USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 508 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 11 LYS NZ :NH3+ -135:sc= 0.0719 (180deg=-0.168) USER MOD Set 1.2: A 65 TYR OH : rot 30:sc= 0.101 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.505 K(o=-0.76,f=-6.2!) USER MOD Set 2.2: A 60 GLN : amide:sc= -0.253 X(o=-0.76,f=-0.74) USER MOD Set 3.1: A 18 THR OG1 : rot -164:sc= -0.609 USER MOD Set 3.2: A 21 ASN : amide:sc= -1.17 X(o=-1.8,f=-1.9) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 74:sc= 0.856 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.0428 (180deg=-0.308) USER MOD Single : A 16 CYS SG : rot 130:sc= -0.0369 USER MOD Single : A 19 GLN : amide:sc= -2.05! K(o=-2!,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 152:sc= -0.196 (180deg=-0.966) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -170:sc= -1.72! USER MOD Single : A 34 SER OG : rot 137:sc= 1.29 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 0.164 (180deg=-0.118) USER MOD Single : A 38 ASN : amide:sc= 1.11 K(o=1.1,f=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 64 LYS NZ :NH3+ -109:sc= 0.687 (180deg=-0.0515) USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 4.103 12.689 -4.812 1.00 0.00 N ATOM 81 CA TYR A 5 3.797 14.097 -5.126 1.00 0.00 C ATOM 82 C TYR A 5 4.027 15.050 -3.937 1.00 0.00 C ATOM 83 O TYR A 5 3.361 16.090 -3.846 1.00 0.00 O ATOM 84 CB TYR A 5 2.323 14.200 -5.541 1.00 0.00 C ATOM 85 CG TYR A 5 1.904 13.215 -6.604 1.00 0.00 C ATOM 86 CD1 TYR A 5 2.341 13.345 -7.905 1.00 0.00 C ATOM 87 CD2 TYR A 5 1.059 12.155 -6.297 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.950 12.445 -8.879 1.00 0.00 C ATOM 89 CE2 TYR A 5 0.664 11.252 -7.260 1.00 0.00 C ATOM 90 CZ TYR A 5 1.110 11.399 -8.550 1.00 0.00 C ATOM 91 OH TYR A 5 0.704 10.499 -9.525 1.00 0.00 O ATOM 0 HA TYR A 5 4.473 14.399 -5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.699 14.052 -4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.130 15.210 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.998 14.161 -8.167 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.705 12.037 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.300 12.559 -9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.008 10.434 -7.002 1.00 0.00 H new ATOM 0 HH TYR A 5 0.116 9.825 -9.124 1.00 0.00 H new ATOM 101 N SER A 6 4.997 14.762 -3.090 1.00 0.00 N ATOM 102 CA SER A 6 5.217 15.555 -1.878 1.00 0.00 C ATOM 103 C SER A 6 5.492 17.062 -2.153 1.00 0.00 C ATOM 104 O SER A 6 4.946 17.924 -1.443 1.00 0.00 O ATOM 105 CB SER A 6 6.287 14.919 -0.990 1.00 0.00 C ATOM 106 OG SER A 6 5.903 13.592 -0.619 1.00 0.00 O ATOM 0 H SER A 6 5.649 13.987 -3.212 1.00 0.00 H new ATOM 0 HA SER A 6 4.275 15.541 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.240 14.894 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.434 15.525 -0.096 1.00 0.00 H new ATOM 0 HG SER A 6 6.598 13.197 -0.052 1.00 0.00 H new ATOM 112 N SER A 7 6.261 17.386 -3.209 1.00 0.00 N ATOM 113 CA SER A 7 6.538 18.795 -3.533 1.00 0.00 C ATOM 114 C SER A 7 5.265 19.536 -3.963 1.00 0.00 C ATOM 115 O SER A 7 5.117 20.739 -3.724 1.00 0.00 O ATOM 116 CB SER A 7 7.612 18.911 -4.617 1.00 0.00 C ATOM 117 OG SER A 7 8.841 18.352 -4.173 1.00 0.00 O ATOM 0 H SER A 7 6.692 16.709 -3.838 1.00 0.00 H new ATOM 0 HA SER A 7 6.912 19.266 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.280 18.399 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.758 19.959 -4.880 1.00 0.00 H new ATOM 0 HG SER A 7 9.513 18.435 -4.881 1.00 0.00 H new ATOM 123 N LEU A 8 4.344 18.817 -4.565 1.00 0.00 N ATOM 124 CA LEU A 8 3.095 19.399 -5.000 1.00 0.00 C ATOM 125 C LEU A 8 2.201 19.615 -3.833 1.00 0.00 C ATOM 126 O LEU A 8 1.625 20.691 -3.672 1.00 0.00 O ATOM 127 CB LEU A 8 2.434 18.506 -6.030 1.00 0.00 C ATOM 128 CG LEU A 8 1.049 18.926 -6.534 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.020 20.379 -6.978 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.637 18.029 -7.663 1.00 0.00 C ATOM 0 H LEU A 8 4.438 17.821 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 8 3.293 20.365 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.099 18.433 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.350 17.505 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 8 0.345 18.829 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.019 20.633 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.285 21.021 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.735 20.526 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.348 18.326 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.360 18.111 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.599 16.997 -7.313 1.00 0.00 H new ATOM 142 N LEU A 9 2.124 18.616 -3.008 1.00 0.00 N ATOM 143 CA LEU A 9 1.331 18.638 -1.840 1.00 0.00 C ATOM 144 C LEU A 9 1.694 19.822 -0.917 1.00 0.00 C ATOM 145 O LEU A 9 0.828 20.374 -0.257 1.00 0.00 O ATOM 146 CB LEU A 9 1.472 17.307 -1.136 1.00 0.00 C ATOM 147 CG LEU A 9 0.846 16.082 -1.828 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.177 14.811 -1.066 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.666 16.232 -1.941 1.00 0.00 C ATOM 0 H LEU A 9 2.631 17.741 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 9 0.288 18.789 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.534 17.110 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.029 17.399 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 9 1.267 16.017 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.726 13.956 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.259 14.681 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.784 14.882 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.083 15.353 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.097 16.329 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.901 17.121 -2.526 1.00 0.00 H new ATOM 161 N GLY A 10 2.973 20.222 -0.928 1.00 0.00 N ATOM 162 CA GLY A 10 3.418 21.369 -0.145 1.00 0.00 C ATOM 163 C GLY A 10 2.735 22.652 -0.595 1.00 0.00 C ATOM 164 O GLY A 10 2.216 23.416 0.224 1.00 0.00 O ATOM 0 H GLY A 10 3.709 19.768 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.207 21.194 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.498 21.478 -0.240 1.00 0.00 H new ATOM 168 N LYS A 11 2.697 22.858 -1.913 1.00 0.00 N ATOM 169 CA LYS A 11 2.041 23.991 -2.515 1.00 0.00 C ATOM 170 C LYS A 11 0.574 23.965 -2.189 1.00 0.00 C ATOM 171 O LYS A 11 -0.019 24.980 -1.830 1.00 0.00 O ATOM 172 CB LYS A 11 2.210 23.919 -4.022 1.00 0.00 C ATOM 173 CG LYS A 11 3.538 24.383 -4.553 1.00 0.00 C ATOM 174 CD LYS A 11 3.689 25.886 -4.389 1.00 0.00 C ATOM 175 CE LYS A 11 4.995 26.393 -4.967 1.00 0.00 C ATOM 176 NZ LYS A 11 6.175 25.749 -4.363 1.00 0.00 N ATOM 0 H LYS A 11 3.130 22.228 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 11 2.483 24.909 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.054 22.887 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.425 24.517 -4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.344 23.872 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.627 24.117 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.856 26.389 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.638 26.142 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.003 26.219 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.059 27.471 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.890 26.471 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.895 25.261 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.574 25.060 -5.031 1.00 0.00 H new ATOM 190 N ILE A 12 0.015 22.790 -2.303 1.00 0.00 N ATOM 191 CA ILE A 12 -1.383 22.551 -2.049 1.00 0.00 C ATOM 192 C ILE A 12 -1.771 22.950 -0.634 1.00 0.00 C ATOM 193 O ILE A 12 -2.730 23.705 -0.449 1.00 0.00 O