 19.548 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.428 18.982 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.730 19.467 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.175 18.360 2.408 1.00 0.00 H new ATOM 1931 N GLU A 113 -0.793 23.008 -1.310 1.00 0.00 N ATOM 1932 CA GLU A 113 -2.014 23.637 -1.845 1.00 0.00 C ATOM 1933 C GLU A 113 -3.126 22.578 -1.978 1.00 0.00 C ATOM 1934 O GLU A 113 -3.094 21.742 -2.864 1.00 0.00 O ATOM 1935 CB GLU A 113 -1.719 24.349 -3.197 1.00 0.00 C ATOM 1936 CG GLU A 113 -2.949 25.008 -3.864 1.00 0.00 C ATOM 1937 CD GLU A 113 -2.594 25.849 -5.104 1.00 0.00 C ATOM 1938 OE1 GLU A 113 -2.532 25.299 -6.230 1.00 0.00 O ATOM 1939 OE2 GLU A 113 -2.359 27.069 -4.959 1.00 0.00 O ATOM 0 H GLU A 113 -0.094 22.776 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.361 24.404 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.960 25.113 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.294 23.622 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.657 24.231 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.452 25.643 -3.135 1.00 0.00 H new ATOM 1946 N LEU A 114 -4.069 22.578 -1.038 1.00 0.00 N ATOM 1947 CA LEU A 114 -5.208 21.643 -1.038 1.00 0.00 C ATOM 1948 C LEU A 114 -6.364 22.196 -1.884 1.00 0.00 C ATOM 1949 O LEU A 114 -7.011 23.157 -1.501 1.00 0.00 O ATOM 1950 CB LEU A 114 -5.664 21.346 0.431 1.00 0.00 C ATOM 1951 CG LEU A 114 -4.920 20.176 1.132 1.00 0.00 C ATOM 1952 CD1 LEU A 114 -5.096 18.895 0.322 1.00 0.00 C ATOM 1953 CD2 LEU A 114 -3.432 20.472 1.366 1.00 0.00 C ATOM 0 H LEU A 114 -4.071 23.226 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.892 20.703 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.529 22.249 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.731 21.125 0.425 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.366 20.050 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.573 18.077 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.157 18.655 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.685 19.037 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.964 19.619 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.942 20.652 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.332 21.355 1.997 1.00 0.00 H new ATOM 1965 N GLU A 115 -6.607 21.579 -3.041 1.00 0.00 N ATOM 1966 CA GLU A 115 -7.769 21.896 -3.886 1.00 0.00 C ATOM 1967 C GLU A 115 -8.794 20.758 -3.792 1.00 0.00 C ATOM 1968 O GLU A 115 -8.533 19.741 -3.140 1.00 0.00 O ATOM 1969 CB GLU A 115 -7.330 22.106 -5.359 1.00 0.00 C ATOM 1970 CG GLU A 115 -6.969 20.809 -6.139 1.00 0.00 C ATOM 1971 CD GLU A 115 -7.315 20.906 -7.633 1.00 0.00 C ATOM 1972 OE1 GLU A 115 -8.478 21.243 -7.946 1.00 0.00 O ATOM 1973 OE2 GLU A 115 -6.454 20.654 -8.499 1.00 0.00 O ATOM 0 H GLU A 115 -6.008 20.846 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.225 22.821 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.133 22.618 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -6.466 22.770 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.904 20.607 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.501 19.965 -5.700 1.00 0.00 H new ATOM 1980 N ASP A 116 -9.965 20.961 -4.425 1.00 0.00 N ATOM 1981 CA ASP A 116 -10.951 19.889 -4.712 1.00 0.00 C ATOM 1982 C ASP A 116 -11.452 19.219 -3.407 1.00 0.00 C ATOM 1983 O ASP A 116 -11.743 18.016 -3.364 1.00 0.00 O ATOM 1984 CB ASP A 116 -10.308 18.860 -5.714 1.00 0.00 C ATOM 1985 CG ASP A 116 -11.306 17.863 -6.322 1.00 0.00 C ATOM 1986 OD1 ASP A 116 -12.174 18.294 -7.116 1.00 0.00 O ATOM 