USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 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= -0.526 K(o=-0.52,f=-5.7!) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.00127 X(o=-0.52,f=-0.53) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= -0.0529 USER MOD Set 2.2: A 21 ASN : amide:sc= 1.07 K(o=1,f=-1.9!) USER MOD Single : A 5 TYR OH : rot -124:sc= 1.1 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.00902 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0.929) USER MOD Single : A 13 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ -119:sc= 1.7 (180deg=-0.7) USER MOD Single : A 16 CYS SG : rot -104:sc= -1.55! USER MOD Single : A 19 GLN : amide:sc= -0.0865 K(o=-0.086,f=-1.1) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 164:sc= -0.25 (180deg=-0.79) 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 63:sc= 1.3 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.15) USER MOD Single : A 38 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) 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+ 161:sc= -0.0984 (180deg=-0.513) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 1.18 (180deg=1.01) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 30:sc=-0.00878 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 4.791 13.648 -3.601 1.00 0.00 N ATOM 81 CA TYR A 5 3.839 14.717 -3.720 1.00 0.00 C ATOM 82 C TYR A 5 4.129 15.874 -2.786 1.00 0.00 C ATOM 83 O TYR A 5 3.329 16.766 -2.719 1.00 0.00 O ATOM 84 CB TYR A 5 2.419 14.233 -3.434 1.00 0.00 C ATOM 85 CG TYR A 5 1.909 13.160 -4.343 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.469 13.462 -5.623 1.00 0.00 C ATOM 87 CD2 TYR A 5 1.838 11.848 -3.912 1.00 0.00 C ATOM 88 CE1 TYR A 5 0.965 12.477 -6.449 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.347 10.861 -4.724 1.00 0.00 C ATOM 90 CZ TYR A 5 0.909 11.173 -5.988 1.00 0.00 C ATOM 91 OH TYR A 5 0.387 10.178 -6.776 1.00 0.00 O ATOM 0 HA TYR A 5 3.927 15.063 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.379 13.866 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.744 15.087 -3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.521 14.481 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.176 11.597 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.619 12.721 -7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.304 9.841 -4.372 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.345 9.733 -6.300 1.00 0.00 H new ATOM 101 N SER A 6 5.272 15.909 -2.118 1.00 0.00 N ATOM 102 CA SER A 6 5.493 16.948 -1.088 1.00 0.00 C ATOM 103 C SER A 6 5.453 18.370 -1.671 1.00 0.00 C ATOM 104 O SER A 6 4.843 19.277 -1.084 1.00 0.00 O ATOM 105 CB SER A 6 6.784 16.695 -0.283 1.00 0.00 C ATOM 106 OG SER A 6 7.925 16.625 -1.127 1.00 0.00 O ATOM 0 H SER A 6 6.046 15.259 -2.253 1.00 0.00 H new ATOM 0 HA SER A 6 4.659 16.874 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.920 17.493 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.688 15.764 0.276 1.00 0.00 H new ATOM 0 HG SER A 6 8.725 16.466 -0.583 1.00 0.00 H new ATOM 112 N SER A 7 6.050 18.537 -2.838 1.00 0.00 N ATOM 113 CA SER A 7 6.071 19.810 -3.532 1.00 0.00 C ATOM 114 C SER A 7 4.656 20.165 -4.019 1.00 0.00 C ATOM 115 O SER A 7 4.220 21.321 -3.962 1.00 0.00 O ATOM 116 CB SER A 7 7.010 19.678 -4.724 1.00 0.00 C ATOM 117 OG SER A 7 8.216 19.029 -4.330 1.00 0.00 O ATOM 0 H SER A 7 6.536 17.789 -3.332 1.00 0.00 H new ATOM 0 HA SER A 7 6.413 20.600 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.525 19.110 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.235 20.664 -5.130 1.00 0.00 H new ATOM 0 HG SER A 7 8.812 18.948 -5.104 1.00 0.00 H new ATOM 123 N LEU A 8 3.932 19.141 -4.433 1.00 0.00 N ATOM 124 CA LEU A 8 2.609 19.290 -4.999 1.00 0.00 C ATOM 125 C LEU A 8 1.636 19.629 -3.863 1.00 0.00 C ATOM 126 O LEU A 8 0.860 20.585 -3.962 1.00 0.00 O ATOM 127 CB LEU A 8 2.258 17.976 -5.774 1.00 0.00 C ATOM 128 CG LEU A 8 1.195 18.027 -6.890 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.064 16.668 -7.548 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.132 18.425 -6.354 1.00 0.00 C ATOM 0 H LEU A 8 4.252 18.174 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 8 2.546 20.106 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.180 17.598 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.930 17.239 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 8 1.521 18.769 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.311 16.716 -8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.022 16.379 -7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.765 15.930 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.859 18.452 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.453 17.703 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.059 19.413 -5.899 1.00 0.00 H new ATOM 142 N LEU A 9 1.758 18.900 -2.760 1.00 0.00 N ATOM 143 CA LEU A 9 0.995 19.111 -1.566 1.00 0.00 C ATOM 144 C LEU A 9 1.275 20.494 -0.990 1.00 0.00 C ATOM 145 O LEU A 9 