ATOM 194 CB ILE A 12 -1.746 21.079 -2.329 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.528 20.786 -3.812 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.184 20.781 -1.920 1.00 0.00 C ATOM 197 CD1 ILE A 12 -1.743 19.354 -4.200 1.00 0.00 C ATOM 0 H ILE A 12 0.529 21.954 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.955 23.179 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.101 20.432 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.202 21.413 -4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.512 21.074 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.413 19.736 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.306 20.973 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.863 21.421 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.567 19.236 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.051 18.719 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.767 19.064 -3.967 1.00 0.00 H new ATOM 209 N THR A 13 -1.018 22.494 0.345 1.00 0.00 N ATOM 210 CA THR A 13 -1.295 22.806 1.736 1.00 0.00 C ATOM 211 C THR A 13 -1.219 24.318 2.000 1.00 0.00 C ATOM 212 O THR A 13 -1.992 24.872 2.789 1.00 0.00 O ATOM 213 CB THR A 13 -0.296 22.097 2.661 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.272 20.685 2.352 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.705 22.273 4.118 1.00 0.00 C ATOM 0 H THR A 13 -0.201 21.900 0.203 1.00 0.00 H new ATOM 0 HA THR A 13 -2.306 22.457 1.944 1.00 0.00 H new ATOM 0 HB THR A 13 0.691 22.534 2.508 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.202 20.543 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.013 21.765 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.725 23.335 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.696 21.846 4.272 1.00 0.00 H new ATOM 223 N GLU A 14 -0.326 24.978 1.326 1.00 0.00 N ATOM 224 CA GLU A 14 -0.121 26.371 1.558 1.00 0.00 C ATOM 225 C GLU A 14 -1.100 27.277 0.812 1.00 0.00 C ATOM 226 O GLU A 14 -1.490 28.330 1.325 1.00 0.00 O ATOM 227 CB GLU A 14 1.300 26.734 1.278 1.00 0.00 C ATOM 228 CG GLU A 14 2.290 26.175 2.278 1.00 0.00 C ATOM 229 CD GLU A 14 3.693 26.624 2.003 1.00 0.00 C ATOM 230 OE1 GLU A 14 4.380 26.023 1.160 1.00 0.00 O ATOM 231 OE2 GLU A 14 4.157 27.591 2.638 1.00 0.00 O ATOM 0 H GLU A 14 0.273 24.570 0.609 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.332 26.547 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.565 26.378 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.390 27.820 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.002 26.485 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.249 25.086 2.256 1.00 0.00 H new ATOM 238 N LYS A 15 -1.528 26.862 -0.357 1.00 0.00 N ATOM 239 CA LYS A 15 -2.375 27.665 -1.179 1.00 0.00 C ATOM 240 C LYS A 15 -3.819 27.397 -0.915 1.00 0.00 C ATOM 241 O LYS A 15 -4.646 28.307 -0.868 1.00 0.00 O ATOM 242 CB LYS A 15 -2.085 27.338 -2.617 1.00 0.00 C ATOM 243 CG LYS A 15 -1.374 28.427 -3.369 1.00 0.00 C ATOM 244 CD LYS A 15 -0.006 28.684 -2.759 1.00 0.00 C ATOM 245 CE LYS A 15 0.690 29.841 -3.428 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.061 31.112 -3.301 1.00 0.00 N ATOM 0 H LYS A 15 -1.293 25.954 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.177 28.713 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.481 26.432 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.025 27.117 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.265 28.144 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.967 29.341 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.114 28.890 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.608 27.788 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.681 29.965 -2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.833 29.612 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.566 31.910 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.867 31.106 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.410 31.213 -2.327 1.00 0.00 H new ATOM 260 N CYS A 16 -4.115 26.166 -0.739 1.00 0.00 N ATOM 261 CA CYS A 16 -5.417 25.732 -0.613 1.00 0.00 C ATOM 262 C CYS A 16 -5.619 25.227 0.786 1.00 0.00 C ATOM 263 O CYS A 16 -6.514 25.657 1.497 1.00 0.00 O ATOM 264 CB CYS A 16 -5.615 24.627 -1.625 1.00 0.00 C ATOM 265 SG CYS A 16 -5.413 25.141 -3.347 1.00 0.00 S ATOM 0 H CYS A 16 -3.420 25.421 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.137 26.530 -0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.907 23.826 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.614 24.211 -1.498 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.602 24.325 -3.951 1.00 0.00 H new ATOM 271 N GLY A 17 -4.765 24.342 1.194 1.00 0.00 N ATOM 272 CA GLY A 17 -4.875 23.787 2.487 1.00 0.00 C ATOM 273 C GLY A 17 -4.748 22.310 2.477 1.00 0.00 C ATOM 274 O GLY A 17 -3.869 21.746 3.100 1.00 0.00 O ATOM 0 H GLY A 17 -3.983 23.993 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.103 24.212 3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.837 24.064 2.918 1.00 0.00 H new ATOM 278 N THR A 18 -5.607 21.695 1.741 1.00 0.00 N ATOM 279 CA THR A 18 -5.708 20.258 1.689 1.00 0.00 C ATOM 280 C THR A 18 -6.044 19.833 0.273 1.00 0.00 C ATOM 281 O THR A 18 -6.246 20.701 -0.603 1.00 0.00 O ATOM 282 CB THR A 18 -6.846 19.801 2.620 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.061 20.486 2.243 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.519 20.117 4.068 1.00 0.00 C ATOM 0 H THR A 18 -6.278 22.177 1.142 1.00 0.00 H new ATOM 0 HA THR A 18 -4.763 19.813 2.000 1.00 0.00 H new ATOM 0 HB THR A 18 -6.971 18.723 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.719 20.406 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.338 19.785 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.603 19.601 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.382 21.192 4.184 1.00 0.00 H new ATOM 292 N GLN A 19 -6.160 18.525 0.047 1.00 0.00 N ATOM 293 CA GLN A 19 -6.521 17.991 -1.262 1.00 0.00 C ATOM 294 C GLN A 19 -7.978 18.323 -1.544 1.00 0.00 C ATOM 295 O GLN A 19 -8.381 18.467 -2.690 1.00 0.00 O ATOM 296 CB GLN A 19 -6.293 16.478 -1.317 1.00 0.00 C ATOM 297 CG GLN A 19 -4.854 16.066 -1.056 1.00 0.00 C ATOM 298 CD GLN A 19 -4.669 14.565 -1.004 1.00 0.00 C ATOM 299 OE1 GLN A 19 -4.768 13.952 0.057 1.00 0.00 O ATOM 300 NE2 GLN A 19 -4.386 13.959 -2.125 1.00 0.00 N ATOM 0 H GLN A 19 -6.008 17.812 0.761 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.888 18.446 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.938 15.996 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.595 16.110 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.216 16.478 -1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.523 16.500 -0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.311 14.495 -2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.240 12.950 -2.136 1.00 0.00 H new ATOM 309 N TYR A 20 -8.748 18.453 -0.464 1.00 0.00 N ATOM 310 CA TYR A 20 -10.133 18.889 -0.517 1.00 0.00 C ATOM 311 C TYR A 20 -10.206 20.246 -1.144 1.00 0.00 C ATOM 312 O TYR A 20 -10.838 20.443 -2.165 1.00 0.00 O ATOM 313 CB TYR A 20 -10.681 19.002 0.896 1.00 0.00 C ATOM 314 CG TYR A 20 -12.110 19.510 0.972 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.166 18.737 0.546 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.388 20.773 1.473 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.458 19.194 0.609 1.00 0.00 C ATOM 318 CE2 TYR A 20 -13.680 21.242 1.543 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.710 20.445 1.109 1.00 0.00 C ATOM 320 OH TYR A 20 -15.998 20.906 1.163 1.00 0.00 O ATOM 0 H TYR A 20 -8.419 18.255 0.481 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.709 18.168 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.630 18.023 1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.039 