1987 OD2 ASP A 116 -11.249 16.652 -6.013 1.00 0.00 O ATOM 0 H ASP A 116 -10.260 21.879 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.836 20.319 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.824 19.410 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.527 18.304 -5.195 1.00 0.00 H new ATOM 1992 N VAL A 117 -11.579 20.038 -2.344 1.00 0.00 N ATOM 1993 CA VAL A 117 -11.864 19.542 -0.993 1.00 0.00 C ATOM 1994 C VAL A 117 -13.308 19.006 -0.884 1.00 0.00 C ATOM 1995 O VAL A 117 -14.279 19.775 -0.822 1.00 0.00 O ATOM 1996 CB VAL A 117 -11.597 20.618 0.118 1.00 0.00 C ATOM 1997 CG1 VAL A 117 -11.726 19.989 1.520 1.00 0.00 C ATOM 1998 CG2 VAL A 117 -10.209 21.294 -0.047 1.00 0.00 C ATOM 0 H VAL A 117 -11.487 21.052 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.170 18.719 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.353 21.395 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.538 20.749 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.732 19.590 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.000 19.183 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.067 22.031 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.426 20.538 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.158 21.788 -1.017 1.00 0.00 H new ATOM 2008 N LYS A 118 -13.413 17.672 -0.899 1.00 0.00 N ATOM 2009 CA LYS A 118 -14.679 16.937 -0.807 1.00 0.00 C ATOM 2010 C LYS A 118 -15.098 16.776 0.662 1.00 0.00 C ATOM 2011 O LYS A 118 -14.257 16.780 1.565 1.00 0.00 O ATOM 2012 CB LYS A 118 -14.529 15.527 -1.487 1.00 0.00 C ATOM 2013 CG LYS A 118 -15.653 15.154 -2.480 1.00 0.00 C ATOM 2014 CD LYS A 118 -15.695 16.097 -3.704 1.00 0.00 C ATOM 2015 CE LYS A 118 -14.376 16.094 -4.511 1.00 0.00 C ATOM 2016 NZ LYS A 118 -14.394 17.079 -5.618 1.00 0.00 N ATOM 0 H LYS A 118 -12.601 17.060 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 118 -15.453 17.502 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.575 15.495 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.488 14.767 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.508 14.128 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -16.614 15.187 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -16.515 15.800 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -15.907 17.112 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -13.543 16.316 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -14.203 15.097 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -13.744 16.770 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -15.357 17.151 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -14.093 18.008 -5.261 1.00 0.00 H new ATOM 2030 N LYS A 119 -16.406 16.619 0.868 1.00 0.00 N ATOM 2031 CA LYS A 119 -17.006 16.343 2.185 1.00 0.00 C ATOM 2032 C LYS A 119 -17.557 14.911 2.223 1.00 0.00 C ATOM 2033 O LYS A 119 -18.191 14.450 1.268 1.00 0.00 O ATOM 2034 CB LYS A 119 -18.136 17.381 2.501 1.00 0.00 C ATOM 2035 CG LYS A 119 -17.678 18.599 3.342 1.00 0.00 C ATOM 2036 CD LYS A 119 -17.300 18.223 4.802 1.00 0.00 C ATOM 2037 CE LYS A 119 -18.403 17.459 5.549 1.00 0.00 C ATOM 2038 NZ LYS A 119 -18.064 17.235 6.973 1.00 0.00 N ATOM 0 H LYS A 119 -17.093 16.680 0.117 1.00 0.00 H new ATOM 0 HA LYS A 119 -16.235 16.438 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.553 17.742 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -18.941 16.872 3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.819 19.064 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -18.475 19.342 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.395 