0.403 21.106 -0.370 1.00 0.00 O ATOM 146 CB LEU A 9 1.361 18.025 -0.558 1.00 0.00 C ATOM 147 CG LEU A 9 0.845 16.602 -0.837 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.378 15.632 0.205 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.681 16.563 -0.853 1.00 0.00 C ATOM 0 H LEU A 9 2.416 18.124 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.069 19.057 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.448 17.982 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.990 18.333 0.420 1.00 0.00 H new ATOM 0 HG LEU A 9 1.206 16.302 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.004 14.630 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.468 15.627 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.045 15.943 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.017 15.545 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.063 16.888 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.054 17.227 -1.633 1.00 0.00 H new ATOM 161 N GLY A 10 2.487 20.985 -1.221 1.00 0.00 N ATOM 162 CA GLY A 10 2.873 22.304 -0.775 1.00 0.00 C ATOM 163 C GLY A 10 2.004 23.373 -1.393 1.00 0.00 C ATOM 164 O GLY A 10 1.403 24.174 -0.684 1.00 0.00 O ATOM 0 H GLY A 10 3.219 20.479 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.801 22.358 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.916 22.486 -1.034 1.00 0.00 H new ATOM 168 N LYS A 11 1.874 23.331 -2.708 1.00 0.00 N ATOM 169 CA LYS A 11 1.075 24.274 -3.443 1.00 0.00 C ATOM 170 C LYS A 11 -0.380 24.131 -3.116 1.00 0.00 C ATOM 171 O LYS A 11 -1.104 25.125 -3.005 1.00 0.00 O ATOM 172 CB LYS A 11 1.329 24.091 -4.911 1.00 0.00 C ATOM 173 CG LYS A 11 2.620 24.711 -5.350 1.00 0.00 C ATOM 174 CD LYS A 11 2.508 26.235 -5.354 1.00 0.00 C ATOM 175 CE LYS A 11 3.842 26.911 -5.587 1.00 0.00 C ATOM 176 NZ LYS A 11 4.777 26.679 -4.469 1.00 0.00 N ATOM 0 H LYS A 11 2.328 22.631 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 11 1.360 25.286 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.343 23.026 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.507 24.531 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.424 24.401 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.879 24.357 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.807 26.543 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.096 26.569 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.282 26.538 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.689 27.982 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.603 27.302 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.299 26.884 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.089 25.687 -4.477 1.00 0.00 H new ATOM 190 N ILE A 12 -0.797 22.899 -2.953 1.00 0.00 N ATOM 191 CA ILE A 12 -2.150 22.591 -2.518 1.00 0.00 C ATOM 192 C ILE A 12 -2.446 23.307 -1.203 1.00 0.00 C ATOM 193 O ILE A 12 -3.474 23.965 -1.056 1.00 0.00 O ATOM 194 CB ILE A 12 -2.367 21.059 -2.358 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.256 20.366 -3.719 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.704 20.754 -1.700 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.435 18.865 -3.670 1.00 0.00 C ATOM 0 H ILE A 12 -0.214 22.078 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.839 22.942 -3.286 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.586 20.671 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.004 20.788 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.280 20.590 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.824 19.675 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.736 21.213 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.511 21.155 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.341 18.454 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.671 18.428 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.422 18.629 -3.272 1.00 0.00 H new ATOM 209 N THR A 13 -1.516 23.237 -0.289 1.00 0.00 N ATOM 210 CA THR A 13 -1.670 23.867 0.995 1.00 0.00 C ATOM 211 C THR A 13 -1.647 25.389 0.851 1.00 0.00 C ATOM 212 O THR A 13 -2.465 26.090 1.442 1.00 0.00 O ATOM 213 CB THR A 13 -0.546 23.447 1.940 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.451 22.000 1.962 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.832 23.953 3.344 1.00 0.00 C ATOM 0 H THR A 13 -0.632 22.743 -0.413 1.00 0.00 H new ATOM 0 HA THR A 13 -2.629 23.551 1.406 1.00 0.00 H new ATOM 0 HB THR A 13 0.394 23.874 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.195 21.704 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.026 23.649 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.902 25.041 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.773 23.533 3.698 1.00 0.00 H new ATOM 223 N GLU A 14 -0.739 25.869 0.038 1.00 0.00 N ATOM 224 CA GLU A 14 -0.537 27.277 -0.166 1.00 0.00 C ATOM 225 C GLU A 14 -1.746 27.979 -0.749 1.00 0.00 C ATOM 226 O GLU A 14 -2.102 29.090 -0.329 1.00 0.00 O ATOM 227 CB GLU A 14 0.648 27.509 -1.072 1.00 0.00 C ATOM 228 CG GLU