19.670 1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.973 17.749 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.577 21.399 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.272 18.572 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.882 22.228 1.936 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.007 21.809 1.544 1.00 0.00 H new ATOM 330 N ASN A 21 -9.546 21.172 -0.505 1.00 0.00 N ATOM 331 CA ASN A 21 -9.506 22.561 -0.942 1.00 0.00 C ATOM 332 C ASN A 21 -8.937 22.682 -2.349 1.00 0.00 C ATOM 333 O ASN A 21 -9.407 23.481 -3.157 1.00 0.00 O ATOM 334 CB ASN A 21 -8.675 23.396 0.015 1.00 0.00 C ATOM 335 CG ASN A 21 -9.256 23.515 1.412 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.457 23.398 1.610 1.00 0.00 O ATOM 337 ND2 ASN A 21 -8.415 23.846 2.375 1.00 0.00 N ATOM 0 H ASN A 21 -9.011 20.993 0.345 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.531 22.932 -0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.678 22.961 0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.558 24.396 -0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.762 24.013 3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.419 23.935 2.174 1.00 0.00 H new ATOM 344 N PHE A 22 -7.925 21.886 -2.613 1.00 0.00 N ATOM 345 CA PHE A 22 -7.287 21.787 -3.931 1.00 0.00 C ATOM 346 C PHE A 22 -8.329 21.430 -4.963 1.00 0.00 C ATOM 347 O PHE A 22 -8.461 22.090 -6.002 1.00 0.00 O ATOM 348 CB PHE A 22 -6.256 20.674 -3.878 1.00 0.00 C ATOM 349 CG PHE A 22 -5.373 20.536 -5.092 1.00 0.00 C ATOM 350 CD1 PHE A 22 -4.638 21.602 -5.564 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.259 19.320 -5.735 1.00 0.00 C ATOM 352 CE1 PHE A 22 -3.807 21.455 -6.660 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.436 19.166 -6.829 1.00 0.00 C ATOM 354 CZ PHE A 22 -3.708 20.236 -7.292 1.00 0.00 C ATOM 0 H PHE A 22 -7.506 21.273 -1.913 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.818 22.736 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.621 20.835 -3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.777 19.729 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.712 22.561 -5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.825 18.474 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.235 22.297 -7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.363 18.208 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.061 20.121 -8.149 1.00 0.00 H new ATOM 364 N ALA A 23 -9.073 20.388 -4.645 1.00 0.00 N ATOM 365 CA ALA A 23 -10.150 19.895 -5.481 1.00 0.00 C ATOM 366 C ALA A 23 -11.148 21.004 -5.783 1.00 0.00 C ATOM 367 O ALA A 23 -11.547 21.192 -6.938 1.00 0.00 O ATOM 368 CB ALA A 23 -10.863 18.736 -4.805 1.00 0.00 C ATOM 0 H ALA A 23 -8.944 19.853 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.715 19.547 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.668 18.379 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.155 17.927 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.278 19.069 -3.854 1.00 0.00 H new ATOM 374 N ILE A 24 -11.518 21.751 -4.742 1.00 0.00 N ATOM 375 CA ILE A 24 -12.449 22.858 -4.841 1.00 0.00 C ATOM 376 C ILE A 24 -11.959 23.875 -5.867 1.00 0.00 C ATOM 377 O ILE A 24 -12.686 24.236 -6.793 1.00 0.00 O ATOM 378 CB ILE A 24 -12.587 23.563 -3.477 1.00 0.00 C ATOM 379 CG1 ILE A 24 -12.976 22.564 -2.388 1.00 0.00 C ATOM 380 CG2 ILE A 24 -13.595 24.705 -3.542 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.308 21.875 -2.568 1.00 0.00 C ATOM 0 H ILE A 24 -11.170 21.596 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.415 22.460 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.616 23.989 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.200 21.801 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.985 23.085 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.669 25.181 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.267 25.438 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.571 24.313 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.479 21.190 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.103 22.620 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.305 21.316 -3.504 1.00 0.00 H new ATOM 393 N ALA A 25 -10.710 24.279 -5.722 1.00 0.00 N ATOM 394 CA ALA A 25 -10.098 25.274 -6.592 1.00 0.00 C ATOM 395 C ALA A 25 -9.975 24.781 -8.038 1.00 0.00 C ATOM 396 O ALA A 25 -10.071 25.567 -8.983 1.00 0.00 O ATOM 397 CB ALA A 25 -8.739 25.672 -6.050 1.00 0.00 C ATOM 0 H ALA A 25 -10.087 23.926 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.752 26.146 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.289 26.416 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.855 26.092 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.095 24.794 -6.002 1.00 0.00 H new ATOM 403 N MET A 26 -9.750 23.492 -8.204 1.00 0.00 N ATOM 404 CA MET A 26 -9.637 22.900 -9.534 1.00 0.00 C ATOM 405 C MET A 26 -10.999 22.772 -10.191 1.00 0.00 C ATOM 406 O MET A 26 -11.144 22.975 -11.408 1.00 0.00 O ATOM 407 CB MET A 26 -8.984 21.519 -9.481 1.00 0.00 C ATOM 408 CG MET A 26 -7.528 21.507 -9.068 1.00 0.00 C ATOM 409 SD MET A 26 -6.831 19.841 -9.077 1.00 0.00 S ATOM 410 CE MET A 26 -6.952 19.405 -10.811 1.00 0.00 C ATOM 0 H MET A 26 -9.641 22.829 -7.437 1.00 0.00 H new ATOM 0 HA MET A 26 -9.008 23.568 -10.122 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.547 20.896 -8.786 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.069 21.057 -10.465 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.955 22.142 -9.743 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.432 21.934 -8.070 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.167 18.692 -11.062 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.926 18.957 -11.006 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.836 20.301 -11.420 1.00 0.00 H new ATOM 420 N GLY A 27 -11.986 22.458 -9.393 1.00 0.00 N ATOM 421 CA GLY A 27 -13.312 22.229 -9.904 1.00 0.00 C ATOM 422 C GLY A 27 -13.633 20.752 -9.917 1.00 0.00 C ATOM 423 O GLY A 27 -14.532 20.299 -10.634 1.00 0.00 O ATOM 0 H GLY A 27 -11.896 22.355 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.040 22.759 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.393 22.632 -10.913 1.00 0.00 H new ATOM 427 N LEU A 28 -12.890 20.006 -9.125 1.00 0.00 N ATOM 428 CA LEU A 28 -13.045 18.568 -9.005 1.00 0.00 C ATOM 429 C LEU A 28 -13.605 18.223 -7.665 1.00 0.00 C ATOM 430 O LEU A 28 -13.724 19.079 -6.789 1.00 0.00 O ATOM 431 CB LEU A 28 -11.709 17.807 -9.214 1.00 0.00 C ATOM 432 CG LEU A 28 -11.265 17.537 -10.661 1.00 0.00 C ATOM 433 CD1 LEU A 28 -11.072 18.817 -11.428 1.00 0.00 C ATOM 434 CD2 LEU A 28 -9.996 16.702 -10.683 1.00 0.00 C ATOM 0 H LEU A 28 -12.149 20.387 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.731 18.256 -9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.919 18.372 -8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.784 16.848 -8.701 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.060 16.976 -11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.758 18.587 -12.