17.616 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.064 19.134 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -19.337 18.017 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.571 16.498 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.936 17.068 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.441 16.406 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.577 18.073 7.350 1.00 0.00 H new ATOM 2052 N TYR A 120 -17.293 14.213 3.334 1.00 0.00 N ATOM 2053 CA TYR A 120 -17.924 12.924 3.644 1.00 0.00 C ATOM 2054 C TYR A 120 -19.196 13.173 4.460 1.00 0.00 C ATOM 2055 O TYR A 120 -19.168 13.238 5.695 1.00 0.00 O ATOM 2056 CB TYR A 120 -16.956 11.981 4.397 1.00 0.00 C ATOM 2057 CG TYR A 120 -15.735 11.508 3.588 1.00 0.00 C ATOM 2058 CD1 TYR A 120 -15.788 11.295 2.204 1.00 0.00 C ATOM 2059 CD2 TYR A 120 -14.526 11.259 4.221 1.00 0.00 C ATOM 2060 CE1 TYR A 120 -14.677 10.837 1.510 1.00 0.00 C ATOM 2061 CE2 TYR A 120 -13.420 10.811 3.536 1.00 0.00 C ATOM 2062 CZ TYR A 120 -13.494 10.606 2.186 1.00 0.00 C ATOM 2063 OH TYR A 120 -12.386 10.142 1.512 1.00 0.00 O ATOM 0 H TYR A 120 -16.634 14.527 4.046 1.00 0.00 H new ATOM 0 HA TYR A 120 -18.184 12.426 2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -16.602 12.491 5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -17.513 11.105 4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -16.706 11.490 1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -14.450 11.422 5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -14.737 10.662 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -12.496 10.622 4.063 1.00 0.00 H new ATOM 0 HH TYR A 120 -12.485 10.325 0.554 1.00 0.00 H new ATOM 2073 N ASP A 121 -20.294 13.397 3.726 1.00 0.00 N ATOM 2074 CA ASP A 121 -21.657 13.496 4.281 1.00 0.00 C ATOM 2075 C ASP A 121 -22.118 12.106 4.766 1.00 0.00 C ATOM 2076 O ASP A 121 -22.942 11.986 5.678 1.00 0.00 O ATOM 2077 CB ASP A 121 -22.618 14.047 3.196 1.00 0.00 C ATOM 2078 CG ASP A 121 -22.161 15.399 2.612 1.00 0.00 C ATOM 2079 OD1 ASP A 121 -21.254 15.409 1.751 1.00 0.00 O ATOM 2080 OD2 ASP A 121 -22.703 16.457 3.011 1.00 0.00 O ATOM 0 H ASP A 121 -20.263 13.517 2.714 1.00 0.00 H new ATOM 0 HA ASP A 121 -21.663 14.179 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -22.701 13.319 2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -23.613 14.161 3.625 1.00 0.00 H new ATOM 2085 N LYS A 122 -21.557 11.063 4.117 1.00 0.00 N ATOM 2086 CA LYS A 122 -21.713 9.659 4.515 1.00 0.00 C ATOM 2087 C LYS A 122 -20.727 9.334 5.671 1.00 0.00 C ATOM 2088 O LYS A 122 -19.568 9.777 5.639 1.00 0.00 O ATOM 2089 CB LYS A 122 -21.448 8.730 3.286 1.00 0.00 C ATOM 2090 CG LYS A 122 -20.059 8.901 2.611 1.00 0.00 C ATOM 2091 CD LYS A 122 -19.862 8.037 1.333 1.00 0.00 C ATOM 2092 CE LYS A 122 -20.659 8.534 0.099 1.00 0.00 C ATOM 2093 NZ LYS A 122 -22.134 8.395 0.234 1.00 0.00 N ATOM 0 H LYS A 122 -20.974 11.182 3.288 1.00 0.00 H new ATOM 0 HA LYS A 122 -22.731 9.488 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -21.553 7.693 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -22.221 8.913 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.920 9.951 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.283 8.645 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -18.801 8.017 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.157 7.011 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -20.418 9.582 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.331 7.979 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.535 