USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=20 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 58 ASN : amide:sc= -0.0927 K(o=0.18,f=-5.4!) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.276 K(o=0.18,f=-0.35) USER MOD Set 2.1: A 18 THR OG1 : rot -170:sc= -0.151 USER MOD Set 2.2: A 21 ASN : amide:sc= 1.17 K(o=1,f=-1.5) USER MOD Set 3.1: A 7 SER OG : rot -91:sc= 0.891 USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0768 USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.19) USER MOD Single : A 13 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 15 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.627) USER MOD Single : A 16 CYS SG : rot 110:sc= -0.808 USER MOD Single : A 19 GLN : amide:sc= -0.848 K(o=-0.85,f=-1.6) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -148:sc= -0.565 (180deg=-2.08) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 65:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -0.374 (180deg=-0.895!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 40 LYS NZ :NH3+ -111:sc= -1.02 (180deg=-2.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= -0.0743 (180deg=-0.361) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0.857 (180deg=0.624) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= 1.26 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 5.539 14.054 -4.958 1.00 0.00 N ATOM 81 CA TYR A 5 4.456 15.034 -5.049 1.00 0.00 C ATOM 82 C TYR A 5 4.516 16.039 -3.913 1.00 0.00 C ATOM 83 O TYR A 5 3.661 16.893 -3.814 1.00 0.00 O ATOM 84 CB TYR A 5 3.031 14.419 -5.114 1.00 0.00 C ATOM 85 CG TYR A 5 2.828 13.277 -6.092 1.00 0.00 C ATOM 86 CD1 TYR A 5 2.237 12.102 -5.661 1.00 0.00 C ATOM 87 CD2 TYR A 5 3.216 13.364 -7.425 1.00 0.00 C ATOM 88 CE1 TYR A 5 2.029 11.051 -6.514 1.00 0.00 C ATOM 89 CE2 TYR A 5 3.013 12.302 -8.293 1.00 0.00 C ATOM 90 CZ TYR A 5 2.415 11.147 -7.824 1.00 0.00 C ATOM 91 OH TYR A 5 2.189 10.080 -8.671 1.00 0.00 O ATOM 0 HA TYR A 5 4.627 15.534 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.767 14.065 -4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.328 15.213 -5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.933 12.012 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.681 14.269 -7.788 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.561 10.147 -6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.319 12.376 -9.326 1.00 0.00 H new ATOM 0 HH TYR A 5 2.517 10.299 -9.568 1.00 0.00 H new ATOM 101 N SER A 6 5.542 15.974 -3.088 1.00 0.00 N ATOM 102 CA SER A 6 5.677 16.888 -1.968 1.00 0.00 C ATOM 103 C SER A 6 5.868 18.336 -2.434 1.00 0.00 C ATOM 104 O SER A 6 5.369 19.267 -1.809 1.00 0.00 O ATOM 105 CB SER A 6 6.791 16.408 -1.047 1.00 0.00 C ATOM 106 OG SER A 6 7.817 15.780 -1.808 1.00 0.00 O ATOM 0 H SER A 6 6.298 15.295 -3.172 1.00 0.00 H new ATOM 0 HA SER A 6 4.749 16.888 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.203 17.251 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.391 15.708 -0.313 1.00 0.00 H new ATOM 0 HG SER A 6 8.530 15.476 -1.208 1.00 0.00 H new ATOM 112 N SER A 7 6.544 18.515 -3.559 1.00 0.00 N ATOM 113 CA SER A 7 6.709 19.837 -4.142 1.00 0.00 C ATOM 114 C SER A 7 5.343 20.318 -4.682 1.00 0.00 C ATOM 115 O SER A 7 4.993 21.501 -4.591 1.00 0.00 O ATOM 116 CB SER A 7 7.775 19.795 -5.258 1.00 0.00 C ATOM 117 OG SER A 7 8.074 21.092 -5.759 1.00 0.00 O ATOM 0 H SER A 7 6.987 17.762 -4.086 1.00 0.00 H new ATOM 0 HA SER A 7 7.055 20.541 -3.385 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.686 19.337 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.421 19.164 -6.073 1.00 0.00 H new ATOM 0 HG SER A 7 7.485 21.294 -6.516 1.00 0.00 H new ATOM 123 N LEU A 8 4.555 19.366 -5.185 1.00 0.00 N ATOM 124 CA LEU A 8 3.224 19.638 -5.707 1.00 0.00 C ATOM 125 C LEU A 8 2.314 20.037 -4.584 1.00 0.00 C ATOM 126 O LEU A 8 1.637 21.056 -4.655 1.00 0.00 O ATOM 127 CB LEU A 8 2.666 18.399 -6.412 1.00 0.00 C ATOM 128 CG LEU A 8 1.227 18.490 -6.921 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.029 19.705 -7.809 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.868 17.226 -7.660 1.00 0.00 C ATOM 0 H LEU A 8 4.827 18.384 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 8 3.287 20.452 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.313 18.169 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.731 17.557 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 8 0.565 18.603 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.005 19.739 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.253 20.609 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.696 19.640 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.158 17.295 -8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.543 17.095 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.960 16.373 -6.988 1.00 0.00 H new ATOM 142 N LEU A 9 2.330 19.238 -3.541 1.00 0.00 N ATOM 143 CA LEU A 9 1.568 19.465 -2.374 1.00 0.00 C ATOM 144 C LEU A 9 1.948 20.800 -1.747 1.00 0.00 C ATOM 145 O LEU A 9 1.119 21.467 -1.154 1.00 0.00 O ATOM 146 CB LEU A 9 1.800 18.326 -1.397 1.00 0.00 C ATOM 147 CG LEU A 9 1.244 16.946 -1.778 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.662 15.912 -0.747 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.276 16.982 -1.888 1.00 0.00 C ATOM 0 H LEU A 9 2.897 18.391 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 9 0.509 19.504 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.875 18.226 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.367 18.611 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 9 1.653 16.671 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.263 14.937 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.750 15.860 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.274 16.196 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.645 15.993 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.703 17.279 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.568 17.700 -2.654 1.00 0.00 H new ATOM 161 N GLY A 10 3.211 21.178 -1.907 1.00 0.00 N ATOM 162 CA GLY A 10 3.684 22.465 -1.450 1.00 0.00 C ATOM 163 C GLY A 10 2.951 23.590 -2.138 1.00 0.00 C ATOM 164 O GLY A 10 2.417 24.481 -1.479 1.00 0.00 O ATOM 0 H GLY A 10 3.925 20.602 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.547 22.544 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.753 22.552 -1.643 1.00 0.00 H new ATOM 168 N LYS A 11 2.873 23.514 -3.464 1.00 0.00 N ATOM 169 CA LYS A 11 2.145 24.467 -4.254 1.00 0.00 C ATOM 170 C LYS A 11 0.690 24.466 -3.856 1.00 0.00 C ATOM 171 O LYS A 11 0.079 25.515 -3.700 1.00 0.00 O ATOM 172 CB LYS A 11 2.271 24.116 -5.717 1.00 0.00 C ATOM 173 CG LYS A 11 3.514 24.605 -6.397 1.00 0.00 C ATOM 174 CD LYS A 11 3.539 26.132 -6.443 1.00 0.00 C ATOM 175 CE LYS A 11 4.651 26.651 -7.330 1.00 0.00 C ATOM 176 NZ LYS A 11 4.722 28.129 -7.319 1.00 0.00 N ATOM 0 H LYS A 11 3.321 22.779 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 11 2.559 25.460 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.227 23.031 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.407 24.520 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.393 24.238 -5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.562 24.205 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.581 26.500 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.666 26.524 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.604 26.239 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.493 26.303 -8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.414 28.449 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.787 28.523 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.015 28.455 -6.376 1.00 0.00 H new ATOM 190 N ILE A 12 0.156 23.281 -3.681 1.00 0.00 N ATOM 191 CA ILE A 12 -1.216 23.096 -3.234 1.00 0.00 C ATOM 192 C ILE A 12 -1.446 23.799 -1.883 1.00 0.00 C ATOM 193 O ILE A 12 -2.434 24.505 -1.708 1.00 0.00 O ATOM 194 CB ILE A 12 -1.596 21.583 -3.151 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.515 20.951 -4.550 1.00 0.00 C ATOM 196 CG2 ILE A 12 -2.994 21.404 -2.566 1.00 0.00 C ATOM 197 CD1 ILE A 12 -1.778 19.461 -4.592 1.00 0.00 C ATOM 0 H ILE A 12 0.659 22.409 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.871 23.554 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.889 21.081 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.233 21.450 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.524 21.142 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.235 20.342 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.026 21.829 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.721 21.913 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.699 19.106 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.045 18.945 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.780 19.258 -4.214 1.00 0.00 H new ATOM 209 N THR A 13 -0.497 23.676 -0.983 1.00 0.00 N ATOM 210 CA THR A 13 -0.594 24.289 0.337 1.00 0.00 C ATOM 211 C THR A 13 -0.536 25.822 0.238 1.00 0.00 C ATOM 212 O THR A 13 -1.219 26.546 0.966 1.00 0.00 O ATOM 213 CB THR A 13 0.563 23.827 1.247 1.00 0.00 C ATOM 214 OG1 THR A 13 0.637 22.387 1.268 1.00 0.00 O ATOM 215 CG2 THR A 13 0.355 24.334 2.667 1.00 0.00 C ATOM 0 H THR A 13 0.364 23.152 -1.137 1.00 0.00 H new ATOM 0 HA THR A 13 -1.549 23.979 0.761 1.00 0.00 H new ATOM 0 HB THR A 13 1.492 24.234 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.909 22.060 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.179 24.000 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.320 25.423 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.583 23.942 3.059 1.00 0.00 H new ATOM 223 N GLU A 14 0.247 26.299 -0.675 1.00 0.00 N ATOM 224 CA GLU A 14 0.469 27.700 -0.800 1.00 0.00 C ATOM 225 C GLU A 14 -0.580 28.394 -1.638 1.00 0.00 C ATOM 226 O GLU A 14 -0.777 29.599 -1.518 1.00 0.00 O ATOM 227 CB GLU A 14 1.837 27.931 -1.342 1.00 0.00 C ATOM 228 CG GLU A 14 2.942 27.565 -0.380 1.00 0.00 C ATOM 229 CD GLU A 14 4.301 27.706 -0.991 1.00 0.00 C ATOM 230 OE1 GLU A 14 4.666 28.838 -1.407 1.00 0.00 O ATOM 231 OE2 GLU A 14 5.051 26.713 -1.035 1.00 0.00 O ATOM 0 H GLU A 14 0.750 25.727 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 14 0.387 28.142 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.958 27.352 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.938 28.982 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.876 28.200 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.802 26.537 -0.045 1.00 0.00 H new ATOM 238 N LYS A 15 -1.262 27.652 -2.464 1.00 0.00 N ATOM 239 CA LYS A 15 -2.226 28.229 -3.330 1.00 0.00 C ATOM 240 C LYS A 15 -3.626 27.963 -2.876 1.00 0.00 C ATOM 241 O LYS A 15 -4.499 28.804 -3.025 1.00 0.00 O ATOM 242 CB LYS A 15 -2.045 27.689 -4.726 1.00 0.00 C ATOM 243 CG LYS A 15 -1.938 28.790 -5.735 1.00 0.00 C ATOM 244 CD LYS A 15 -0.695 29.611 -5.441 1.00 0.00 C ATOM 245 CE LYS A 15 -0.937 31.089 -5.749 1.00 0.00 C ATOM 246 NZ LYS A 15 0.254 31.935 -5.501 1.00 0.00 N ATOM 0 H LYS A 15 -1.160 26.641 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.070 29.308 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.147 27.072 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.886 27.044 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.885 28.375 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.825 29.423 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.415 29.494 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.140 29.242 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.239 31.193 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.766 31.450 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.050 32.886 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.830 31.510 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.819 32.003 -6.372 1.00 0.00 H new ATOM 260 N CYS A 16 -3.843 26.816 -2.334 1.00 0.00 N ATOM 261 CA CYS A 16 -5.120 26.416 -1.960 1.00 0.00 C ATOM 262 C CYS A 16 -5.171 26.308 -0.463 1.00 0.00 C ATOM 263 O CYS A 16 -6.075 26.840 0.183 1.00 0.00 O ATOM 264 CB CYS A 16 -5.382 25.077 -2.604 1.00 0.00 C ATOM 265 SG CYS A 16 -5.288 25.086 -4.412 1.00 0.00 S ATOM 0 H CYS A 16 -3.113 26.130 -2.142 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.878 27.131 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.662 24.355 -2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.372 24.731 -2.305 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.231 24.433 -4.795 1.00 0.00 H new ATOM 271 N GLY A 17 -4.185 25.637 0.083 1.00 0.00 N ATOM 272 CA GLY A 17 -4.113 25.439 1.487 1.00 0.00 C ATOM 273 C GLY A 17 -3.856 24.010 1.810 1.00 0.00 C ATOM 274 O GLY A 17 -2.829 23.656 2.358 1.00 0.00 O ATOM 0 H GLY A 17 -3.418 25.219 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.320 26.059 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.046 25.759 1.952 1.00 0.00 H new ATOM 278 N THR A 18 -4.777 23.199 1.429 1.00 0.00 N ATOM 279 CA THR A 18 -4.746 21.777 1.669 1.00 0.00 C ATOM 280 C THR A 18 -5.297 21.077 0.441 1.00 0.00 C ATOM 281 O THR A 18 -5.736 21.758 -0.519 1.00 0.00 O ATOM 282 CB THR A 18 -5.634 21.414 2.885 1.00 0.00 C ATOM 283 OG1 THR A 18 -6.993 21.831 2.635 1.00 0.00 O ATOM 284 CG2 THR A 18 -5.125 22.102 4.136 1.00 0.00 C ATOM 0 H THR A 18 -5.608 23.505 0.923 1.00 0.00 H new ATOM 0 HA THR A 18 -3.721 21.467 1.873 1.00 0.00 H new ATOM 0 HB THR A 18 -5.598 20.335 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.518 21.747 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.760 21.836 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.102 21.783 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.146 23.182 3.991 1.00 0.00 H new ATOM 292 N GLN A 19 -5.317 19.752 0.462 1.00 0.00 N ATOM 293 CA GLN A 19 -5.837 18.972 -0.608 1.00 0.00 C ATOM 294 C GLN A 19 -7.341 19.213 -0.728 1.00 0.00 C ATOM 295 O GLN A 19 -7.905 19.197 -1.832 1.00 0.00 O ATOM 296 CB GLN A 19 -5.572 17.531 -0.287 1.00 0.00 C ATOM 297 CG GLN A 19 -5.823 16.586 -1.408 1.00 0.00 C ATOM 298 CD GLN A 19 -4.883 16.802 -2.578 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.816 16.216 -2.639 1.00 0.00 O ATOM 300 NE2 GLN A 19 -5.270 17.637 -3.507 1.00 0.00 N ATOM 0 H GLN A 19 -4.963 19.198 1.242 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.366 19.243 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.534 17.429 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.194 17.242 0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.717 15.563 -1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.852 16.698 -1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.170 18.111 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.672 17.815 -4.314 1.00 0.00 H new ATOM 309 N TYR A 20 -7.966 19.437 0.421 1.00 0.00 N ATOM 310 CA TYR A 20 -9.382 19.758 0.526 1.00 0.00 C ATOM 311 C TYR A 20 -9.680 21.017 -0.248 1.00 0.00 C ATOM 312 O TYR A 20 -10.482 21.024 -1.165 1.00 0.00 O ATOM 313 CB TYR A 20 -9.742 19.996 1.989 1.00 0.00 C ATOM 314 CG TYR A 20 -11.208 20.286 2.228 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.174 19.331 1.966 1.00 0.00 C ATOM 316 CD2 TYR A 20 -11.621 21.522 2.711 1.00 0.00 C ATOM 317 CE1 TYR A 20 -13.509 19.595 2.171 1.00 0.00 C ATOM 318 CE2 TYR A 20 -12.957 21.792 2.923 1.00 0.00 C ATOM 319 CZ TYR A 20 -13.897 20.821 2.650 1.00 0.00 C ATOM 320 OH TYR A 20 -15.236 21.083 2.847 1.00 0.00 O ATOM 0 H TYR A 20 -7.492 19.400 1.324 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.963 18.928 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.458 19.118 2.569 