A 14 2.030 27.375 -0.464 1.00 0.00 C ATOM 229 CD GLU A 14 3.114 27.655 -1.497 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.751 26.701 -1.996 1.00 0.00 O ATOM 231 OE2 GLU A 14 3.324 28.839 -1.856 1.00 0.00 O ATOM 0 H GLU A 14 -0.110 25.280 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.357 27.702 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.577 26.809 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.560 28.512 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.132 28.068 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.158 26.370 -0.062 1.00 0.00 H new ATOM 238 N LYS A 15 -2.380 27.350 -1.690 1.00 0.00 N ATOM 239 CA LYS A 15 -3.398 27.983 -2.424 1.00 0.00 C ATOM 240 C LYS A 15 -4.759 27.618 -1.972 1.00 0.00 C ATOM 241 O LYS A 15 -5.635 28.471 -1.861 1.00 0.00 O ATOM 242 CB LYS A 15 -3.231 27.622 -3.862 1.00 0.00 C ATOM 243 CG LYS A 15 -2.730 28.768 -4.710 1.00 0.00 C ATOM 244 CD LYS A 15 -1.372 29.245 -4.203 1.00 0.00 C ATOM 245 CE LYS A 15 -0.961 30.554 -4.845 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.696 30.403 -6.282 1.00 0.00 N ATOM 0 H LYS A 15 -2.196 26.384 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.302 29.058 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.534 26.788 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.187 27.277 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.647 28.451 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.446 29.590 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.410 29.367 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.619 28.485 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.748 31.293 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.068 30.936 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.293 30.655 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.865 29.417 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.328 31.030 -6.819 1.00 0.00 H new ATOM 260 N CYS A 16 -4.947 26.385 -1.700 1.00 0.00 N ATOM 261 CA CYS A 16 -6.203 25.901 -1.398 1.00 0.00 C ATOM 262 C CYS A 16 -6.305 25.732 0.074 1.00 0.00 C ATOM 263 O CYS A 16 -7.286 26.110 0.679 1.00 0.00 O ATOM 264 CB CYS A 16 -6.365 24.581 -2.104 1.00 0.00 C ATOM 265 SG CYS A 16 -6.185 24.686 -3.895 1.00 0.00 S ATOM 0 H CYS A 16 -4.207 25.683 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.988 26.585 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.628 23.879 -1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.348 24.173 -1.870 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.357 24.617 -4.454 1.00 0.00 H new ATOM 271 N GLY A 17 -5.265 25.216 0.656 1.00 0.00 N ATOM 272 CA GLY A 17 -5.294 24.935 2.035 1.00 0.00 C ATOM 273 C GLY A 17 -5.037 23.498 2.302 1.00 0.00 C ATOM 274 O GLY A 17 -4.044 23.126 2.928 1.00 0.00 O ATOM 0 H GLY A 17 -4.390 24.985 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.546 25.541 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.265 25.214 2.444 1.00 0.00 H new ATOM 278 N THR A 18 -5.927 22.689 1.814 1.00 0.00 N ATOM 279 CA THR A 18 -5.885 21.257 2.001 1.00 0.00 C ATOM 280 C THR A 18 -6.337 20.569 0.720 1.00 0.00 C ATOM 281 O THR A 18 -6.756 21.249 -0.238 1.00 0.00 O ATOM 282 CB THR A 18 -6.833 20.836 3.149 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.180 21.219 2.820 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.425 21.510 4.445 1.00 0.00 C ATOM 0 H THR A 18 -6.724 23.006 1.261 1.00 0.00 H new ATOM 0 HA THR A 18 -4.864 20.966 2.250 1.00 0.00 H new ATOM 0 HB THR A 18 -6.773 19.755 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.782 20.952 3.545 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.101 21.204 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.406 21.219 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.474 22.592 4.323 1.00 0.00 H new ATOM 292 N GLN A 19 -6.283 19.242 0.714 1.00 0.00 N ATOM 293 CA GLN A 19 -6.686 18.419 -0.393 1.00 0.00 C ATOM 294 C GLN A 19 -8.190 18.595 -0.644 1.00 0.00 C ATOM 295 O GLN A 19 -8.672 18.503 -1.777 1.00 0.00 O ATOM 296 CB GLN A 19 -6.415 16.987 0.004 1.00 0.00 C ATOM 297 CG GLN A 19 -6.362 16.020 -1.124 1.00 0.00 C ATOM 298 CD GLN A 19 -5.150 16.238 -2.005 1.00 0.00 C ATOM 299 OE1 GLN A 19 -4.102 16.663 -1.539 1.00 0.00 O ATOM 300 NE2 GLN A 19 -5.282 15.962 -3.268 1.00 0.00 N ATOM 0 H GLN A 19 -5.945 18.703 1.511 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.144 18.691 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.467 16.948 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.189 16.667 0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.345 15.004 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.267 16.114 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.171 15.609 -3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.497 16.098 -3.905 1.00 0.00 H new ATOM 309 N TYR A 20 -8.906 18.847 0.432 1.00 0.00 N ATOM 310 CA TYR A 20 -10.334 19.069 0.411 1.00 0.00 C ATOM 311 C TYR A 20 -10.637 20.321 -0.373 1.00 0.00 C ATOM 312 O TYR A 