8.064 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -22.351 7.707 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.548 9.317 0.480 1.00 0.00 H new ATOM 2107 N PRO A 123 -21.175 8.575 6.722 1.00 0.00 N ATOM 2108 CA PRO A 123 -20.305 8.181 7.854 1.00 0.00 C ATOM 2109 C PRO A 123 -19.343 7.028 7.468 1.00 0.00 C ATOM 2110 O PRO A 123 -19.721 5.847 7.468 1.00 0.00 O ATOM 2111 CB PRO A 123 -21.328 7.769 8.946 1.00 0.00 C ATOM 2112 CG PRO A 123 -22.512 7.258 8.178 1.00 0.00 C ATOM 2113 CD PRO A 123 -22.564 8.064 6.893 1.00 0.00 C ATOM 0 HA PRO A 123 -19.636 8.975 8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -20.920 7.001 9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -21.599 8.616 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -22.408 6.194 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -23.431 7.381 8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -22.867 7.446 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -23.282 8.881 6.965 1.00 0.00 H new ATOM 2121 N ILE A 124 -18.108 7.395 7.078 1.00 0.00 N ATOM 2122 CA ILE A 124 -17.058 6.422 6.724 1.00 0.00 C ATOM 2123 C ILE A 124 -16.277 6.015 7.984 1.00 0.00 C ATOM 2124 O ILE A 124 -15.806 6.870 8.745 1.00 0.00 O ATOM 2125 CB ILE A 124 -16.076 6.982 5.623 1.00 0.00 C ATOM 2126 CG1 ILE A 124 -16.880 7.372 4.337 1.00 0.00 C ATOM 2127 CG2 ILE A 124 -14.942 5.964 5.294 1.00 0.00 C ATOM 2128 CD1 ILE A 124 -16.034 7.778 3.144 1.00 0.00 C ATOM 0 H ILE A 124 -17.811 8.368 7.000 1.00 0.00 H new ATOM 0 HA ILE A 124 -17.547 5.545 6.301 1.00 0.00 H new ATOM 0 HB ILE A 124 -15.594 7.877 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -17.505 6.527 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -17.551 8.195 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -14.286 6.384 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -14.366 5.757 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -15.381 5.037 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -16.684 8.029 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -15.428 8.646 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -15.381 6.952 2.863 1.00 0.00 H new ATOM 2140 N LYS A 125 -16.167 4.694 8.189 1.00 0.00 N ATOM 2141 CA LYS A 125 -15.463 4.101 9.331 1.00 0.00 C ATOM 2142 C LYS A 125 -13.964 3.968 8.984 1.00 0.00 C ATOM 2143 O LYS A 125 -13.631 3.447 7.914 1.00 0.00 O ATOM 2144 CB LYS A 125 -16.070 2.706 9.696 1.00 0.00 C ATOM 2145 CG LYS A 125 -17.457 2.744 10.397 1.00 0.00 C ATOM 2146 CD LYS A 125 -18.608 3.287 9.513 1.00 0.00 C ATOM 2147 CE LYS A 125 -18.883 2.422 8.269 1.00 0.00 C ATOM 2148 NZ LYS A 125 -19.946 2.999 7.409 1.00 0.00 N ATOM 0 H LYS A 125 -16.570 4.001 7.558 1.00 0.00 H new ATOM 0 HA LYS A 125 -15.579 4.748 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -16.160 2.118 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -15.368 2.182 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -17.712 1.736 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -17.381 3.361 11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -19.517 3.350 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -18.365 4.301 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -17.965 2.319 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -19.176 1.420 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -19.830 2.653 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -20.878 2.712 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -19.875 4.037 7.419 1.00 0.00 H new ATOM 2162 N PRO A 126 -13.039 4.457 9.865 1.00 0.00 N