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.152 20.832 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.875 18.362 1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.885 22.283 2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.250 18.839 1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.264 22.756 3.300 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.344 21.994 3.191 1.00 0.00 H new ATOM 330 N ASN A 21 -9.017 22.069 0.150 1.00 0.00 N ATOM 331 CA ASN A 21 -9.138 23.399 -0.465 1.00 0.00 C ATOM 332 C ASN A 21 -8.874 23.335 -1.973 1.00 0.00 C ATOM 333 O ASN A 21 -9.535 24.022 -2.761 1.00 0.00 O ATOM 334 CB ASN A 21 -8.123 24.336 0.150 1.00 0.00 C ATOM 335 CG ASN A 21 -8.337 24.685 1.623 1.00 0.00 C ATOM 336 OD1 ASN A 21 -8.999 23.968 2.375 1.00 0.00 O ATOM 337 ND2 ASN A 21 -7.718 25.755 2.054 1.00 0.00 N ATOM 0 H ASN A 21 -8.358 22.043 0.928 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.153 23.757 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.135 23.889 0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.118 25.262 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.776 26.016 3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.178 26.328 1.405 1.00 0.00 H new ATOM 344 N PHE A 22 -7.881 22.532 -2.350 1.00 0.00 N ATOM 345 CA PHE A 22 -7.526 22.277 -3.754 1.00 0.00 C ATOM 346 C PHE A 22 -8.724 21.732 -4.476 1.00 0.00 C ATOM 347 O PHE A 22 -9.114 22.225 -5.529 1.00 0.00 O ATOM 348 CB PHE A 22 -6.427 21.226 -3.802 1.00 0.00 C ATOM 349 CG PHE A 22 -5.896 20.895 -5.182 1.00 0.00 C ATOM 350 CD1 PHE A 22 -6.416 19.829 -5.891 1.00 0.00 C ATOM 351 CD2 PHE A 22 -4.877 21.631 -5.756 1.00 0.00 C ATOM 352 CE1 PHE A 22 -5.935 19.502 -7.141 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.392 21.304 -7.012 1.00 0.00 C ATOM 354 CZ PHE A 22 -4.923 20.239 -7.701 1.00 0.00 C ATOM 0 H PHE A 22 -7.291 22.032 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.192 23.204 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.596 21.567 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.805 20.310 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.213 19.242 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.455 22.469 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.355 18.665 -7.679 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.595 21.887 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.544 19.984 -8.680 1.00 0.00 H new ATOM 364 N ALA A 23 -9.284 20.695 -3.888 1.00 0.00 N ATOM 365 CA ALA A 23 -10.469 20.031 -4.403 1.00 0.00 C ATOM 366 C ALA A 23 -11.596 21.042 -4.619 1.00 0.00 C ATOM 367 O ALA A 23 -12.242 21.035 -5.653 1.00 0.00 O ATOM 368 CB ALA A 23 -10.922 18.948 -3.439 1.00 0.00 C ATOM 0 H ALA A 23 -8.926 20.282 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.221 19.573 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.811 18.457 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.126 18.214 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.155 19.395 -2.473 1.00 0.00 H new ATOM 374 N ILE A 24 -11.785 21.934 -3.643 1.00 0.00 N ATOM 375 CA ILE A 24 -12.799 22.977 -3.704 1.00 0.00 C ATOM 376 C ILE A 24 -12.601 23.855 -4.947 1.00 0.00 C ATOM 377 O ILE A 24 -13.528 24.069 -5.733 1.00 0.00 O ATOM 378 CB ILE A 24 -12.709 23.876 -2.461 1.00 0.00 C ATOM 379 CG1 ILE A 24 -12.789 23.041 -1.183 1.00 0.00 C ATOM 380 CG2 ILE A 24 -13.796 24.952 -2.474 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.071 22.279 -0.978 1.00 0.00 C ATOM 0 H ILE A 24 -11.233 21.949 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.774 22.491 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.742 24.379 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.962 22.331 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.641 23.702 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.705 25.571 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.681 25.575 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.777 24.478 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.018 21.723 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.907 22.977 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.218 21.584 -1.805 1.00 0.00 H new ATOM 393 N ALA A 25 -11.377 24.316 -5.134 1.00 0.00 N ATOM 394 CA ALA A 25 -11.034 25.200 -6.245 1.00 0.00 C ATOM 395 C ALA A 25 -11.118 24.476 -7.592 1.00 0.00 C ATOM 396 O ALA A 25 -11.422 25.083 -8.621 1.00 0.00 O ATOM 397 CB ALA A 25 -9.643 25.783 -6.044 1.00 0.00 C ATOM 0 H ALA A 25 -10.591 24.091 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.763 26.011 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.400 26.440 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.618 26.353 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.913 24.975 -5.994 1.00 0.00 H new ATOM 403 N MET A 26 -10.871 23.189 -7.572 1.00 0.00 N ATOM 404 CA MET A 26 -10.883 22.360 -8.778 1.00 0.00 C ATOM 405 C MET A 26 -12.269 21.817 -9.106 1.00 0.00 C ATOM 406 O MET A 26 -12.476 21.243 -10.177 1.00 0.00 O ATOM 407 CB MET A 26 -9.896 21.202 -8.631 1.00 0.00 C ATOM 408 CG MET A 26 -8.435 21.589 -8.798 1.00 0.00 C ATOM 409 SD MET A 26 -7.995 21.951 -10.513 1.00 0.00 S ATOM 410 CE MET A 26 -8.260 20.339 -11.273 1.00 0.00 C ATOM 0 H MET A 26 -10.653 22.673 -6.719 1.00 0.00 H new ATOM 0 HA MET A 26 -10.583 23.003 -9.606 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.029 20.752 -7.647 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.142 20.437 -9.367 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.223 22.463 -8.182 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.805 20.779 -8.430 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.556 20.204 -12.094 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.105 19.557 -10.530 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.279 20.280 -11.655 1.00 0.00 H new ATOM 420 N GLY A 27 -13.209 21.991 -8.197 1.00 0.00 N ATOM 421 CA GLY A 27 -14.541 21.454 -8.403 1.00 0.00 C ATOM 422 C GLY A 27 -14.538 19.952 -8.237 1.00 0.00 C ATOM 423 O GLY A 27 -15.217 19.222 -8.961 1.00 0.00 O ATOM 0 H GLY A 27 -13.079 22.493 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.234 21.903 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.894 21.715 -9.401 1.00 0.00 H new ATOM 427 N LEU A 28 -13.766 19.504 -7.287 1.00 0.00 N ATOM 428 CA LEU A 28 -13.575 18.108 -7.010 1.00 0.00 C ATOM 429 C LEU A 28 -13.871 17.838 -5.563 1.00 0.00 C ATOM 430 O LEU A 28 -14.074 18.761 -4.773 1.00 0.00 O ATOM 431 CB LEU A 28 -12.115 17.721 -7.258 1.00 0.00 C ATOM 432 CG LEU A 28 -11.568 17.895 -8.666 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.102 17.552 -8.685 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.295 16.999 -9.618 1.00 0.00 C ATOM 0 H LEU A 28 -13.237 20.117 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.238 17.534 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.493 18.307 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.993 16.675 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.709 18.932 -8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.712 17.677 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.565 18.212 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.966 16.518 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.894 17.133 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.166 15.961 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.356 17.249 -9.615 1.00 0.00 H new ATOM 446 N SER A 29 -13.884 16.595 -5.226 1.00 0.00 N ATOM 447 CA SER A 29 -14.013 16.164 -3.887 1.00 0.00 C ATOM 448 C SER A 29 -12.667 15.583 -3.483 1.00 0.00 C ATOM 449 O SER A 29 -12.073 14.830 -4.268 1.00 0.00 O ATOM 450 CB SER A 29 -15.115 15.143 -3.804 1.00 0.00 C ATOM 451 OG SER A 29 -16.325 15.683 -4.311 1.00 0.00 O ATOM 0 H SER A 29 -13.802 15.832 -5.898 1.00 0.00 H new ATOM 0 