20 -11.351 20.298 -1.365 1.00 0.00 O ATOM 313 CB TYR A 20 -10.807 19.255 1.839 1.00 0.00 C ATOM 314 CG TYR A 20 -12.294 19.380 2.001 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.138 18.369 1.584 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.851 20.499 2.597 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.495 18.465 1.758 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.207 20.607 2.772 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.026 19.588 2.350 1.00 0.00 C ATOM 320 OH TYR A 20 -16.385 19.677 2.546 1.00 0.00 O ATOM 0 H TYR A 20 -8.500 18.904 1.366 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.838 18.221 -0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.461 18.410 2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.335 20.148 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.723 17.490 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.207 21.300 2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.143 17.664 1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.627 21.486 3.238 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.598 20.531 2.976 1.00 0.00 H new ATOM 330 N ASN A 21 -10.064 21.392 0.096 1.00 0.00 N ATOM 331 CA ASN A 21 -10.192 22.730 -0.492 1.00 0.00 C ATOM 332 C ASN A 21 -9.784 22.699 -1.969 1.00 0.00 C ATOM 333 O ASN A 21 -10.429 23.307 -2.822 1.00 0.00 O ATOM 334 CB ASN A 21 -9.266 23.679 0.262 1.00 0.00 C ATOM 335 CG ASN A 21 -9.616 23.907 1.738 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.314 23.103 2.379 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.073 24.960 2.299 1.00 0.00 N ATOM 0 H ASN A 21 -9.471 21.376 0.926 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.227 23.064 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.249 23.290 0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.269 24.643 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.218 25.140 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.506 25.599 1.742 1.00 0.00 H new ATOM 344 N PHE A 22 -8.705 21.972 -2.233 1.00 0.00 N ATOM 345 CA PHE A 22 -8.154 21.736 -3.577 1.00 0.00 C ATOM 346 C PHE A 22 -9.240 21.220 -4.497 1.00 0.00 C ATOM 347 O PHE A 22 -9.520 21.800 -5.554 1.00 0.00 O ATOM 348 CB PHE A 22 -7.072 20.674 -3.444 1.00 0.00 C ATOM 349 CG PHE A 22 -6.304 20.337 -4.692 1.00 0.00 C ATOM 350 CD1 PHE A 22 -5.413 21.230 -5.243 1.00 0.00 C ATOM 351 CD2 PHE A 22 -6.453 19.100 -5.285 1.00 0.00 C ATOM 352 CE1 PHE A 22 -4.688 20.897 -6.372 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.736 18.764 -6.415 1.00 0.00 C ATOM 354 CZ PHE A 22 -4.850 19.663 -6.956 1.00 0.00 C ATOM 0 H PHE A 22 -8.166 21.512 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.753 22.661 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.362 21.004 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.535 19.760 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.279 22.201 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.141 18.385 -4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.993 21.607 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.871 17.795 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.283 19.402 -7.837 1.00 0.00 H new ATOM 364 N ALA A 23 -9.853 20.140 -4.061 1.00 0.00 N ATOM 365 CA ALA A 23 -10.942 19.494 -4.780 1.00 0.00 C ATOM 366 C ALA A 23 -12.064 20.485 -5.052 1.00 0.00 C ATOM 367 O ALA A 23 -12.538 20.598 -6.173 1.00 0.00 O ATOM 368 CB ALA A 23 -11.479 18.335 -3.961 1.00 0.00 C ATOM 0 H ALA A 23 -9.609 19.676 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.560 19.125 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.294 17.854 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.682 17.612 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.848 18.705 -3.004 1.00 0.00 H new ATOM 374 N ILE A 24 -12.444 21.223 -4.019 1.00 0.00 N ATOM 375 CA ILE A 24 -13.518 22.209 -4.090 1.00 0.00 C ATOM 376 C ILE A 24 -13.255 23.248 -5.162 1.00 0.00 C ATOM 377 O ILE A 24 -14.114 23.527 -6.011 1.00 0.00 O ATOM 378 CB ILE A 24 -13.698 22.915 -2.746 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.996 21.851 -1.719 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.832 23.953 -2.821 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.450 22.374 -0.416 1.00 0.00 C ATOM 0 H ILE A 24 -12.012 21.155 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.429 21.666 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.795 23.460 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.761 21.184 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.099 21.251 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.942 24.443 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.593 24.698 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.765 23.454 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.642 21.543 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.678 23.017 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.366 22.949 -0.554 1.00 0.00 H new ATOM 393 N ALA A 