ATOM 2163 CA PRO A 126 -11.583 4.385 9.611 1.00 0.00 C ATOM 2164 C PRO A 126 -11.014 2.957 9.640 1.00 0.00 C ATOM 2165 O PRO A 126 -11.528 2.081 10.341 1.00 0.00 O ATOM 2166 CB PRO A 126 -10.970 5.274 10.719 1.00 0.00 C ATOM 2167 CG PRO A 126 -11.998 5.325 11.809 1.00 0.00 C ATOM 2168 CD PRO A 126 -13.344 5.157 11.144 1.00 0.00 C ATOM 0 HA PRO A 126 -11.341 4.724 8.604 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.032 4.855 11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.748 6.273 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -11.826 4.535 12.540 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.947 6.273 12.345 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -14.024 4.573 11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.822 6.120 10.966 1.00 0.00 H new ATOM 2176 N LYS A 127 -9.948 2.752 8.847 1.00 0.00 N ATOM 2177 CA LYS A 127 -9.156 1.507 8.841 1.00 0.00 C ATOM 2178 C LYS A 127 -8.405 1.382 10.182 1.00 0.00 C ATOM 2179 O LYS A 127 -8.294 0.290 10.751 1.00 0.00 O ATOM 2180 CB LYS A 127 -8.183 1.514 7.602 1.00 0.00 C ATOM 2181 CG LYS A 127 -7.420 0.185 7.297 1.00 0.00 C ATOM 2182 CD LYS A 127 -6.190 -0.059 8.217 1.00 0.00 C ATOM 2183 CE LYS A 127 -5.459 -1.378 7.920 1.00 0.00 C ATOM 2184 NZ LYS A 127 -4.378 -1.651 8.907 1.00 0.00 N ATOM 0 H LYS A 127 -9.608 3.451 8.186 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.802 0.635 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.761 1.784 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -7.445 2.302 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.111 -0.652 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.088 0.198 6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -5.491 0.769 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.517 -0.060 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.175 -2.200 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -5.033 -1.339 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.911 -2.549 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.680 -0.880 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -4.787 -1.714 9.861 1.00 0.00 H new ATOM 2198 N ARG A 128 -7.916 2.530 10.678 1.00 0.00 N ATOM 2199 CA ARG A 128 -7.094 2.605 11.890 1.00 0.00 C ATOM 2200 C ARG A 128 -7.219 3.978 12.555 1.00 0.00 C ATOM 2201 O ARG A 128 -7.868 4.890 12.029 1.00 0.00 O ATOM 2202 CB ARG A 128 -5.605 2.333 11.542 1.00 0.00 C ATOM 2203 CG ARG A 128 -4.944 3.372 10.588 1.00 0.00 C ATOM 2204 CD ARG A 128 -3.414 3.267 10.592 1.00 0.00 C ATOM 2205 NE ARG A 128 -2.876 3.619 11.926 1.00 0.00 N ATOM 2206 CZ ARG A 128 -2.222 2.797 12.757 1.00 0.00 C ATOM 2207 NH1 ARG A 128 -1.948 1.546 12.403 1.00 0.00 N ATOM 2208 NH2 ARG A 128 -1.864 3.231 13.952 1.00 0.00 N ATOM 0 H ARG A 128 -8.083 3.438 10.244 1.00 0.00 H new ATOM 0 HA ARG A 128 -7.452 1.847 12.587 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.033 2.300 12.469 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -5.530 1.346 11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -5.315 3.220 9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.239 4.378 10.888 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.112 2.254 10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.995 3.932 9.837 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.017 4.579 12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.236 1.200 11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.449 0.932 13.046 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.086 4.185 14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.366 