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.010 19.371 -11.454 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.307 19.422 -10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.697 16.521 -11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.200 17.236 -10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.179 15.749 -10.186 1.00 0.00 H new ATOM 446 N SER A 29 -13.937 16.990 -7.508 1.00 0.00 N ATOM 447 CA SER A 29 -14.450 16.503 -6.265 1.00 0.00 C ATOM 448 C SER A 29 -13.255 16.004 -5.444 1.00 0.00 C ATOM 449 O SER A 29 -12.217 15.621 -6.030 1.00 0.00 O ATOM 450 CB SER A 29 -15.479 15.393 -6.536 1.00 0.00 C ATOM 451 OG SER A 29 -16.233 15.061 -5.375 1.00 0.00 O ATOM 0 H SER A 29 -13.862 16.283 -8.239 1.00 0.00 H new ATOM 0 HA SER A 29 -14.966 17.281 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.157 15.714 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.964 14.504 -6.899 1.00 0.00 H new ATOM 0 HG SER A 29 -16.875 14.354 -5.593 1.00 0.00 H new ATOM 457 N GLU A 30 -13.391 16.019 -4.119 1.00 0.00 N ATOM 458 CA GLU A 30 -12.306 15.681 -3.193 1.00 0.00 C ATOM 459 C GLU A 30 -11.749 14.307 -3.481 1.00 0.00 C ATOM 460 O GLU A 30 -10.552 14.160 -3.724 1.00 0.00 O ATOM 461 CB GLU A 30 -12.802 15.824 -1.730 1.00 0.00 C ATOM 462 CG GLU A 30 -11.761 15.593 -0.609 1.00 0.00 C ATOM 463 CD GLU A 30 -11.526 14.145 -0.252 1.00 0.00 C ATOM 464 OE1 GLU A 30 -10.527 13.564 -0.692 1.00 0.00 O ATOM 465 OE2 GLU A 30 -12.321 13.578 0.520 1.00 0.00 O ATOM 0 H GLU A 30 -14.263 16.268 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.483 16.380 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.214 16.826 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.622 15.122 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.813 16.035 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.086 16.125 0.285 1.00 0.00 H new ATOM 472 N ARG A 31 -12.618 13.320 -3.533 1.00 0.00 N ATOM 473 CA ARG A 31 -12.186 11.958 -3.760 1.00 0.00 C ATOM 474 C ARG A 31 -11.585 11.771 -5.135 1.00 0.00 C ATOM 475 O ARG A 31 -10.700 10.960 -5.304 1.00 0.00 O ATOM 476 CB ARG A 31 -13.308 10.957 -3.521 1.00 0.00 C ATOM 477 CG ARG A 31 -13.006 9.996 -2.388 1.00 0.00 C ATOM 478 CD ARG A 31 -11.800 9.117 -2.701 1.00 0.00 C ATOM 479 NE ARG A 31 -11.333 8.394 -1.521 1.00 0.00 N ATOM 480 CZ ARG A 31 -10.779 7.174 -1.516 1.00 0.00 C ATOM 481 NH1 ARG A 31 -10.747 6.438 -2.632 1.00 0.00 N ATOM 482 NH2 ARG A 31 -10.295 6.679 -0.382 1.00 0.00 N ATOM 0 H ARG A 31 -13.625 13.435 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.402 11.761 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.229 11.496 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.484 10.390 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.819 10.559 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.877 9.367 -2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.063 8.405 -3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.992 9.735 -3.092 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.438 8.860 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.146 6.804 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.323 5.510 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.347 7.227 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.872 5.751 -0.370 1.00 0.00 H new ATOM 496 N THR A 32 -12.028 12.560 -6.083 1.00 0.00 N ATOM 497 CA THR A 32 -11.555 12.473 -7.446 1.00 0.00 C ATOM 498 C THR A 32 -10.091 12.877 -7.474 1.00 0.00 C ATOM 499 O THR A 32 -9.244 12.162 -8.005 1.00 0.00 O ATOM 500 CB THR A 32 -12.391 13.398 -8.354 1.00 0.00 C ATOM 501 OG1 THR A 32 -13.779 13.190 -8.069 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.131 13.102 -9.822 1.00 0.00 C ATOM 0 H THR A 32 -12.730 13.284 -5.932 1.00 0.00 H new ATOM 0 HA THR A 32 -11.659 11.453 -7.816 1.00 0.00 H new ATOM 0 HB THR A 32 -12.109 14.432 -8.158 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.324 13.650 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.733 13.768 -10.440 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.075 13.258 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.398 12.067 -10.037 1.00 0.00 H new ATOM 510 N VAL A 33 -9.803 13.986 -6.842 1.00 0.00 N ATOM 511 CA VAL A 33 -8.479 14.468 -6.670 1.00 0.00 C ATOM 512 C VAL A 33 -7.660 13.529 -5.921 1.00 0.00 C ATOM 513 O VAL A 33 -6.542 13.229 -6.325 1.00 0.00 O ATOM 514 CB VAL A 33 -8.516 15.809 -5.970 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.175 16.280 -5.573 1.00 0.00 C ATOM 516 CG2 VAL A 33 -8.973 16.746 -6.931 1.00 0.00 C ATOM 0 H VAL A 33 -10.513 14.588 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.026 14.582 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.139 15.713 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.261 17.246 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.723 15.560 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.548 16.383 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.020 17.737 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.285 16.765 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.966 16.458 -7.277 1.00 0.00 H new ATOM 526 N SER A 34 -8.207 13.016 -4.882 1.00 0.00 N ATOM 527 CA SER A 34 -7.471 12.173 -4.062 1.00 0.00 C ATOM 528 C SER A 34 -7.142 10.814 -4.748 1.00 0.00 C ATOM 529 O SER A 34 -6.367 10.029 -4.228 1.00 0.00 O ATOM 530 CB SER A 34 -8.128 12.004 -2.710 1.00 0.00 C ATOM 531 OG SER A 34 -8.274 13.263 -2.068 1.00 0.00 O ATOM 0 H SER A 34 -9.171 13.176 -4.590 1.00 0.00 H new ATOM 0 HA SER A 34 -6.509 12.654 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.104 11.534 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.529 11.339 -2.088 1.00 0.00 H new ATOM 0 HG SER A 34 -9.161 13.319 -1.655 1.00 0.00 H new ATOM 537 N LEU A 35 -7.767 10.540 -5.893 1.00 0.00 N ATOM 538 CA LEU A 35 -7.422 9.369 -6.672 1.00 0.00 C ATOM 539 C LEU A 35 -6.201 9.657 -7.573 1.00 0.00 C ATOM 540 O LEU A 35 -5.254 8.843 -7.636 1.00 0.00 O ATOM 541 CB LEU A 35 -8.616 8.898 -7.505 1.00 0.00 C ATOM 542 CG LEU A 35 -9.877 8.525 -6.728 1.00 0.00 C ATOM 543 CD1 LEU A 35 -10.989 8.132 -7.667 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.608 7.415 -5.729 1.00 0.00 C ATOM 0 H LEU A 35 -8.509 11.114 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.156 8.567 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.871 9.686 -8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.305 8.032 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.190 9.407 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.877 7.871 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.219 8.967 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.677 7.274 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.527 7.176 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.254 6.529 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.849 7.742 -5.018 1.00 0.00 H new ATOM 556 N LYS A 36 -6.227 10.800 -8.301 1.00 0.00 N ATOM 557 CA LYS A 36 -5.109 11.209 -9.131 1.00 0.00 C ATOM 558 C LYS A 36 -3.919 11.558 -8.267 1.00 0.00 C ATOM 559 O LYS A 36 -2.836 11.000 -8.396 1.00 0.00 O ATOM 560 CB LYS A 36 -5.417 12.487 -9.923 1.00 0.00 C ATOM 561 CG LYS A 36 -6.419 12.456 -11.056 1.00 0.00 C ATOM 562 CD LYS A 36 -7.840 12.476 -10.602 1.00 0.00 C ATOM 563 CE LYS A 36 -8.752 12.978 -11.709 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.497 12.353 -13.021 1.00 0.00 N ATOM 0 H LYS A 36 -7.018 11.443 -8.318 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.913 10.373 -9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.760 13.235 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.474 12.847 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.243 13.312 -11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.251 11.560 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.144 11.474 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.938 13.116 -9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.788 12.794 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.634 14.058 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.393 12.256 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.843 12.949 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.075 11.413 -12.881 1.00 0.00 H new ATOM 578 N LEU A 37 -4.167 12.465 -7.362 1.00 0.00 N ATOM 579 CA LEU A 37 -3.169 13.078 -6.535 1.00 0.00 C ATOM 580 C LEU A 37 -2.864 12.199 -5.326 1.00 0.00 C ATOM 581 O LEU A 37 -2.843 12.652 -4.182 1.00 0.00 O ATOM 582 CB LEU A 37 -3.676 14.481 -6.127 1.00 0.00 C ATOM 583 CG