25 -12.061 23.786 -5.136 1.00 0.00 N ATOM 394 CA ALA A 25 -11.629 24.808 -6.088 1.00 0.00 C ATOM 395 C ALA A 25 -11.612 24.270 -7.524 1.00 0.00 C ATOM 396 O ALA A 25 -11.933 24.985 -8.472 1.00 0.00 O ATOM 397 CB ALA A 25 -10.257 25.347 -5.701 1.00 0.00 C ATOM 0 H ALA A 25 -11.348 23.533 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.351 25.624 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.949 26.107 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.307 25.788 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.533 24.532 -5.701 1.00 0.00 H new ATOM 403 N MET A 26 -11.272 23.005 -7.669 1.00 0.00 N ATOM 404 CA MET A 26 -11.216 22.364 -8.980 1.00 0.00 C ATOM 405 C MET A 26 -12.581 21.835 -9.429 1.00 0.00 C ATOM 406 O MET A 26 -12.740 21.383 -10.576 1.00 0.00 O ATOM 407 CB MET A 26 -10.191 21.230 -8.996 1.00 0.00 C ATOM 408 CG MET A 26 -8.745 21.683 -8.906 1.00 0.00 C ATOM 409 SD MET A 26 -7.577 20.327 -9.160 1.00 0.00 S ATOM 410 CE MET A 26 -7.930 19.877 -10.867 1.00 0.00 C ATOM 0 H MET A 26 -11.027 22.391 -6.892 1.00 0.00 H new ATOM 0 HA MET A 26 -10.908 23.135 -9.686 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.400 20.558 -8.164 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.321 20.653 -9.912 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.564 22.458 -9.650 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.569 22.132 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.117 19.264 -11.257 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.862 19.313 -10.909 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.025 20.781 -11.469 1.00 0.00 H new ATOM 420 N GLY A 27 -13.558 21.893 -8.545 1.00 0.00 N ATOM 421 CA GLY A 27 -14.877 21.385 -8.864 1.00 0.00 C ATOM 422 C GLY A 27 -14.908 19.869 -8.811 1.00 0.00 C ATOM 423 O GLY A 27 -15.670 19.212 -9.522 1.00 0.00 O ATOM 0 H GLY A 27 -13.465 22.284 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.606 21.791 -8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.169 21.723 -9.858 1.00 0.00 H new ATOM 427 N LEU A 28 -14.081 19.325 -7.978 1.00 0.00 N ATOM 428 CA LEU A 28 -13.956 17.910 -7.812 1.00 0.00 C ATOM 429 C LEU A 28 -14.500 17.504 -6.483 1.00 0.00 C ATOM 430 O LEU A 28 -14.778 18.341 -5.617 1.00 0.00 O ATOM 431 CB LEU A 28 -12.486 17.496 -7.875 1.00 0.00 C ATOM 432 CG LEU A 28 -11.768 17.686 -9.201 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.323 17.285 -9.051 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.415 16.839 -10.271 1.00 0.00 C ATOM 0 H LEU A 28 -13.457 19.865 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.513 17.423 -8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.944 18.057 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.420 16.443 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.832 18.735 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.807 17.421 -10.002 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.850 17.906 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.265 16.238 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.891 16.984 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.363 15.789 -9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.459 17.132 -10.386 1.00 0.00 H new ATOM 446 N SER A 29 -14.661 16.247 -6.333 1.00 0.00 N ATOM 447 CA SER A 29 -15.034 15.673 -5.104 1.00 0.00 C ATOM 448 C SER A 29 -13.763 15.118 -4.523 1.00 0.00 C ATOM 449 O SER A 29 -12.999 14.466 -5.256 1.00 0.00 O ATOM 450 CB SER A 29 -16.044 14.573 -5.351 1.00 0.00 C ATOM 451 OG SER A 29 -17.131 15.056 -6.150 1.00 0.00 O ATOM 0 H SER A 29 -14.533 15.570 -7.085 1.00 0.00 H new ATOM 0 HA SER A 29 -15.496 16.390 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.561 13.735 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.423 14.199 -4.400 1.00 0.00 H new ATOM 0 HG SER A 29 -17.773 14.331 -6.301 1.00 0.00 H new ATOM 457 N GLU A 30 -13.509 15.401 -3.257 1.00 0.00 N ATOM 458 CA GLU A 30 -12.281 14.998 -2.565 1.00 0.00 C ATOM 459 C GLU A 30 -11.816 13.586 -2.845 1.00 0.00 C ATOM 460 O GLU A 30 -10.638 13.381 -3.138 1.00 0.00 O ATOM 461 CB GLU A 30 -12.351 15.280 -1.069 1.00 0.00 C ATOM 462 CG GLU A 30 -13.719 15.123 -0.407 1.00 0.00 C ATOM 463 CD GLU A 30 -14.398 13.778 -0.557 1.00 0.00 C ATOM 464 OE1 GLU A 30 -14.955 13.498 -1.632 1.00 0.00 O ATOM 465 OE2 GLU A 30 -14.419 13.001 0.411 1.00 0.00 O ATOM 0 H GLU A 30 -14.155 15.924 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.509 15.633 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.650 14.616 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.004 16.299 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.608 15.331 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.383 15.886 -0.813 1.00 0.00 H new ATOM 472 N ARG A 31 -12.722 12.635 -2.809 1.00 0.00 N ATOM 473 CA ARG A 31 -12.386 11.264 -3.032 1.00 0.00 C ATOM 474 C ARG A 31 -11.804 11.030 -4.416 1.00 0.00 C ATOM 475 O ARG A 31 -10.841 10.318 -4.552 1.00 0.00 O ATOM 476 CB ARG A 31 -13.565 10.343 -2.785 1.00 