2.612 14.591 1.00 0.00 H new ATOM 2222 N LEU A 129 -6.561 4.094 13.713 1.00 0.00 N ATOM 2223 CA LEU A 129 -6.403 5.354 14.431 1.00 0.00 C ATOM 2224 C LEU A 129 -5.322 6.170 13.710 1.00 0.00 C ATOM 2225 O LEU A 129 -4.181 5.712 13.575 1.00 0.00 O ATOM 2226 CB LEU A 129 -6.009 5.078 15.924 1.00 0.00 C ATOM 2227 CG LEU A 129 -6.443 6.146 16.983 1.00 0.00 C ATOM 2228 CD1 LEU A 129 -5.795 7.529 16.764 1.00 0.00 C ATOM 2229 CD2 LEU A 129 -7.981 6.244 17.045 1.00 0.00 C ATOM 0 H LEU A 129 -6.119 3.303 14.181 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.338 5.914 14.442 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.437 4.119 16.215 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.925 4.972 15.974 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.071 5.802 17.948 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -6.141 8.219 17.534 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.710 7.436 16.821 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.075 7.911 15.782 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.268 6.990 17.786 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.367 6.535 16.068 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.396 5.276 17.325 1.00 0.00 H new ATOM 2241 N VAL A 130 -5.707 7.346 13.204 1.00 0.00 N ATOM 2242 CA VAL A 130 -4.771 8.309 12.607 1.00 0.00 C ATOM 2243 C VAL A 130 -4.446 9.391 13.665 1.00 0.00 C ATOM 2244 O VAL A 130 -5.271 10.281 13.909 1.00 0.00 O ATOM 2245 CB VAL A 130 -5.360 8.955 11.292 1.00 0.00 C ATOM 2246 CG1 VAL A 130 -4.393 9.994 10.657 1.00 0.00 C ATOM 2247 CG2 VAL A 130 -5.768 7.860 10.268 1.00 0.00 C ATOM 0 H VAL A 130 -6.678 7.659 13.196 1.00 0.00 H new ATOM 0 HA VAL A 130 -3.858 7.792 12.314 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.258 9.502 11.580 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -4.845 10.409 9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -4.202 10.797 11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -3.453 9.506 10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.171 8.332 9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -4.894 7.265 10.004 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.526 7.214 10.709 1.00 0.00 H new ATOM 2257 N PRO A 131 -3.250 9.302 14.349 1.00 0.00 N ATOM 2258 CA PRO A 131 -2.837 10.268 15.410 1.00 0.00 C ATOM 2259 C PRO A 131 -2.610 11.694 14.857 1.00 0.00 C ATOM 2260 O PRO A 131 -2.713 11.917 13.651 1.00 0.00 O ATOM 2261 CB PRO A 131 -1.519 9.647 15.956 1.00 0.00 C ATOM 2262 CG PRO A 131 -0.985 8.850 14.809 1.00 0.00 C ATOM 2263 CD PRO A 131 -2.210 8.254 14.152 1.00 0.00 C ATOM 0 HA PRO A 131 -3.602 10.400 16.175 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -0.814 10.418 16.267 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -1.706 9.017 16.826 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -0.430 9.480 14.114 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -0.301 8.073 15.151 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -2.040 8.050 13.095 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -2.497 7.311 14.617 1.00 0.00 H new ATOM 2271 N VAL A 132 -2.278 12.635 15.763 1.00 0.00 N ATOM 2272 CA VAL A 132 -2.082 14.073 15.434 1.00 0.00 C ATOM 2273 C VAL A 132 -0.952 14.278 14.386 1.00 0.00 C ATOM 2274 O VAL A 132 -1.052 15.152 13.517 1.00 0.00 O ATOM 2275 CB VAL A 132 -1.800 14.918 16.740 1.00 0.00 C ATOM 2276 CG1 VAL A 132 -1.597 16.427 16.424 1.00 0.00 C ATOM 2277 CG2 VAL A 132 -2.938 14.716 17.784 1.00 0.00 C ATOM 0 H VAL A 132 -2.136 12.424 16.751 1.00 