HA SER A 29 -14.276 16.978 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.840 14.254 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.254 14.831 -2.769 1.00 0.00 H new ATOM 0 HG SER A 29 -17.034 15.009 -4.253 1.00 0.00 H new ATOM 457 N GLU A 30 -12.183 15.954 -2.293 1.00 0.00 N ATOM 458 CA GLU A 30 -10.834 15.613 -1.777 1.00 0.00 C ATOM 459 C GLU A 30 -10.408 14.168 -2.052 1.00 0.00 C ATOM 460 O GLU A 30 -9.283 13.925 -2.493 1.00 0.00 O ATOM 461 CB GLU A 30 -10.736 15.915 -0.274 1.00 0.00 C ATOM 462 CG GLU A 30 -11.821 15.244 0.546 1.00 0.00 C ATOM 463 CD GLU A 30 -11.541 15.229 2.013 1.00 0.00 C ATOM 464 OE1 GLU A 30 -12.135 16.028 2.764 1.00 0.00 O ATOM 465 OE2 GLU A 30 -10.748 14.381 2.451 1.00 0.00 O ATOM 0 H GLU A 30 -12.726 16.515 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.140 16.246 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.762 15.591 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.791 16.993 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.767 15.757 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.945 14.219 0.198 1.00 0.00 H new ATOM 472 N ARG A 31 -11.318 13.237 -1.843 1.00 0.00 N ATOM 473 CA ARG A 31 -11.067 11.817 -2.027 1.00 0.00 C ATOM 474 C ARG A 31 -10.719 11.528 -3.460 1.00 0.00 C ATOM 475 O ARG A 31 -9.731 10.873 -3.749 1.00 0.00 O ATOM 476 CB ARG A 31 -12.322 11.056 -1.692 1.00 0.00 C ATOM 477 CG ARG A 31 -12.189 9.542 -1.733 1.00 0.00 C ATOM 478 CD ARG A 31 -11.240 8.988 -0.675 1.00 0.00 C ATOM 479 NE ARG A 31 -11.163 7.518 -0.740 1.00 0.00 N ATOM 480 CZ ARG A 31 -10.352 6.739 0.004 1.00 0.00 C ATOM 481 NH1 ARG A 31 -9.584 7.274 0.948 1.00 0.00 N ATOM 482 NH2 ARG A 31 -10.339 5.426 -0.187 1.00 0.00 N ATOM 0 H ARG A 31 -12.268 13.447 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.240 11.519 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.651 11.349 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.106 11.355 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.174 9.094 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.836 9.242 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.246 9.413 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.578 9.293 0.315 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.777 7.049 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.606 8.280 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.973 6.678 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.942 5.008 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.726 4.835 0.375 1.00 0.00 H new ATOM 496 N THR A 32 -11.504 12.092 -4.334 1.00 0.00 N ATOM 497 CA THR A 32 -11.425 11.841 -5.745 1.00 0.00 C ATOM 498 C THR A 32 -10.091 12.353 -6.291 1.00 0.00 C ATOM 499 O THR A 32 -9.407 11.656 -7.045 1.00 0.00 O ATOM 500 CB THR A 32 -12.619 12.523 -6.456 1.00 0.00 C ATOM 501 OG1 THR A 32 -13.839 12.178 -5.752 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.729 12.050 -7.895 1.00 0.00 C ATOM 0 H THR A 32 -12.235 12.756 -4.078 1.00 0.00 H new ATOM 0 HA THR A 32 -11.477 10.769 -5.933 1.00 0.00 H new ATOM 0 HB THR A 32 -12.464 13.602 -6.453 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.603 12.606 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.575 12.542 -8.376 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.813 12.298 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.879 10.971 -7.913 1.00 0.00 H new ATOM 510 N VAL A 33 -9.704 13.539 -5.842 1.00 0.00 N ATOM 511 CA VAL A 33 -8.457 14.158 -6.241 1.00 0.00 C ATOM 512 C VAL A 33 -7.324 13.309 -5.779 1.00 0.00 C ATOM 513 O VAL A 33 -6.397 13.034 -6.527 1.00 0.00 O ATOM 514 CB VAL A 33 -8.244 15.508 -5.568 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.481 16.405 -6.432 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.495 16.135 -5.156 1.00 0.00 C ATOM 0 H VAL A 33 -10.252 14.098 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.499 14.275 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.670 15.317 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.342 17.362 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.508 15.963 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.023 16.560 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.283 17.094 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.127 16.294 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.011 15.487 -4.448 1.00 0.00 H new ATOM 526 N SER A 34 -7.421 12.883 -4.534 1.00 0.00 N ATOM 527 CA SER A 34 -6.404 12.117 -3.919 1.00 0.00 C ATOM 528 C SER A 34 -6.199 10.789 -4.661 1.00 0.00 C ATOM 529 O SER A 34 -5.077 10.362 -4.857 1.00 0.00 O ATOM 530 CB SER A 34 -6.705 11.887 -2.436 1.00 0.00 C ATOM 531 OG SER A 34 -6.860 13.128 -1.742 1.00 0.00 O ATOM 0 H SER A 34 -8.223 13.071 -3.933 1.00 0.00 H new ATOM 0 HA SER A 34 -5.473 12.681 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.614 11.294 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.897 11.312 -1.983 1.00 0.00 H new ATOM 0 HG SER A 34 -7.649 13.598 -2.084 1.00 0.00 H new ATOM 537 N LEU A 35 -7.298 10.185 -5.126 1.00 0.00 N ATOM 538 CA LEU A 35 -7.233 8.931 -5.864 1.00 0.00 C ATOM 539 C LEU A 35 -6.419 9.103 -7.155 1.00 0.00 C ATOM 540 O LEU A 35 -5.574 8.250 -7.495 1.00 0.00 O ATOM 541 CB LEU A 35 -8.644 8.409 -6.197 1.00 0.00 C ATOM 542 CG LEU A 35 -9.587 8.144 -5.010 1.00 0.00 C ATOM 543 CD1 LEU A 35 -10.945 7.677 -5.502 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.001 7.129 -4.038 1.00 0.00 C ATOM 0 H LEU A 35 -8.242 10.550 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.736 8.198 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.125 9.130 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.538 7.482 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.708 9.085 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.598 7.495 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.385 8.445 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.828 6.756 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.697 6.970 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.830 6.185 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.055 7.504 -3.646 1.00 0.00 H new ATOM 556 N LYS A 36 -6.649 10.212 -7.852 1.00 0.00 N ATOM 557 CA LYS A 36 -5.956 10.503 -9.079 1.00 0.00 C ATOM 558 C LYS A 36 -4.536 10.957 -8.829 1.00 0.00 C ATOM 559 O LYS A 36 -3.651 10.698 -9.632 1.00 0.00 O ATOM 560 CB LYS A 36 -6.682 11.572 -9.873 1.00 0.00 C ATOM 561 CG LYS A 36 -7.934 11.122 -10.593 1.00 0.00 C ATOM 562 CD LYS A 36 -9.120 11.934 -10.151 1.00 0.00 C ATOM 563 CE LYS A 36 -10.358 11.622 -10.975 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.164 11.961 -12.400 1.00 0.00 N ATOM 0 H LYS A 36 -7.322 10.926 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.932 9.575 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.947 12.384 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.991 11.984 -10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.797 11.224 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.115 10.066 -10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.324 11.735 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.885 12.995 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.600 10.563 -10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.208 12.179 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.737 11.324 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.458 12.945 -12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.160 11.854 -12.649 1.00 0.00 H new ATOM 578 N LEU A 37 -4.330 11.654 -7.726 1.00 0.00 N ATOM 579 CA LEU A 37 -3.039 12.177 -7.382 1.00 0.00 C ATOM 580 C LEU A 37 -2.133 11.069 -7.046 1.00 0.00 C ATOM 581 O LEU A 37 -1.034 10.933 -7.592 1.00 0.00 O ATOM 582 CB LEU A 37 -3.099 12.979 -6.108 1.00 0.00 C ATOM 583 CG LEU A 37 -1.970 13.931 -5.838 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.175 15.184 -6.592 1.00 0.00 C ATOM 585 CD2 LEU A 37 -1.805 14.190 -4.353 1.00 0.00 C ATOM 0 H LEU A 37 -5.061 11.869 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.709 12.774 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.027 13.550 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.158 12.281 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.042 13.474 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.351 15.869 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.212 14.965 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.114 15.645 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.979 14.883 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.723 14.622 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.594 13.251 -3.841 1.00 0.00 H new ATOM 597 N ASN A 38 -2.626 10.274 -6.147 1.00 0.00 N ATOM 598 CA ASN A 38 -1.835 9.359 -5.455 1.00 0.00 C ATOM 599 C ASN A 38 -1.287 8.246 -6.350 1.00 0.00 C ATOM 600 O ASN A 38 -0.087 8.224 -6.672 1.00 0.00 O ATOM 601 CB ASN A 38 -2.580 8.778 -4.240 1.00 0.00 C ATOM 602 CG ASN A 38 -1.760 7.792 -3.423 1.00 0.00 C ATOM 603 OD1 ASN A 38 -0.540 7.874 -3.356 1.00 0.00 O ATOM 604 ND2 ASN A 38 -2.433 6.876 -2.764 1.00 0.00 N ATOM 0 H ASN A 38 -3.611 10.259 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.972 9.917 -5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.893 9.598 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.486 8.281 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.939 6.206 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.449 6.835 -2.842 1.00 0.00 H new ATOM 611 N ASP A 39 -2.190 7.380 -6.814 1.00 0.00 N ATOM 612 CA ASP A 39 -1.786 6.151 -7.551 1.00 0.00 C ATOM 613 C ASP A 39 -2.987 5.272 -7.980 1.00 0.00 C ATOM 614 O ASP A 39 -2.825 4.328 -8.747 1.00 0.00 O ATOM 615 CB ASP A 39 -0.808 5.310 -6.684 1.00 0.00 C ATOM 616 CG ASP A 39 -0.340 4.008 -7.319 1.00 0.00 C ATOM 617 OD1 ASP A 39 0.382 4.046 -8.354 1.00 0.00 O ATOM 618 OD2 ASP A 39 -0.609 2.924 -6.743 1.00 0.00 O ATOM 0 H ASP A 39 -3.198 7.492 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.294 6.485 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.066 5.919 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.293 5.080 -5.736 1.00 0.00 H new ATOM 623 N LYS A 40 -4.201 5.593 -7.526 1.00 0.00 N ATOM 624 CA LYS A 40 -5.351 4.771 -7.805 1.00 0.00 C ATOM 625 C LYS A 40 -5.700 4.845 -9.286 1.00 0.00 C ATOM 626 O LYS A 40 -6.031 3.840 -9.916 1.00 0.00 O ATOM 627 CB LYS A 40 -6.514 5.249 -6.941 1.00 0.00 C ATOM 628 CG LYS A 40 -6.243 5.236 -5.423 1.00 0.00 C ATOM 629 CD LYS A 40 -6.551 3.899 -4.683 1.00 0.00 C ATOM 630 CE LYS A 40 -5.764 2.675 -5.172 1.00 0.00 C ATOM 631 NZ LYS A 40 -6.365 2.036 -6.365 1.00 0.00 N ATOM 0 H LYS A 40 -4.400 6.421 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.135 3.729 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.777 6.264 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.382 4.622 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.194 5.485 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.834 6.027 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.350 4.038 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.616 3.687 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.743 2.977 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.705 1.943 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.752 1.107 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.129 2.638 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.637 1.914 -7.097 1.00 0.00 H new ATOM 645 N VAL A 41 -5.595 6.021 -9.825 1.00 0.00 N ATOM 646 CA VAL A 41 -5.832 6.270 -11.214 1.00 0.00 C ATOM 647 C VAL A 41 -4.947 7.458 -11.580 1.00 0.00 C ATOM 648 O VAL A 41 -4.452 8.134 -10.681 1.00 0.00 O ATOM 649 CB VAL A 41 -7.346 6.582 -11.483 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.771 7.849 -10.837 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.702 6.547 -12.966 1.00 0.00 C ATOM 0 H VAL A 41 -5.336 6.855 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.594 5.397 -11.822 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.914 5.777 -11.017 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.825 8.029 -11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.623 7.775 -9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.177 8.674 -11.229 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.762 6.770 -13.091 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.109 7.290 -13.500 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.490 5.556 -13.368 1.00 0.00 H new ATOM 661 N THR A 42 -4.691 7.670 -12.833 1.00 0.00 N ATOM 662 CA THR A 42 -3.880 8.782 -13.256 1.00 0.00 C ATOM 663 C THR A 42 -4.787 9.995 -13.467 1.00 0.00 C ATOM 664 O THR A 42 -6.011 9.836 -13.624 1.00 0.00 O ATOM 665 CB THR A 42 -3.213 8.441 -14.591 1.00 0.00 C ATOM 666 OG1 THR A 42 -2.920 7.033 -14.618 1.00 0.00 O ATOM 667 CG2 THR A 42 -1.907 9.214 -14.756 1.00 0.00 C ATOM 0 H THR A 42 -5.034 7.083 -13.593 1.00 0.00 H new ATOM 0 HA THR A 42 -3.122 8.994 -12.502 1.00 0.00 H new ATOM 0 HB THR A 42 -3.890 8.712 -15.401 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.494 6.804 -15.470 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.450 8.956 -15.711 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.112 10.284 -14.728 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.226 8.954 -13.946 1.00 0.00 H new ATOM 675 N TRP A 43 -4.211 11.172 -13.470 1.00 0.00 N ATOM 676 CA TRP A 43 -4.957 12.385 -13.729 1.00 0.00 C ATOM 677 C TRP A 43 -5.267 12.459 -15.206 1.00 0.00 C ATOM 678 O TRP A 43 -4.489 11.948 -16.039 1.00 0.00 O ATOM 679 CB TRP A 43 -4.119 13.630 -13.415 1.00 0.00 C ATOM 680 CG TRP A 43 -3.560 13.726 -12.042 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.201 14.171 -10.934 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.217 13.417 -11.640 1.00 0.00 C ATOM 683 NE1 TRP A 43 -3.353 14.143 -9.864 1.00 0.00 N ATOM 684 CE2 TRP A 43 -2.129 13.677 -10.268 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.088 12.932 -12.312 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -0.956 13.475 -9.539 1.00 0.00 C ATOM 687 CZ3 TRP A 43 0.075 12.733 -11.593 1.00 0.00 C ATOM 688 CH2 TRP A 43 0.131 13.001 -10.218 1.00 0.00 C ATOM 0 H TRP A 43 -3.217 11.319 -13.294 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.853 12.361 -13.108 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.292 13.671 -14.123 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.736 14.510 -13.594 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.229 14.499 -10.902 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.593 14.425 -8.913 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.126 12.718 -13.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.909 13.685 -8.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.956 12.365 -12.099 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.054 12.829 -9.684 1.00 0.00 H new ATOM 699 N LYS A 44 -6.375 13.052 -15.538 1.00 0.00 N ATOM 700 CA LYS A 44 -6.647 13.393 -16.901 1.00 0.00 C ATOM 701 C LYS A 44 -5.826 14.620 -17.210 1.00 0.00 C ATOM 702 O LYS A 44 -5.523 15.408 -16.301 1.00 0.00 O ATOM 703 CB LYS A 44 -8.140 13.700 -17.146 1.00 0.00 C ATOM 704 CG LYS A 44 -9.054 12.496 -17.357 1.00 0.00 C ATOM 705 CD LYS A 44 -9.161 11.594 -16.144 1.00 0.00 C ATOM 706 CE LYS A 44 -10.056 10.398 -16.433 1.00 0.00 C ATOM 707 NZ LYS A 44 -9.520 9.551 -17.524 1.00 0.00 N ATOM 0 H LYS A 44 -7.109 13.311 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.393 12.549 -17.543 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.516 14.270 -16.296 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.217 14.345 -18.021 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.050 12.849 -17.625 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.684 11.913 -18.201 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.169 11.249 -15.854 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.561 12.157 -15.301 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.163 9.799 -15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.052 10.748 -16.