0.00 C ATOM 477 CG ARG A 31 -13.352 9.425 -1.597 1.00 0.00 C ATOM 478 CD ARG A 31 -14.537 8.522 -1.381 1.00 0.00 C ATOM 479 NE ARG A 31 -14.392 7.699 -0.167 1.00 0.00 N ATOM 480 CZ ARG A 31 -15.319 6.864 0.322 1.00 0.00 C ATOM 481 NH1 ARG A 31 -16.429 6.628 -0.353 1.00 0.00 N ATOM 482 NH2 ARG A 31 -15.108 6.257 1.481 1.00 0.00 N ATOM 0 H ARG A 31 -13.711 12.800 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.612 11.021 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.460 10.942 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.744 9.741 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.458 8.822 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.179 10.021 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.442 9.124 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.659 7.872 -2.247 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.512 7.771 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.585 7.082 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.130 5.991 0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.244 6.427 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.810 5.620 1.858 1.00 0.00 H new ATOM 496 N THR A 32 -12.322 11.736 -5.413 1.00 0.00 N ATOM 497 CA THR A 32 -11.921 11.538 -6.797 1.00 0.00 C ATOM 498 C THR A 32 -10.467 11.966 -6.974 1.00 0.00 C ATOM 499 O THR A 32 -9.657 11.260 -7.582 1.00 0.00 O ATOM 500 CB THR A 32 -12.846 12.358 -7.742 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.218 12.056 -7.429 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.584 12.015 -9.202 1.00 0.00 C ATOM 0 H THR A 32 -13.030 12.459 -5.284 1.00 0.00 H new ATOM 0 HA THR A 32 -12.013 10.482 -7.052 1.00 0.00 H new ATOM 0 HB THR A 32 -12.640 13.418 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.809 12.570 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.245 12.603 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.547 12.242 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.772 10.954 -9.366 1.00 0.00 H new ATOM 510 N VAL A 33 -10.144 13.090 -6.379 1.00 0.00 N ATOM 511 CA VAL A 33 -8.819 13.646 -6.424 1.00 0.00 C ATOM 512 C VAL A 33 -7.899 12.749 -5.661 1.00 0.00 C ATOM 513 O VAL A 33 -6.783 12.445 -6.102 1.00 0.00 O ATOM 514 CB VAL A 33 -8.770 15.010 -5.735 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.824 15.911 -6.418 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.105 15.624 -5.647 1.00 0.00 C ATOM 0 H VAL A 33 -10.807 13.650 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.530 13.746 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.416 14.848 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.807 16.875 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.826 15.473 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.138 16.052 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.028 16.592 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.509 15.761 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.767 14.975 -5.074 1.00 0.00 H new ATOM 526 N SER A 34 -8.391 12.305 -4.524 1.00 0.00 N ATOM 527 CA SER A 34 -7.636 11.491 -3.653 1.00 0.00 C ATOM 528 C SER A 34 -7.305 10.139 -4.297 1.00 0.00 C ATOM 529 O SER A 34 -6.210 9.667 -4.167 1.00 0.00 O ATOM 530 CB SER A 34 -8.334 11.317 -2.298 1.00 0.00 C ATOM 531 OG SER A 34 -8.563 12.586 -1.683 1.00 0.00 O ATOM 0 H SER A 34 -9.334 12.511 -4.194 1.00 0.00 H new ATOM 0 HA SER A 34 -6.691 12.001 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.282 10.797 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.722 10.696 -1.645 1.00 0.00 H new ATOM 0 HG SER A 34 -9.174 13.113 -2.239 1.00 0.00 H new ATOM 537 N LEU A 35 -8.252 9.561 -5.045 1.00 0.00 N ATOM 538 CA LEU A 35 -8.044 8.260 -5.692 1.00 0.00 C ATOM 539 C LEU A 35 -6.946 8.331 -6.753 1.00 0.00 C ATOM 540 O LEU A 35 -6.179 7.354 -6.949 1.00 0.00 O ATOM 541 CB LEU A 35 -9.342 7.740 -6.320 1.00 0.00 C ATOM 542 CG LEU A 35 -10.534 7.562 -5.383 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.741 7.057 -6.142 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.199 6.648 -4.213 1.00 0.00 C ATOM 0 H LEU A 35 -9.169 9.973 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.727 7.564 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.634 8.426 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.132 6.779 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.777 8.540 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.579 6.937 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.008 7.773 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.507 6.096 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.073 6.546 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.909 5.667 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.375 7.075 -3.642 1.00 0.00 H new ATOM 556 N LYS A 36 -6.876 9.474 -7.436 1.00 0.00 N ATOM 557 CA LYS A 36 -5.876 9.731 -8.437 1.00 0.00 C ATOM 558 C LYS A 36 -4.504 9.829 -7.819 1.00 0.00 C ATOM 559 O LYS A 36 -3.536 9.236 -8.293 1.00 0.00 O ATOM 560 