0.00 H new ATOM 0 HA VAL A 132 -3.009 14.432 14.987 1.00 0.00 H new ATOM 0 HB VAL A 132 -0.868 14.551 17.170 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.406 16.970 17.350 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -0.748 16.547 15.751 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.495 16.823 15.949 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.724 15.306 18.675 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.887 15.038 17.355 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.001 13.662 18.054 1.00 0.00 H new ATOM 2287 N GLY A 133 0.087 13.421 14.459 1.00 0.00 N ATOM 2288 CA GLY A 133 1.199 13.419 13.495 1.00 0.00 C ATOM 2289 C GLY A 133 0.807 12.908 12.104 1.00 0.00 C ATOM 2290 O GLY A 133 1.570 13.070 11.141 1.00 0.00 O ATOM 0 H GLY A 133 0.176 12.713 15.188 1.00 0.00 H new ATOM 0 HA2 GLY A 133 1.591 14.432 13.403 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.006 12.799 13.886 1.00 0.00 H new ATOM 2294 N GLY A 134 -0.379 12.276 12.023 1.00 0.00 N ATOM 2295 CA GLY A 134 -0.963 11.810 10.764 1.00 0.00 C ATOM 2296 C GLY A 134 -0.425 10.453 10.326 1.00 0.00 C ATOM 2297 O GLY A 134 0.438 9.872 10.994 1.00 0.00 O ATOM 0 H GLY A 134 -0.958 12.076 12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.046 11.748 10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -0.763 12.544 9.983 1.00 0.00 H new ATOM 2301 N GLN A 135 -0.975 9.926 9.219 1.00 0.00 N ATOM 2302 CA GLN A 135 -0.492 8.689 8.564 1.00 0.00 C ATOM 2303 C GLN A 135 -0.220 8.994 7.092 1.00 0.00 C ATOM 2304 O GLN A 135 -1.010 9.689 6.455 1.00 0.00 O ATOM 2305 CB GLN A 135 -1.551 7.542 8.646 1.00 0.00 C ATOM 2306 CG GLN A 135 -1.950 7.085 10.061 1.00 0.00 C ATOM 2307 CD GLN A 135 -0.830 6.370 10.817 1.00 0.00 C ATOM 2308 OE1 GLN A 135 -0.655 5.163 10.696 1.00 0.00 O ATOM 2309 NE2 GLN A 135 -0.108 7.099 11.645 1.00 0.00 N ATOM 0 H GLN A 135 -1.775 10.347 8.746 1.00 0.00 H new ATOM 0 HA GLN A 135 0.411 8.359 9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.451 7.869 8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.164 6.679 8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -2.268 7.954 10.637 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.810 6.419 9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -0.278 8.102 11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.621 6.660 12.208 1.00 0.00 H new ATOM 2318 N TYR A 136 0.893 8.492 6.556 1.00 0.00 N ATOM 2319 CA TYR A 136 1.120 8.476 5.097 1.00 0.00 C ATOM 2320 C TYR A 136 0.198 7.407 4.483 1.00 0.00 C ATOM 2321 O TYR A 136 0.435 6.209 4.668 1.00 0.00 O ATOM 2322 CB TYR A 136 2.620 8.210 4.731 1.00 0.00 C ATOM 2323 CG TYR A 136 3.420 9.467 4.329 1.00 0.00 C ATOM 2324 CD1 TYR A 136 2.920 10.351 3.363 1.00 0.00 C ATOM 2325 CD2 TYR A 136 4.672 9.762 4.886 1.00 0.00 C ATOM 2326 CE1 TYR A 136 3.631 11.472 2.974 1.00 0.00 C ATOM 2327 CE2 TYR A 136 5.389 10.881 4.490 1.00 0.00 C ATOM 2328 CZ TYR A 136 4.863 11.733 3.534 1.00 0.00 C ATOM 2329 OH TYR A 136 5.584 12.840 3.125 1.00 0.00 O ATOM 0 H TYR A 136 1.654 8.090 7.103 1.00 0.00 H new ATOM 0 HA TYR A 136 0.884 9.458 4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 136 3.110 7.742 5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 136 2.658 7.494 3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 136 1.959 10.153 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 136 5.086 9.106 5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 136 3.221 12.142 2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 136 6.355 11.087 4.926 1.00 0.00 H new