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.994 8.625 -17.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.692 10.014 -18.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.497 9.418 -17.390 1.00 0.00 H new ATOM 721 N ASP A 45 -5.473 14.808 -18.453 1.00 0.00 N ATOM 722 CA ASP A 45 -4.663 15.962 -18.833 1.00 0.00 C ATOM 723 C ASP A 45 -5.410 17.253 -18.563 1.00 0.00 C ATOM 724 O ASP A 45 -4.809 18.248 -18.204 1.00 0.00 O ATOM 725 CB ASP A 45 -4.152 15.888 -20.288 1.00 0.00 C ATOM 726 CG ASP A 45 -5.243 15.875 -21.330 1.00 0.00 C ATOM 727 OD1 ASP A 45 -5.504 16.912 -21.970 1.00 0.00 O ATOM 728 OD2 ASP A 45 -5.874 14.813 -21.534 1.00 0.00 O ATOM 0 H ASP A 45 -5.725 14.189 -19.224 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.772 15.945 -18.206 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.498 16.740 -20.475 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.546 14.989 -20.402 1.00 0.00 H new ATOM 733 N ASP A 46 -6.731 17.193 -18.654 1.00 0.00 N ATOM 734 CA ASP A 46 -7.600 18.335 -18.341 1.00 0.00 C ATOM 735 C ASP A 46 -7.458 18.740 -16.876 1.00 0.00 C ATOM 736 O ASP A 46 -7.405 19.929 -16.550 1.00 0.00 O ATOM 737 CB ASP A 46 -9.063 17.993 -18.647 1.00 0.00 C ATOM 738 CG ASP A 46 -10.030 19.054 -18.165 1.00 0.00 C ATOM 739 OD1 ASP A 46 -10.231 20.072 -18.862 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.616 18.891 -17.087 1.00 0.00 O ATOM 0 H ASP A 46 -7.237 16.356 -18.946 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.292 19.174 -18.965 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.183 17.861 -19.722 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.314 17.041 -18.179 1.00 0.00 H new ATOM 745 N GLU A 47 -7.330 17.744 -16.012 1.00 0.00 N ATOM 746 CA GLU A 47 -7.206 17.974 -14.580 1.00 0.00 C ATOM 747 C GLU A 47 -5.853 18.601 -14.296 1.00 0.00 C ATOM 748 O GLU A 47 -5.732 19.520 -13.484 1.00 0.00 O ATOM 749 CB GLU A 47 -7.367 16.659 -13.805 1.00 0.00 C ATOM 750 CG GLU A 47 -8.706 15.978 -14.042 1.00 0.00 C ATOM 751 CD GLU A 47 -8.843 14.658 -13.314 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.244 13.660 -13.738 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.608 14.578 -12.338 1.00 0.00 O ATOM 0 H GLU A 47 -7.309 16.760 -16.281 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.995 18.651 -14.252 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.566 15.977 -14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.252 16.858 -12.739 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.507 16.645 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.837 15.811 -15.111 1.00 0.00 H new ATOM 760 N ILE A 48 -4.849 18.120 -15.012 1.00 0.00 N ATOM 761 CA ILE A 48 -3.503 18.635 -14.906 1.00 0.00 C ATOM 762 C ILE A 48 -3.464 20.103 -15.347 1.00 0.00 C ATOM 763 O ILE A 48 -3.001 20.951 -14.600 1.00 0.00 O ATOM 764 CB ILE A 48 -2.502 17.788 -15.745 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.514 16.331 -15.257 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.091 18.371 -15.660 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.612 15.399 -16.041 1.00 0.00 C ATOM 0 H ILE A 48 -4.950 17.359 -15.684 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.198 18.569 -13.862 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.813 17.814 -16.789 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.215 16.309 -14.209 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.535 15.953 -15.305 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.409 17.762 -16.254 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.095 19.391 -16.044 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.761 18.376 -14.621 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.683 14.392 -15.629 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.922 15.386 -17.086 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.581 15.748 -15.973 1.00 0.00 H new ATOM 779 N LEU A 49 -4.011 20.389 -16.537 1.00 0.00 N ATOM 780 CA LEU A 49 -4.063 21.711 -17.117 1.00 0.00 C ATOM 781 C LEU A 49 -4.706 22.705 -16.174 1.00 0.00 C ATOM 782 O LEU A 49 -4.184 23.800 -15.934 1.00 0.00 O ATOM 783 CB LEU A 49 -4.930 21.647 -18.352 1.00 0.00 C ATOM 784 CG LEU A 49 -4.438 20.860 -19.547 1.00 0.00 C ATOM 785 CD1 LEU A 49 -5.517 20.866 -20.604 1.00 0.00 C ATOM 786 CD2 LEU A 49 -3.151 21.456 -20.100 1.00 0.00 C ATOM 0 H LEU A 49 -4.438 19.676 -17.129 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.044 22.029 -17.336 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.894 21.232 -18.058 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.111 22.670 -18.682 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.221 19.836 -19.242 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.178 20.302 -21.473 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.421 20.407 -20.204 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.732 21.893 -20.899 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.819 20.872 -20.958 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.330 22.486 -20.410 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.381 21.438 -19.329 1.00 0.00 H new ATOM 798 N LYS A 50 -5.832 22.306 -15.642 1.00 0.00 N ATOM 799 CA LYS A 50 -6.637 23.132 -14.799 1.00 0.00 C ATOM 800 C LYS A 50 -5.909 23.440 -13.495 1.00 0.00 C ATOM 801 O LYS A 50 -6.036 24.541 -12.942 1.00 0.00 O ATOM 802 CB LYS A 50 -7.931 22.413 -14.567 1.00 0.00 C ATOM 803 CG LYS A 50 -9.117 23.334 -14.463 1.00 0.00 C ATOM 804 CD LYS A 50 -10.383 22.648 -14.867 1.00 0.00 C ATOM 805 CE LYS A 50 -10.351 22.339 -16.349 1.00 0.00 C ATOM 806 NZ LYS A 50 -11.453 21.459 -16.774 1.00 0.00 N ATOM 0 H LYS A 50 -6.219 21.374 -15.790 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.836 24.094 -15.271 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.098 21.709 -15.382 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.854 21.828 -13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.209 23.696 -13.439 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.957 24.207 -15.096 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.506 21.727 -14.297 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.240 23.282 -14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.400 23.272 -16.911 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.400 21.868 -16.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.526 21.471 -17.