LEU A 37 -2.760 15.349 -5.323 1.00 0.00 C ATOM 584 CD1 LEU A 37 -1.732 15.953 -6.185 1.00 0.00 C ATOM 585 CD2 LEU A 37 -3.526 16.380 -4.545 1.00 0.00 C ATOM 0 H LEU A 37 -5.109 12.810 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.232 13.188 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.935 15.021 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.598 14.352 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.248 14.724 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.075 16.581 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.146 15.166 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.212 16.561 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.831 16.994 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.087 17.013 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.217 15.883 -3.864 1.00 0.00 H new ATOM 597 N ASN A 38 -2.628 10.949 -5.591 1.00 0.00 N ATOM 598 CA ASN A 38 -2.233 10.039 -4.566 1.00 0.00 C ATOM 599 C ASN A 38 -1.485 8.882 -5.167 1.00 0.00 C ATOM 600 O ASN A 38 -0.288 8.740 -4.944 1.00 0.00 O ATOM 601 CB ASN A 38 -3.410 9.519 -3.736 1.00 0.00 C ATOM 602 CG ASN A 38 -2.958 8.771 -2.478 1.00 0.00 C ATOM 603 OD1 ASN A 38 -2.741 9.382 -1.411 1.00 0.00 O ATOM 604 ND2 ASN A 38 -2.863 7.471 -2.555 1.00 0.00 N ATOM 0 H ASN A 38 -2.704 10.536 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.587 10.595 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.045 10.357 -3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.018 8.855 -4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.606 6.929 -1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.046 6.998 -3.440 1.00 0.00 H new ATOM 611 N ASP A 39 -2.173 8.072 -5.992 1.00 0.00 N ATOM 612 CA ASP A 39 -1.522 6.861 -6.491 1.00 0.00 C ATOM 613 C ASP A 39 -2.216 6.202 -7.680 1.00 0.00 C ATOM 614 O ASP A 39 -1.554 5.478 -8.425 1.00 0.00 O ATOM 615 CB ASP A 39 -1.426 5.796 -5.378 1.00 0.00 C ATOM 616 CG ASP A 39 -2.767 5.155 -5.052 1.00 0.00 C ATOM 617 OD1 ASP A 39 -2.945 3.941 -5.331 1.00 0.00 O ATOM 618 OD2 ASP A 39 -3.663 5.850 -4.539 1.00 0.00 O ATOM 0 H ASP A 39 -3.130 8.226 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.542 7.205 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.724 5.021 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.020 6.256 -4.477 1.00 0.00 H new ATOM 623 N LYS A 40 -3.514 6.410 -7.901 1.00 0.00 N ATOM 624 CA LYS A 40 -4.160 5.618 -8.875 1.00 0.00 C ATOM 625 C LYS A 40 -4.096 6.236 -10.202 1.00 0.00 C ATOM 626 O LYS A 40 -3.589 5.641 -11.167 1.00 0.00 O ATOM 627 CB LYS A 40 -5.622 5.413 -8.555 1.00 0.00 C ATOM 628 CG LYS A 40 -5.934 4.869 -7.177 1.00 0.00 C ATOM 629 CD LYS A 40 -7.402 4.517 -7.079 1.00 0.00 C ATOM 630 CE LYS A 40 -7.771 4.004 -5.703 1.00 0.00 C ATOM 631 NZ LYS A 40 -9.176 3.561 -5.644 1.00 0.00 N ATOM 0 H LYS A 40 -4.096 7.099 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.634 4.663 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.135 6.368 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.043 4.733 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.326 3.986 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.678 5.609 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.002 5.397 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.644 3.760 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.116 3.174 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.606 4.790 -4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.391 3.217 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.802 4.359 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.327 2.794 -6.330 1.00 0.00 H new ATOM 645 N VAL A 41 -4.569 7.426 -10.284 1.00 0.00 N ATOM 646 CA VAL A 41 -4.830 7.934 -11.554 1.00 0.00 C ATOM 647 C VAL A 41 -3.892 9.052 -11.887 1.00 0.00 C ATOM 648 O VAL A 41 -3.113 9.501 -11.054 1.00 0.00 O ATOM 649 CB VAL A 41 -6.284 8.421 -11.692 1.00 0.00 C ATOM 650 CG1 VAL A 41 -6.830 7.845 -12.918 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.154 8.036 -10.532 1.00 0.00 C ATOM 0 H VAL A 41 -4.775 8.044 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.677 7.115 -12.257 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.273 9.511 -11.718 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.862 8.172 -13.045 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.237 8.175 -13.771 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.799 6.757 -12.854 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.164 8.411 -10.695 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.180 6.950 -10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.750 8.467 -9.616 1.00 0.00 H new ATOM 661 N THR A 42 -3.980 9.490 -13.082 1.00 0.00 N ATOM 662 CA THR A 42 -3.174 10.527 -13.570 1.00 0.00 C ATOM 663 C THR A 42 -4.117 11.661 -13.968 1.00 0.00 C ATOM 664 O THR A 42 -5.344 11.450 -14.061 1.00 0.00 O ATOM 665 CB THR A 42 -2.416 10.005 -14.800 1.00 0.00 C ATOM 666 OG1 THR A 42 -1.991 8.646 -14.538 1.00 0.00 O ATOM 667 CG2 THR A 42 -1.187 10.848 -15.064 1.00 0.00 C ATOM 0 H THR A 42 -4.639 9.121 -13.768 1.00 0.00 H new ATOM 0 HA THR A 42 -2.451 10.876 -12.833 1.00 0.00 H new ATOM 0 HB THR A 42 -3.074 10.050 -15.668 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.507 8.299 -15.316 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.663 10.463 -15.939 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.486 11.880 -15.245 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.526 10.808 -14.198 1.00 0.00 H new ATOM 675 N TRP A 43 -3.593 12.819 -14.164 1.00 0.00 N ATOM 676 CA TRP A 43 -4.387 13.946 -14.556 1.00 0.00 C ATOM 677 C TRP A 43 -4.320 14.068 -16.050 1.00 0.00 C ATOM 678 O TRP A 43 -3.286 13.765 -16.652 1.00 0.00 O ATOM 679 CB TRP A 43 -3.828 15.245 -13.965 1.00 0.00 C ATOM 680 CG TRP A 43 -3.721 15.302 -12.477 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.606 15.868 -11.606 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.646 14.797 -11.688 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.140 15.742 -10.320 1.00 0.00 N ATOM 684 CE2 TRP A 43 -2.937 15.084 -10.348 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.462 14.125 -11.993 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.087 14.721 -9.315 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -0.626 13.769 -10.967 1.00 0.00 C ATOM 688 CH2 TRP A 43 -0.943 14.067 -9.644 1.00 0.00 C ATOM 0 H TRP A 43 -2.599 13.020 -14.059 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.406 13.795 -14.200 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.837 15.414 -14.386 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.459 16.070 -14.295 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.534 16.344 -11.886 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.611 16.082 -9.482 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.209 13.890 -13.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.326 14.950 -8.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.294 13.249 -11.188 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.262 13.771 -8.860 1.00 0.00 H new ATOM 699 N LYS A 44 -5.402 14.449 -16.649 1.00 0.00 N ATOM 700 CA LYS A 44 -5.391 14.796 -18.027 1.00 0.00 C ATOM 701 C LYS A 44 -4.847 16.205 -18.112 1.00 0.00 C ATOM 702 O LYS A 44 -4.859 16.928 -17.105 1.00 0.00 O ATOM 703 CB LYS A 44 -6.798 14.717 -18.620 1.00 0.00 C ATOM 704 CG LYS A 44 -7.404 13.316 -18.627 1.00 0.00 C ATOM 705 CD LYS A 44 -6.583 12.345 -19.465 1.00 0.00 C ATOM 706 CE LYS A 44 -7.216 10.962 -19.496 1.00 0.00 C ATOM 707 NZ LYS A 44 -6.447 10.015 -20.331 1.00 0.00 N ATOM 0 H LYS A 44 -6.313 14.527 -16.196 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.772 14.104 -18.599 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.454 15.380 -18.056 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.769 15.092 -19.643 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.472 12.945 -17.604 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.421 13.362 -19.017 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.492 12.727 -20.482 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.574 12.275 -19.059 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.286 10.574 -18.