ATOM 0 HH TYR A 136 6.182 13.126 3.847 1.00 0.00 H new ATOM 2339 N LEU A 137 -0.863 7.856 3.790 1.00 0.00 N ATOM 2340 CA LEU A 137 -1.869 6.961 3.192 1.00 0.00 C ATOM 2341 C LEU A 137 -1.256 6.315 1.935 1.00 0.00 C ATOM 2342 O LEU A 137 -0.797 7.010 1.024 1.00 0.00 O ATOM 2343 CB LEU A 137 -3.182 7.744 2.841 1.00 0.00 C ATOM 2344 CG LEU A 137 -4.550 6.964 2.936 1.00 0.00 C ATOM 2345 CD1 LEU A 137 -5.697 7.783 2.313 1.00 0.00 C ATOM 2346 CD2 LEU A 137 -4.495 5.540 2.324 1.00 0.00 C ATOM 0 H LEU A 137 -1.047 8.846 3.629 1.00 0.00 H new ATOM 0 HA LEU A 137 -2.144 6.186 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.243 8.609 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -3.083 8.125 1.825 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.746 6.831 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -6.629 7.223 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -5.797 8.730 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -5.477 7.976 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.470 5.063 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.231 5.608 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -3.745 4.947 2.848 1.00 0.00 H new ATOM 2358 N ARG A 138 -1.262 4.984 1.890 1.00 0.00 N ATOM 2359 CA ARG A 138 -0.740 4.228 0.754 1.00 0.00 C ATOM 2360 C ARG A 138 -1.728 3.121 0.388 1.00 0.00 C ATOM 2361 O ARG A 138 -2.027 2.258 1.213 1.00 0.00 O ATOM 2362 CB ARG A 138 0.696 3.692 1.032 1.00 0.00 C ATOM 2363 CG ARG A 138 0.898 2.651 2.161 1.00 0.00 C ATOM 2364 CD ARG A 138 0.680 3.228 3.577 1.00 0.00 C ATOM 2365 NE ARG A 138 1.320 2.410 4.629 1.00 0.00 N ATOM 2366 CZ ARG A 138 2.068 2.897 5.646 1.00 0.00 C ATOM 2367 NH1 ARG A 138 2.241 4.209 5.801 1.00 0.00 N ATOM 2368 NH2 ARG A 138 2.626 2.065 6.509 1.00 0.00 N ATOM 0 H ARG A 138 -1.629 4.399 2.641 1.00 0.00 H new ATOM 0 HA ARG A 138 -0.642 4.890 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 138 1.069 3.252 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.331 4.549 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 138 0.210 1.820 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 138 1.907 2.245 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 138 1.078 4.242 3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -0.389 3.298 3.776 1.00 0.00 H new ATOM 0 HE ARG A 138 1.187 1.400 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 138 1.807 4.861 5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 138 2.808 4.561 6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 138 2.492 1.059 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 138 3.190 2.429 7.277 1.00 0.00 H new ATOM 2382 N GLU A 139 -2.241 3.154 -0.856 1.00 0.00 N ATOM 2383 CA GLU A 139 -3.298 2.225 -1.288 1.00 0.00 C ATOM 2384 C GLU A 139 -2.754 1.394 -2.461 1.00 0.00 C ATOM 2385 O GLU A 139 -3.179 1.577 -3.623 1.00 0.00 O ATOM 2386 CB GLU A 139 -4.594 3.028 -1.622 1.00 0.00 C ATOM 2387 CG GLU A 139 -5.848 2.185 -1.928 1.00 0.00 C ATOM 2388 CD GLU A 139 -6.242 1.250 -0.777 1.00 0.00 C ATOM 2389 OE1 GLU A 139 -6.771 1.741 0.241 1.00 0.00 O ATOM 2390 OE2 GLU A 139 -6.024 0.022 -0.882 1.00 0.00 O ATOM 2391 OXT GLU A 139 -1.828 0.600 -2.208 1.00 0.00 O ATOM 0 H GLU A 139 -1.941 3.812 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.577 1.527 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.818 3.685 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -4.391 3.667 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.682 2.852 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.669 1.592 -2.825 1.00 0.00 H new