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.266 20.488 -16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.346 21.796 -16.360 1.00 0.00 H new ATOM 820 N ALA A 51 -5.113 22.483 -13.035 1.00 0.00 N ATOM 821 CA ALA A 51 -4.291 22.671 -11.862 1.00 0.00 C ATOM 822 C ALA A 51 -3.143 23.616 -12.193 1.00 0.00 C ATOM 823 O ALA A 51 -2.904 24.551 -11.467 1.00 0.00 O ATOM 824 CB ALA A 51 -3.770 21.338 -11.338 1.00 0.00 C ATOM 0 H ALA A 51 -5.024 21.563 -13.466 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.898 23.114 -11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.154 21.510 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.611 20.697 -11.075 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.171 20.853 -12.109 1.00 0.00 H new ATOM 830 N VAL A 52 -2.476 23.382 -13.334 1.00 0.00 N ATOM 831 CA VAL A 52 -1.356 24.228 -13.848 1.00 0.00 C ATOM 832 C VAL A 52 -1.684 25.719 -13.767 1.00 0.00 C ATOM 833 O VAL A 52 -0.878 26.520 -13.280 1.00 0.00 O ATOM 834 CB VAL A 52 -1.016 23.851 -15.338 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.008 24.790 -15.955 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.486 22.439 -15.416 1.00 0.00 C ATOM 0 H VAL A 52 -2.692 22.593 -13.943 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.492 24.032 -13.213 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.946 23.940 -15.900 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.207 24.486 -16.983 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.381 25.808 -15.946 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.932 24.749 -15.379 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.256 22.194 -16.453 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.419 22.356 -14.814 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.238 21.747 -15.038 1.00 0.00 H new ATOM 846 N HIS A 53 -2.888 26.053 -14.170 1.00 0.00 N ATOM 847 CA HIS A 53 -3.364 27.433 -14.230 1.00 0.00 C ATOM 848 C HIS A 53 -3.447 28.052 -12.832 1.00 0.00 C ATOM 849 O HIS A 53 -3.225 29.244 -12.650 1.00 0.00 O ATOM 850 CB HIS A 53 -4.749 27.439 -14.864 1.00 0.00 C ATOM 851 CG HIS A 53 -5.253 28.790 -15.290 1.00 0.00 C ATOM 852 ND1 HIS A 53 -6.093 29.570 -14.524 1.00 0.00 N ATOM 853 CD2 HIS A 53 -5.048 29.481 -16.434 1.00 0.00 C ATOM 854 CE1 HIS A 53 -6.380 30.671 -15.180 1.00 0.00 C ATOM 855 NE2 HIS A 53 -5.760 30.642 -16.339 1.00 0.00 N ATOM 0 H HIS A 53 -3.582 25.369 -14.472 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.663 28.022 -14.821 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.735 26.783 -15.735 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.458 27.012 -14.154 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.435 29.172 -17.268 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.019 31.467 -14.826 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.804 31.370 -17.052 1.00 0.00 H new ATOM 863 N VAL A 54 -3.750 27.235 -11.872 1.00 0.00 N ATOM 864 CA VAL A 54 -3.958 27.683 -10.506 1.00 0.00 C ATOM 865 C VAL A 54 -2.649 27.615 -9.725 1.00 0.00 C ATOM 866 O VAL A 54 -2.273 28.541 -9.011 1.00 0.00 O ATOM 867 CB VAL A 54 -5.039 26.799 -9.806 1.00 0.00 C ATOM 868 CG1 VAL A 54 -5.208 27.170 -8.336 1.00 0.00 C ATOM 869 CG2 VAL A 54 -6.375 26.914 -10.522 1.00 0.00 C ATOM 0 H VAL A 54 -3.864 26.230 -12.002 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.305 28.716 -10.528 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.692 25.767 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.969 26.533 -7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.261 27.030 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.515 28.213 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.113 26.290 -10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.707 27.952 -10.508 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.264 26.582 -11.554 1.00 0.00 H new ATOM 879 N LEU A 55 -1.954 26.534 -9.929 1.00 0.00 N ATOM 880 CA LEU A 55 -0.768 26.163 -9.234 1.00 0.00 C ATOM 881 C LEU A 55 0.467 26.854 -9.784 1.00 0.00 C ATOM 882 O LEU A 55 1.588 26.545 -9.373 1.00 0.00 O ATOM 883 CB LEU A 55 -0.661 24.666 -9.372 1.00 0.00 C ATOM 884 CG LEU A 55 -1.524 23.766 -8.450 1.00 0.00 C ATOM 885 CD1 LEU A 55 -0.790 23.435 -7.187 1.00 0.00 C ATOM 886 CD2 LEU A 55 -2.863 24.391 -8.068 1.00 0.00 C ATOM 0 H LEU A 55 -2.223 25.847 -10.633 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.825 26.471 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.905 24.412 -10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.383 24.394 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.722 22.867 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.416 22.803 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.132 22.906 -7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.550 24.355 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.413 23.706 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.689 25.328 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.444 24.586 -8.969 1.00 0.00 H new ATOM 898 N GLU A 56 0.241 27.760 -10.742 1.00 0.00 N ATOM 899 CA GLU A 56 1.270 28.646 -11.310 1.00 0.00 C ATOM 900 C GLU A 56 2.294 27.858 -12.115 1.00 0.00 C ATOM 901 O GLU A 56 3.438 28.308 -12.300 1.00 0.00 O ATOM 902 CB GLU A 56 2.004 29.404 -10.199 1.00 0.00 C ATOM 903 CG GLU A 56 1.116 30.120 -9.214 1.00 0.00 C ATOM 904 CD GLU A 56 1.894 30.595 -8.025 1.00 0.00 C ATOM 905 OE1 GLU A 56 1.764 31.768 -7.650 1.00 0.00 O ATOM 906 OE2 GLU A 56 2.641 29.786 -7.425 1.00 0.00 O ATOM 0 H GLU A 56 -0.681 27.903 -11.154 1.00 0.00 H new ATOM 0 HA GLU A 56 0.760 29.351 -11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.630 28.699 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.671 30.133 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.639 30.970 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.319 29.452 -8.887 1.00 0.00 H new ATOM 913 N LEU A 57 1.890 26.742 -12.641 1.00 0.00 N ATOM 914 CA LEU A 57 2.808 25.870 -13.312 1.00 0.00 C ATOM 915 C LEU A 57 2.930 26.188 -14.794 1.00 0.00 C ATOM 916 O LEU A 57 2.276 27.110 -15.316 1.00 0.00 O ATOM 917 CB LEU A 57 2.425 24.426 -13.104 1.00 0.00 C ATOM 918 CG LEU A 57 2.341 23.930 -11.652 1.00 0.00 C ATOM 919 CD1 LEU A 57 1.892 22.486 -11.613 1.00 0.00 C ATOM 920 CD2 LEU A 57 3.678 24.087 -10.936 1.00 0.00 C ATOM 0 H LEU A 57 0.925 26.411 -12.619 1.00 0.00 H new ATOM 0 HA LEU A 57 3.789 26.038 -12.868 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.456 24.261 -13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.147 23.804 -13.633 1.00 0.00 H new ATOM 0 HG LEU A 57 1.605 24.543 -11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.838 22.150 -10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.909 22.398 -12.075 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.606 21.868 -12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.586 23.727 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.440 23.507 -11.457 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.965 25.139 -10.927 1.00 0.00 H new ATOM 932 N ASN A 58 3.775 25.438 -15.444 1.00 0.00 N ATOM 933 CA ASN A 58 4.044 25.523 -16.851 1.00 0.00 C ATOM 934 C ASN A 58 4.205 24.092 -17.343 1.00 0.00 C ATOM 935 O ASN A 58 4.605 23.244 -16.546 1.00 0.00 O ATOM 936 CB ASN A 58 5.359 26.295 -17.055 1.00 0.00 C ATOM 937 CG ASN A 58 5.750 26.452 -18.511 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.457 25.621 -19.075 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.281 27.488 -19.121 1.00 0.00 N ATOM 0 H ASN A 58 4.323 24.713 -14.981 1.00 0.00 H new ATOM 0 HA ASN A 58 3.248 26.036 -17.391 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.264 27.283 -16.604 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.160 25.778 -16.526 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.494 27.639 -20.107 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.697 28.156 -18.617 1.00 0.00 H new ATOM 946 N PRO A 59 3.858 23.774 -18.620 1.00 0.00 N ATOM 947 CA PRO A 59 4.052 22.431 -19.211 1.00 0.00 C ATOM 948 C PRO A 59 5.462 21.831 -18.956 1.00 0.00 C ATOM 949 O PRO A 59 5.617 20.622 -18.815 1.00 0.00 O ATOM 950 CB PRO A 59 3.837 22.656 -20.724 1.00 0.00 C ATOM 951 CG PRO A 59 3.657 24.135 -20.897 1.00 0.00 C ATOM 952 CD PRO A 59 3.181 24.661 -19.577 1.00 0.00 C ATOM 0 HA PRO A 59 3.365 21.713 -18.763 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.691 22.297 -21.298 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.962 22.112 -21.080 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.594 24.609 -21.189 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.934 24.349 -21.684 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.460 25.704 -19.431 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.096 24.605 -19.485 1.00 0.00 H new ATOM 960 N GLN