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.234 11.038 -19.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.915 9.086 -20.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.401 10.371 -21.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.483 9.921 -19.951 1.00 0.00 H new ATOM 721 N ASP A 45 -4.385 16.600 -19.270 1.00 0.00 N ATOM 722 CA ASP A 45 -3.763 17.920 -19.457 1.00 0.00 C ATOM 723 C ASP A 45 -4.649 19.058 -18.964 1.00 0.00 C ATOM 724 O ASP A 45 -4.198 19.914 -18.205 1.00 0.00 O ATOM 725 CB ASP A 45 -3.362 18.138 -20.908 1.00 0.00 C ATOM 726 CG ASP A 45 -2.797 19.517 -21.154 1.00 0.00 C ATOM 727 OD1 ASP A 45 -1.626 19.768 -20.796 1.00 0.00 O ATOM 728 OD2 ASP A 45 -3.491 20.353 -21.747 1.00 0.00 O ATOM 0 H ASP A 45 -4.421 16.032 -20.116 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.862 17.929 -18.844 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.622 17.390 -21.193 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.231 17.986 -21.548 1.00 0.00 H new ATOM 733 N ASP A 46 -5.920 19.019 -19.328 1.00 0.00 N ATOM 734 CA ASP A 46 -6.875 20.047 -18.899 1.00 0.00 C ATOM 735 C ASP A 46 -7.091 20.045 -17.401 1.00 0.00 C ATOM 736 O ASP A 46 -7.477 21.062 -16.836 1.00 0.00 O ATOM 737 CB ASP A 46 -8.224 19.945 -19.616 1.00 0.00 C ATOM 738 CG ASP A 46 -8.215 20.509 -21.017 1.00 0.00 C ATOM 739 OD1 ASP A 46 -8.537 21.708 -21.189 1.00 0.00 O ATOM 740 OD2 ASP A 46 -7.920 19.759 -21.981 1.00 0.00 O ATOM 0 H ASP A 46 -6.321 18.291 -19.919 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.415 20.994 -19.181 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.524 18.898 -19.658 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.978 20.469 -19.028 1.00 0.00 H new ATOM 745 N GLU A 47 -6.841 18.918 -16.753 1.00 0.00 N ATOM 746 CA GLU A 47 -6.980 18.841 -15.307 1.00 0.00 C ATOM 747 C GLU A 47 -5.760 19.498 -14.680 1.00 0.00 C ATOM 748 O GLU A 47 -5.873 20.297 -13.749 1.00 0.00 O ATOM 749 CB GLU A 47 -7.112 17.384 -14.818 1.00 0.00 C ATOM 750 CG GLU A 47 -8.315 16.630 -15.376 1.00 0.00 C ATOM 751 CD GLU A 47 -8.436 15.223 -14.815 1.00 0.00 C ATOM 752 OE1 GLU A 47 -7.670 14.330 -15.229 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.312 14.979 -13.967 1.00 0.00 O ATOM 0 H GLU A 47 -6.543 18.051 -17.200 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.893 19.358 -15.009 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.205 16.842 -15.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.174 17.385 -13.730 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.224 17.187 -15.150 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.235 16.578 -16.462 1.00 0.00 H new ATOM 760 N ILE A 48 -4.601 19.197 -15.254 1.00 0.00 N ATOM 761 CA ILE A 48 -3.320 19.748 -14.820 1.00 0.00 C ATOM 762 C ILE A 48 -3.358 21.279 -14.877 1.00 0.00 C ATOM 763 O ILE A 48 -3.028 21.957 -13.897 1.00 0.00 O ATOM 764 CB ILE A 48 -2.154 19.225 -15.720 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.078 17.695 -15.654 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.821 19.846 -15.309 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.011 17.071 -16.529 1.00 0.00 C ATOM 0 H ILE A 48 -4.522 18.556 -16.043 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.144 19.424 -13.794 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.359 19.522 -16.749 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.899 17.399 -14.620 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.047 17.285 -15.939 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.028 19.464 -15.952 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.878 20.930 -15.409 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.604 19.588 -14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.035 15.987 -16.415 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.198 17.330 -17.571 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.032 17.446 -16.232 1.00 0.00 H new ATOM 779 N LEU A 49 -3.824 21.803 -16.012 1.00 0.00 N ATOM 780 CA LEU A 49 -3.908 23.207 -16.282 1.00 0.00 C ATOM 781 C LEU A 49 -4.704 23.970 -15.222 1.00 0.00 C ATOM 782 O LEU A 49 -4.382 25.116 -14.905 1.00 0.00 O ATOM 783 CB LEU A 49 -4.548 23.396 -17.642 1.00 0.00 C ATOM 784 CG LEU A 49 -3.798 22.827 -18.848 1.00 0.00 C ATOM 785 CD1 LEU A 49 -4.553 23.127 -20.135 1.00 0.00 C ATOM 786 CD2 LEU A 49 -2.371 23.361 -18.925 1.00 0.00 C ATOM 0 H LEU A 49 -4.160 21.227 -16.784 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.897 23.615 -16.263 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.539 22.944 -17.616 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.689 24.465 -17.804 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.738 21.746 -18.721 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.005 22.715 -20.983 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.544 22.675 -20.089 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.651 24.206 -20.256 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.869 22.935 -19.794 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.393 24.447 -19.015 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.829 23.083 -18.021 1.00 0.00 H new ATOM 798 N LYS A 50 -5.719 23.327 -14.656 1.00 0.00 N ATOM 799 CA LYS A 50 -6.551 23.955 -13.665 1.00 0.00 C ATOM 800 C LYS A 50 -5.765 24.245 -12.408 1.00 0.00 C ATOM 801 O LYS A 50 -5.863 25.337 -11.839 1.00 0.00 O ATOM 802 CB LYS A 50 -7.729 23.087 -13.327 1.00 0.00 C ATOM 803 CG LYS A 50 -8.635 22.661 -14.489 1.00 0.00 C ATOM 804 CD LYS A 50 -9.329 23.810 -15.251 1.00 0.00 C ATOM 805 CE LYS A 50 -8.422 24.474 -16.295 1.00 0.00 C ATOM 806 NZ LYS A 50 -9.135 25.492 -17.082 1.00 0.00 N ATOM 0 H LYS A 50 -5.978 22.365 -14.876 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.910 24.894 -14.085 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.357 22.186 -12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.341 23.616 -12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.039 22.086 -15.198 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.402 21.991 -14.101 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.220 23.424 -15.746 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.662 24.563 -14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.571 24.935 -15.794 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.024 23.712 -16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.484 25.914 -17.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.932 25.049 -17.