CB LYS A 36 -6.198 11.012 -9.118 1.00 0.00 C ATOM 561 CG LYS A 36 -7.375 10.913 -10.038 1.00 0.00 C ATOM 562 CD LYS A 36 -7.905 12.262 -10.263 1.00 0.00 C ATOM 563 CE LYS A 36 -9.168 12.258 -11.097 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.929 11.881 -12.507 1.00 0.00 N ATOM 0 H LYS A 36 -7.526 10.248 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.874 8.907 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.397 11.776 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.328 11.342 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.079 10.460 -10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.142 10.272 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.110 12.733 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.147 12.868 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.885 11.564 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.622 13.248 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.836 11.846 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.308 12.585 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.475 10.946 -12.544 1.00 0.00 H new ATOM 578 N LEU A 37 -4.445 10.565 -6.735 1.00 0.00 N ATOM 579 CA LEU A 37 -3.218 10.794 -6.008 1.00 0.00 C ATOM 580 C LEU A 37 -2.804 9.524 -5.283 1.00 0.00 C ATOM 581 O LEU A 37 -1.620 9.260 -5.096 1.00 0.00 O ATOM 582 CB LEU A 37 -3.447 11.959 -5.018 1.00 0.00 C ATOM 583 CG LEU A 37 -2.251 12.526 -4.305 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.455 14.002 -4.034 1.00 0.00 C ATOM 585 CD2 LEU A 37 -1.972 11.797 -2.994 1.00 0.00 C ATOM 0 H LEU A 37 -5.258 11.028 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.412 11.061 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.926 12.772 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.156 11.621 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.388 12.388 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.582 14.401 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.591 14.530 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.339 14.139 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.100 12.238 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.836 11.888 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.780 10.743 -3.197 1.00 0.00 H new ATOM 597 N ASN A 38 -3.790 8.732 -4.923 1.00 0.00 N ATOM 598 CA ASN A 38 -3.580 7.542 -4.142 1.00 0.00 C ATOM 599 C ASN A 38 -2.848 6.472 -4.924 1.00 0.00 C ATOM 600 O ASN A 38 -1.699 6.165 -4.608 1.00 0.00 O ATOM 601 CB ASN A 38 -4.905 6.977 -3.601 1.00 0.00 C ATOM 602 CG ASN A 38 -4.728 5.837 -2.598 1.00 0.00 C ATOM 603 OD1 ASN A 38 -4.599 6.077 -1.404 1.00 0.00 O ATOM 604 ND2 ASN A 38 -4.770 4.604 -3.046 1.00 0.00 N ATOM 0 H ASN A 38 -4.766 8.901 -5.168 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.956 7.836 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.465 7.782 -3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.506 6.622 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.695 3.822 -2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.878 4.428 -4.045 1.00 0.00 H new ATOM 611 N ASP A 39 -3.504 5.925 -5.969 1.00 0.00 N ATOM 612 CA ASP A 39 -2.927 4.780 -6.723 1.00 0.00 C ATOM 613 C ASP A 39 -3.839 4.279 -7.849 1.00 0.00 C ATOM 614 O ASP A 39 -3.359 3.718 -8.815 1.00 0.00 O ATOM 615 CB ASP A 39 -2.617 3.593 -5.758 1.00 0.00 C ATOM 616 CG ASP A 39 -2.069 2.331 -6.429 1.00 0.00 C ATOM 617 OD1 ASP A 39 -0.896 2.319 -6.868 1.00 0.00 O ATOM 618 OD2 ASP A 39 -2.787 1.298 -6.442 1.00 0.00 O ATOM 0 H ASP A 39 -4.412 6.244 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.010 5.151 -7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.897 3.931 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.530 3.333 -5.223 1.00 0.00 H new ATOM 623 N LYS A 40 -5.147 4.537 -7.774 1.00 0.00 N ATOM 624 CA LYS A 40 -6.052 3.907 -8.681 1.00 0.00 C ATOM 625 C LYS A 40 -6.087 4.617 -9.975 1.00 0.00 C ATOM 626 O LYS A 40 -5.997 4.005 -11.047 1.00 0.00 O ATOM 627 CB LYS A 40 -7.464 3.934 -8.129 1.00 0.00 C ATOM 628 CG LYS A 40 -7.628 3.403 -6.716 1.00 0.00 C ATOM 629 CD LYS A 40 -9.089 3.426 -6.296 1.00 0.00 C ATOM 630 CE LYS A 40 -9.277 2.845 -4.906 1.00 0.00 C ATOM 631 NZ LYS A 40 -10.699 2.827 -4.487 1.00 0.00 N ATOM 0 H LYS A 40 -5.578 5.170 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.702 2.883 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.825 4.962 -8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.105 3.354 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.245 2.384 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.037 4.005 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.458 4.451 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.684 2.859 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.882 1.829 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.698 3.428 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.774 2.422 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.072 3.798 