A 60 6.464 22.682 -18.853 1.00 0.00 N ATOM 961 CA GLN A 60 7.844 22.234 -18.636 1.00 0.00 C ATOM 962 C GLN A 60 8.076 21.775 -17.200 1.00 0.00 C ATOM 963 O GLN A 60 9.012 21.031 -16.912 1.00 0.00 O ATOM 964 CB GLN A 60 8.798 23.340 -19.002 1.00 0.00 C ATOM 965 CG GLN A 60 8.671 23.738 -20.443 1.00 0.00 C ATOM 966 CD GLN A 60 9.549 24.900 -20.806 1.00 0.00 C ATOM 967 OE1 GLN A 60 10.704 24.731 -21.210 1.00 0.00 O ATOM 968 NE2 GLN A 60 9.018 26.083 -20.670 1.00 0.00 N ATOM 0 H GLN A 60 6.357 23.694 -18.915 1.00 0.00 H new ATOM 0 HA GLN A 60 8.025 21.372 -19.278 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.609 24.207 -18.369 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.820 23.018 -18.804 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.925 22.886 -21.074 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.633 23.993 -20.654 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.060 26.176 -20.333 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.561 26.915 -20.901 1.00 0.00 H new ATOM 977 N ASP A 61 7.200 22.192 -16.317 1.00 0.00 N ATOM 978 CA ASP A 61 7.245 21.837 -14.940 1.00 0.00 C ATOM 979 C ASP A 61 6.477 20.545 -14.699 1.00 0.00 C ATOM 980 O ASP A 61 6.524 19.972 -13.618 1.00 0.00 O ATOM 981 CB ASP A 61 6.636 22.959 -14.118 1.00 0.00 C ATOM 982 CG ASP A 61 7.632 23.969 -13.583 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.543 25.169 -13.939 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.531 23.594 -12.813 1.00 0.00 O ATOM 0 H ASP A 61 6.419 22.804 -16.555 1.00 0.00 H new ATOM 0 HA ASP A 61 8.282 21.682 -14.643 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.903 23.483 -14.731 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.096 22.523 -13.278 1.00 0.00 H new ATOM 989 N ILE A 62 5.801 20.073 -15.729 1.00 0.00 N ATOM 990 CA ILE A 62 4.968 18.877 -15.640 1.00 0.00 C ATOM 991 C ILE A 62 5.707 17.585 -15.234 1.00 0.00 C ATOM 992 O ILE A 62 5.282 16.954 -14.291 1.00 0.00 O ATOM 993 CB ILE A 62 4.086 18.657 -16.903 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.085 19.810 -17.036 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.358 17.305 -16.883 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.175 20.008 -15.838 1.00 0.00 C ATOM 0 H ILE A 62 5.810 20.504 -16.653 1.00 0.00 H new ATOM 0 HA ILE A 62 4.305 19.096 -14.803 1.00 0.00 H new ATOM 0 HB ILE A 62 4.745 18.641 -17.771 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.638 20.733 -17.211 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.468 19.636 -17.918 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.757 17.202 -17.786 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.090 16.498 -16.840 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.710 17.254 -16.008 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.503 20.845 -16.026 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.590 19.103 -15.672 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.777 20.217 -14.954 1.00 0.00 H new ATOM 1008 N PRO A 63 6.864 17.199 -15.859 1.00 0.00 N ATOM 1009 CA PRO A 63 7.502 15.901 -15.561 1.00 0.00 C ATOM 1010 C PRO A 63 8.229 15.895 -14.225 1.00 0.00 C ATOM 1011 O PRO A 63 8.813 14.891 -13.810 1.00 0.00 O ATOM 1012 CB PRO A 63 8.467 15.715 -16.704 1.00 0.00 C ATOM 1013 CG PRO A 63 8.872 17.093 -17.091 1.00 0.00 C ATOM 1014 CD PRO A 63 7.671 17.972 -16.845 1.00 0.00 C ATOM 0 HA PRO A 63 6.770 15.099 -15.474 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.329 15.120 -16.401 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.997 15.193 -17.537 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.726 17.427 -16.502 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.173 17.130 -18.138 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.961 18.945 -16.450 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.113 18.155 -17.764 1.00 0.00 H new ATOM 1022 N LYS A 64 8.240 17.036 -13.616 1.00 0.00 N ATOM 1023 CA LYS A 64 8.828 17.225 -12.314 1.00 0.00 C ATOM 1024 C LYS A 64 7.788 16.859 -11.248 1.00 0.00 C ATOM 1025 O LYS A 64 8.071 16.130 -10.301 1.00 0.00 O ATOM 1026 CB LYS A 64 9.208 18.696 -12.119 1.00 0.00 C ATOM 1027 CG LYS A 64 9.938 19.350 -13.283 1.00 0.00 C ATOM 1028 CD LYS A 64 10.241 20.804 -12.955 1.00 0.00 C ATOM 1029 CE LYS A 64 10.866 21.545 -14.123 1.00 0.00 C ATOM 1030 NZ LYS A 64 10.947 22.991 -13.854 1.00 0.00 N ATOM 0 H LYS A 64 7.834 17.885 -14.011 1.00 0.00 H new ATOM 0 HA LYS A 64 9.716 16.599 -12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.299 19.263 -11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.835 18.775 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.865 18.814 -13.489 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.328 19.291 -14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.319 21.307 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.914 20.847 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.864 21.152 -14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.277 21.372 -15.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.794 23.518 -14.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.218 23.257 -13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.887 23.221 -13.472 1.00 0.00 H new ATOM 1044 N TYR A 65 6.579 17.385 -11.437 1.00 0.00 N ATOM 1045 CA TYR A 65 5.484 17.228 -10.495 1.00 0.00 C ATOM 1046 C TYR A 65 4.577 16.068 -10.864 1.00 0.00 C ATOM 1047 O TYR A 65 4.419 15.116 -10.106 1.00 0.00 O ATOM 1048 CB TYR A 65 4.638 18.508 -10.451 1.00 0.00 C ATOM 1049 CG TYR A 65 5.325 19.716 -9.867 1.00 0.00 C ATOM 1050 CD1 TYR A 65 5.145 20.036 -8.548 1.00 0.00 C ATOM 1051 CD2 TYR A 65 6.142 20.535 -10.630 1.00 0.00 C ATOM 1052 CE1 TYR A 65 5.750 21.128 -7.989 1.00 0.00 C ATOM 1053 CE2 TYR A 65 6.758 21.636 -10.078 1.00 0.00 C ATOM 1054 CZ TYR A 65 6.554 21.923 -8.748 1.00 0.00 C ATOM 1055 OH TYR A 65 7.164 23.008 -8.167 1.00 0.00 O ATOM 0 H TYR A 65 6.335 17.937 -12.259 1.00 0.00 H new ATOM 0 HA TYR A 65 5.930 17.027 -9.521 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.319 18.747 -11.465 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.737 18.308 -9.872 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.511 19.412 -7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.298 20.306 -11.674 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.590 21.360 -6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.394 22.267 -10.682 1.00 0.00 H new ATOM 0 HH TYR A 65 7.706 23.476 -8.836 1.00 0.00 H new ATOM 1065 N PHE A 66 3.990 16.153 -12.029 1.00 0.00 N ATOM 1066 CA PHE A 66 3.019 15.189 -12.460 1.00 0.00 C ATOM 1067 C PHE A 66 3.681 14.103 -13.263 1.00 0.00 C ATOM 1068 O PHE A 66 3.577 14.061 -14.497 1.00 0.00 O ATOM 1069 CB PHE A 66 1.889 15.840 -13.284 1.00 0.00 C ATOM 1070 CG PHE A 66 1.062 16.858 -12.545 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.066 16.471 -11.845 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.401 18.200 -12.567 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -0.840 17.398 -11.178 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.634 19.132 -11.901 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.490 18.731 -11.206 1.00 0.00 C ATOM 0 H PHE A 66 4.174 16.895 -12.705 1.00 0.00 H new ATOM 0 HA PHE A 66 2.571 14.756 -11.566 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.329 16.319 -14.159 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.228 15.054 -13.649 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.345 15.428 -11.820 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.276 18.521 -13.112 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.718 17.080 -10.635 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.912 20.175 -11.923 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.093 19.460 -10.686 1.00 0.00 H new