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.493 26.234 -16.447 1.00 0.00 H new ATOM 820 N ALA A 51 -4.960 23.282 -12.003 1.00 0.00 N ATOM 821 CA ALA A 51 -4.151 23.401 -10.808 1.00 0.00 C ATOM 822 C ALA A 51 -3.015 24.383 -11.041 1.00 0.00 C ATOM 823 O ALA A 51 -2.749 25.235 -10.200 1.00 0.00 O ATOM 824 CB ALA A 51 -3.617 22.043 -10.404 1.00 0.00 C ATOM 0 H ALA A 51 -4.849 22.395 -12.494 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.770 23.781 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.010 22.144 -9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.450 21.369 -10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.006 21.638 -11.210 1.00 0.00 H new ATOM 830 N VAL A 52 -2.390 24.289 -12.218 1.00 0.00 N ATOM 831 CA VAL A 52 -1.290 25.191 -12.640 1.00 0.00 C ATOM 832 C VAL A 52 -1.709 26.656 -12.530 1.00 0.00 C ATOM 833 O VAL A 52 -0.927 27.516 -12.125 1.00 0.00 O ATOM 834 CB VAL A 52 -0.871 24.885 -14.118 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.166 25.868 -14.647 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.329 23.483 -14.227 1.00 0.00 C ATOM 0 H VAL A 52 -2.627 23.584 -12.916 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.444 25.015 -11.976 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.769 24.989 -14.727 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.421 25.610 -15.675 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.242 26.878 -14.617 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.062 25.820 -14.028 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.042 23.283 -15.259 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.543 23.379 -13.581 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.096 22.772 -13.920 1.00 0.00 H new ATOM 846 N HIS A 53 -2.951 26.897 -12.842 1.00 0.00 N ATOM 847 CA HIS A 53 -3.522 28.225 -12.867 1.00 0.00 C ATOM 848 C HIS A 53 -3.758 28.771 -11.462 1.00 0.00 C ATOM 849 O HIS A 53 -3.650 29.968 -11.227 1.00 0.00 O ATOM 850 CB HIS A 53 -4.843 28.148 -13.597 1.00 0.00 C ATOM 851 CG HIS A 53 -5.421 29.470 -13.971 1.00 0.00 C ATOM 852 ND1 HIS A 53 -6.717 29.822 -13.709 1.00 0.00 N ATOM 853 CD2 HIS A 53 -4.880 30.507 -14.642 1.00 0.00 C ATOM 854 CE1 HIS A 53 -6.948 31.015 -14.208 1.00 0.00 C ATOM 855 NE2 HIS A 53 -5.848 31.453 -14.776 1.00 0.00 N ATOM 0 H HIS A 53 -3.614 26.163 -13.092 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.825 28.897 -13.367 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.710 27.555 -14.502 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.559 27.617 -12.970 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.865 30.574 -15.006 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.887 31.547 -14.159 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.738 32.354 -15.241 1.00 0.00 H new ATOM 863 N VAL A 54 -4.049 27.894 -10.546 1.00 0.00 N ATOM 864 CA VAL A 54 -4.421 28.300 -9.192 1.00 0.00 C ATOM 865 C VAL A 54 -3.198 28.389 -8.324 1.00 0.00 C ATOM 866 O VAL A 54 -2.897 29.419 -7.727 1.00 0.00 O ATOM 867 CB VAL A 54 -5.420 27.292 -8.557 1.00 0.00 C ATOM 868 CG1 VAL A 54 -5.713 27.642 -7.102 1.00 0.00 C ATOM 869 CG2 VAL A 54 -6.707 27.251 -9.347 1.00 0.00 C ATOM 0 H VAL A 54 -4.040 26.885 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.901 29.276 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.955 26.307 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.415 26.918 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.786 27.619 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.148 28.640 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.394 26.540 -8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.161 28.242 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.496 26.942 -10.371 1.00 0.00 H new ATOM 879 N LEU A 55 -2.489 27.302 -8.298 1.00 0.00 N ATOM 880 CA LEU A 55 -1.325 27.107 -7.527 1.00 0.00 C ATOM 881 C LEU A 55 -0.149 27.906 -8.064 1.00 0.00 C ATOM 882 O LEU A 55 0.905 27.957 -7.434 1.00 0.00 O ATOM 883 CB LEU A 55 -1.037 25.631 -7.605 1.00 0.00 C ATOM 884 CG LEU A 55 -1.856 24.671 -6.721 1.00 0.00 C ATOM 885 CD1 LEU A 55 -1.397 24.711 -5.290 1.00 0.00 C ATOM 886 CD2 LEU A 55 -3.360 24.915 -6.772 1.00 0.00 C ATOM 0 H LEU A 55 -2.734 26.483 -8.854 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.475 27.447 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.172 25.322 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.016 25.486 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.673 23.682 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.997 24.022 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.348 24.419 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.512 25.722 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.867 24.200 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.576 25.928 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.714 24.792 -7.795 1.00 0.00 H new ATOM 898 N GLU A 56 -0.356 28.524 -9.221 1.00 0.00 N ATOM 899 CA GLU A 56 0.634 29.315 -9.911 1.00 0.00 C ATOM 900 C GLU A 56 1.880 28.520 -10.192 1.00 0.00 C ATOM 901 O GLU A 56 2.906 28.637 -9.507 1.00 0.00 O ATOM 902 CB GLU A 56 0.919 30.648 -9.220 1.00 0.00 C ATOM 903 CG GLU A 56 -0.281 31.571 -9.215 1.00 0.00 C ATOM 904 CD GLU A 56 -0.028 32.856 -8.488 1.00 0.00 C ATOM 905 OE1 GLU A 56 0.497 33.814 -9.103 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.376 32.945 -7.295 1.00 0.00 O ATOM 0 H GLU A 56 -1.248 28.482 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 56 0.207 29.581 -10.878 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.233 30.461 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.751 31.142 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.567 31.792 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.125 31.059 -8.753 1.00 0.00 H new ATOM 913 N LEU A 57 1.744 27.647 -11.148 1.00 0.00 N ATOM 914 CA LEU A 57 2.800 26.796 -11.573 1.00 0.00 C ATOM 915 C LEU A 57 3.123 27.124 -13.009 1.00 0.00 C ATOM 916 O LEU A 57 2.521 28.041 -13.592 1.00 0.00 O ATOM 917 CB LEU A 57 2.390 25.345 -11.444 1.00 0.00 C ATOM 918 CG LEU A 57 1.876 24.885 -10.066 1.00 0.00 C ATOM 919 CD1 LEU A 57 1.480 23.420 -10.105 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.913 25.126 -8.977 1.00 0.00 C ATOM 0 H LEU A 57 0.873 27.510 -11.661 1.00 0.00 H new ATOM 0 HA LEU A 57 3.679 26.953 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.611 25.146 -12.180 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.246 24.726 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 57 0.994 25.480 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.120 23.114 -9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.690 23.276 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.345 22.816 -10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.518 24.790 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.821 24.570 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.143 26.190 -8.922 1.00 0.00 H new ATOM 932 N ASN A 58 4.033 26.410 -13.588 1.00 0.00 N ATOM 933 CA ASN A 58 4.409 26.642 -14.953 1.00 0.00 C ATOM 934 C ASN A 58 4.415 25.311 -15.697 1.00 0.00 C ATOM 935 O ASN A 58 4.751 24.295 -15.102 1.00 0.00 O ATOM 936 CB ASN A 58 5.799 27.278 -14.983 1.00 0.00 C ATOM 937 CG ASN A 58 6.272 27.602 -16.372 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.893 26.784 -17.029 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.981 28.774 -16.817 1.00 0.00 N ATOM 0 H ASN A 58 4.538 25.650 -13.133 1.00 0.00 H new ATOM 0 HA ASN A 58 3.701 27.315 -15.436 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.786 28.191 -14.388 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.512 26.601 -14.512 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.272 29.050 -17.755 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.459 29.427 -16.232 1.00 0.00 H new ATOM 946 N PRO A 59 4.020 25.291 -16.995 1.00 0.00 N ATOM 947 CA PRO A 59 4.024 24.072 -17.833 1.00 0.00 C ATOM 948 C PRO A 59 5.393 23.351 -17.910 1.00 0.00 C ATOM 949 O PRO A 59 5.455 22.158 -18.220 1.00 0.00 O ATOM 950 CB PRO A 59 3.604 24.576 -19.221 1.00 0.00 C ATOM 951 CG PRO A 59 3.730 26.059 -19.155 1.00 0.00 C ATOM 952 CD PRO A 59 3.470 26.431 -17.736 1.00 0.00 C ATOM 0 HA PRO A 59 3.359 23.320 -17.409 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.243 24.161 -20.000 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.582 24.278 -19.455 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.724 26.380 -19.467 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.015 26.541 -19.822 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.963 27.365 -17.466 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.406 26.564 -17.541 1.00 0.00 H new ATOM 960 N GLN A 60 6.477 24.055 -17.655 1.00 0.00 N ATOM 961 CA GLN A 60 7.788 23.426 -17.645 1.00 0.00 C ATOM 962 C GLN A 60 8.072 22.794 -16.308 1.00 0.00 C ATOM 963 O GLN A 60 8.750 21.784 -16.212 1.00 0.00 O ATOM 964 CB GLN A 60 8.880 24.410 -17.959 1.00 0.00 C ATOM 965 CG GLN A 60 9.003 24.777 -19.416 1.00 0.00 C ATOM 966 CD GLN A 60 7.836 25.559 -19.985 1.00 0.00 C ATOM 967 OE1 GLN A 60 7.806 26.778 -19.924 1.00 0.00 O ATOM 968 NE2 GLN A 60 6.905 24.883 -20.576 1.00 0.00 N ATOM 0 H GLN A 60 6.480 25.055 -17.453 1.00 0.00 H new ATOM 0 HA GLN A 60 7.772 22.658 -18.418 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.706 25.319 -17.384 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.830 23.996 -17.622 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.912 25.362 -19.551 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.124 23.862 -19.996 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.958 23.865 -20.611 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.118 25.368 -21.007 1.00 0.00 H new ATOM 977 N ASP A 61 7.484 23.369 -15.291 1.00 0.00 N ATOM 978 CA ASP A 61 7.698 22.976 -13.889 1.00 0.00 C ATOM 979 C ASP A 61 6.792 21.785 -13.507 1.00 0.00 C ATOM 980 O ASP A 61 6.786 21.330 -12.377 1.00 0.00 O ATOM 981 CB ASP A 61 7.397 24.196 -12.986 1.00 0.00 C ATOM 982 CG ASP A 61 8.472 24.486 -11.945 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.243 24.320 -10.738 1.00 0.00 O ATOM 984 OD2 ASP A 61 9.589 24.902 -12.332 1.00 0.00 O ATOM 0 H ASP A 61 6.826 24.141 -15.398 1.00 0.00 H new ATOM 0 HA ASP A 61 8.732 22.659 -13.753 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.270 25.077 -13.616 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.448 24.030 -12.475 1.00 0.00 H new ATOM 989 N ILE A 62 6.080 21.265 -14.493 1.00 0.00 N ATOM 990 CA ILE A 62 5.123 20.156 -14.331 1.00 0.00 C ATOM 991 C ILE A 62 5.689 18.834 -13.708 1.00 0.00 C ATOM 992 O ILE A 62 5.067 18.300 -12.777 1.00 0.00 O ATOM 993 CB ILE A 62 4.358 19.858 -15.656 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.509 21.069 -16.059 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.488 18.597 -15.560 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.518 21.530 -15.013 1.00 0.00 C ATOM 0 H ILE A 62 6.145 21.602 -15.454 1.00 0.00 H new ATOM 0 HA ILE A 62 4.429 20.533 -13.580 1.00 0.00 H new ATOM 0 HB ILE A 62 5.105 19.669 -16.427 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.175 21.898 -16.297 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.965 20.825 -16.971 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.977 18.435 -16.509 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.118 17.736 -15.335 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.750 18.723 -14.768 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.965 22.390 -15.390 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.822 20.721 -14.789 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.052 21.811 -14.105 1.00 0.00 H new ATOM 1008 N PRO A 63 6.891 18.299 -14.128 1.00 0.00 N ATOM 1009 CA PRO A 63 7.363 16.999 -13.630 1.00 0.00 C ATOM 1010 C PRO A 63 7.865 17.089 -12.213 1.00 0.00 C ATOM 1011 O PRO A 63 8.080 16.092 -11.531 1.00 0.00 O ATOM 1012 CB PRO A 63 8.480 16.625 -14.576 1.00 0.00 C ATOM 1013 CG PRO A 63 8.994 17.901 -15.125 1.00 0.00 C ATOM 1014 CD PRO A 63 7.886 18.914 -15.034 1.00 0.00 C ATOM 0 HA PRO A 63 6.564 16.258 -13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.267 16.079 -14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.116 15.976 -15.372 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.866 18.236 -14.563 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.311 17.772 -16.160 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.248 19.863 -14.639 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.456 19.120 -16.014 1.00 0.00 H new ATOM 1022 N LYS A 64 7.997 18.290 -11.782 1.00 0.00 N ATOM 1023 CA LYS A 64 8.438 18.611 -10.459 1.00 0.00 C ATOM 1024 C LYS A 64 7.253 18.516 -9.504 1.00 0.00 C ATOM 1025 O LYS A 64 7.419 18.337 -8.312 1.00 0.00 O ATOM 1026 CB LYS A 64 8.975 20.034 -10.457 1.00 0.00 C ATOM 1027 CG LYS A 64 10.020 20.299 -11.536 1.00 0.00 C ATOM 1028 CD LYS A 64 10.456 21.752 -11.563 1.00 0.00 C ATOM 1029 CE LYS A 64 11.001 22.242 -10.227 1.00 0.00 C ATOM 1030 NZ LYS A 64 11.278 23.692 -10.259 1.00 0.00 N ATOM 0 H LYS A 64 7.796 19.110 -12.354 1.00 0.00 H new ATOM 0 HA LYS A 64 9.219 17.919 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.144 20.726 -10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.412 20.246 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.888 19.663 -11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.613 20.025 -12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.221 21.881 -12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.608 22.373 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.282 22.024 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.915 21.700 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.306 23.849 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.870 24.104 -11.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.854 24.145 -9.425 1.00 0.00 H new ATOM 1044 N TYR A 65 6.057 18.603 -10.058 1.00 0.00 N ATOM 1045 CA TYR A 65 4.853 18.619 -9.275 1.00 0.00 C ATOM 1046 C TYR A 65 3.979 17.410 -9.482 1.00 0.00 C ATOM 1047 O TYR A 65 3.767 16.633 -8.565 1.00 0.00 O ATOM 1048 CB TYR A 65 4.070 19.882 -9.563 1.00 0.00 C ATOM 1049 CG TYR A 65 4.690 21.085 -8.951 1.00 0.00 C ATOM 1050 CD1 TYR A 65 5.341 22.035 -9.707 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.646 21.243 -7.597 1.00 0.00 C ATOM 1052 CE1 TYR A 65 5.931 23.120 -9.109 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.225 22.321 -6.981 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.870 23.259 -7.741 1.00 0.00 C ATOM 1055 OH TYR A 65 6.457 24.344 -7.135 1.00 0.00 O ATOM 0 H TYR A 65 5.902 18.664 -11.064 1.00 0.00 H new ATOM 0 HA TYR A 65 5.163 18.594 -8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.997 20.023 -10.641 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.053 19.770 -9.187 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.387 21.925 -10.780 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.143 20.500 -6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.440 23.860 -9.708 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.173 22.430 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 65 6.441 25.109 -7.747 1.00 0.00 H new ATOM 1065 N PHE A 66 3.520 17.225 -10.700 1.00 0.00 N ATOM 1066 CA PHE A 66 2.537 16.181 -11.023 1.00 0.00 C ATOM 1067 C PHE A 66 3.192 14.832 -11.224 1.00 0.00 C ATOM 1068 O PHE A 66 2.563 13.867 -11.664 1.00 0.00 O ATOM 1069 CB PHE A 66 1.710 16.594 -12.245 1.00 0.00 C ATOM 1070 CG PHE A 66 0.904 17.842 -12.005 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.451 19.096 -12.227 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.395 17.760 -11.534 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.722 20.238 -11.983 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -1.132 18.901 -11.292 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.569 20.141 -11.516 1.00 0.00 C ATOM 0 H PHE A 66 3.809 17.786 -11.502 1.00 0.00 H new ATOM 0 HA PHE A 66 1.864 16.075 -10.172 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.376 16.754 -13.093 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.039 15.779 -12.517 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.463 19.178 -12.596 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.837 16.791 -11.354 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.162 21.208 -12.158 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.146 18.824 -10.928 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.142 21.036 -11.325 1.00 0.00 H new