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.250 2.249 -5.153 1.00 0.00 H new ATOM 645 N VAL A 41 -6.187 5.908 -9.903 1.00 0.00 N ATOM 646 CA VAL A 41 -6.512 6.596 -11.072 1.00 0.00 C ATOM 647 C VAL A 41 -5.428 7.579 -11.407 1.00 0.00 C ATOM 648 O VAL A 41 -4.446 7.712 -10.673 1.00 0.00 O ATOM 649 CB VAL A 41 -7.859 7.335 -10.938 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.670 6.992 -12.110 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.615 6.996 -9.674 1.00 0.00 C ATOM 0 H VAL A 41 -6.050 6.475 -9.067 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.605 5.864 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.654 8.404 -10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.633 7.499 -12.047 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.152 7.307 -13.016 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.829 5.914 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.551 7.553 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.828 5.927 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.011 7.263 -8.806 1.00 0.00 H new ATOM 661 N THR A 42 -5.608 8.259 -12.483 1.00 0.00 N ATOM 662 CA THR A 42 -4.656 9.192 -12.971 1.00 0.00 C ATOM 663 C THR A 42 -5.323 10.540 -13.208 1.00 0.00 C ATOM 664 O THR A 42 -6.571 10.626 -13.290 1.00 0.00 O ATOM 665 CB THR A 42 -4.079 8.671 -14.303 1.00 0.00 C ATOM 666 OG1 THR A 42 -5.164 8.328 -15.185 1.00 0.00 O ATOM 667 CG2 THR A 42 -3.209 7.441 -14.090 1.00 0.00 C ATOM 0 H THR A 42 -6.443 8.180 -13.063 1.00 0.00 H new ATOM 0 HA THR A 42 -3.858 9.311 -12.238 1.00 0.00 H new ATOM 0 HB THR A 42 -3.462 9.458 -14.737 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.803 7.998 -16.034 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.819 7.101 -15.049 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.379 7.692 -13.429 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.805 6.648 -13.638 1.00 0.00 H new ATOM 675 N TRP A 43 -4.529 11.580 -13.260 1.00 0.00 N ATOM 676 CA TRP A 43 -5.014 12.879 -13.649 1.00 0.00 C ATOM 677 C TRP A 43 -4.820 12.994 -15.132 1.00 0.00 C ATOM 678 O TRP A 43 -3.728 12.727 -15.630 1.00 0.00 O ATOM 679 CB TRP A 43 -4.234 14.026 -12.978 1.00 0.00 C ATOM 680 CG TRP A 43 -4.382 14.136 -11.494 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.454 14.628 -10.816 1.00 0.00 C ATOM 682 CD2 TRP A 43 -3.400 13.804 -10.508 1.00 0.00 C ATOM 683 NE1 TRP A 43 -5.215 14.588 -9.465 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.958 14.091 -9.250 1.00 0.00 C ATOM 685 CE3 TRP A 43 -2.109 13.280 -10.568 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -3.270 13.875 -8.065 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.425 13.068 -9.391 1.00 0.00 C ATOM 688 CH2 TRP A 43 -2.007 13.363 -8.156 1.00 0.00 C ATOM 0 H TRP A 43 -3.535 11.550 -13.035 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.057 12.966 -13.345 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.176 13.904 -13.210 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.553 14.967 -13.426 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.360 14.996 -11.274 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.868 14.881 -8.739 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.654 13.045 -11.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.716 14.103 -7.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.423 12.667 -9.424 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.445 13.182 -7.252 1.00 0.00 H new ATOM 699 N LYS A 44 -5.848 13.329 -15.842 1.00 0.00 N ATOM 700 CA LYS A 44 -5.716 13.545 -17.249 1.00 0.00 C ATOM 701 C LYS A 44 -5.086 14.909 -17.492 1.00 0.00 C ATOM 702 O LYS A 44 -5.073 15.752 -16.591 1.00 0.00 O ATOM 703 CB LYS A 44 -7.052 13.372 -17.992 1.00 0.00 C ATOM 704 CG LYS A 44 -7.426 11.909 -18.310 1.00 0.00 C ATOM 705 CD LYS A 44 -7.768 11.070 -17.075 1.00 0.00 C ATOM 706 CE LYS A 44 -9.121 11.449 -16.485 1.00 0.00 C ATOM 707 NZ LYS A 44 -10.223 11.222 -17.444 1.00 0.00 N ATOM 0 H LYS A 44 -6.790 13.459 -15.472 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.056 12.782 -17.661 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.847 13.814 -17.391 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.009 13.933 -18.925 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.279 11.902 -18.989 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.596 11.439 -18.837 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.773 10.014 -17.344 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.993 11.203 -16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.300 10.866 -15.582 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.107 12.498 -16.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.126 11.177 -16.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.253 12.003 -18.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.066 10.326 -17.947 1.00 0.00 H new ATOM 721 N ASP A 45 -4.584 15.129 -18.689 1.00 0.00 N ATOM 722 CA ASP A 45 -3.849 16.362 -19.030 1.00 0.00 C ATOM 723 C ASP A 45 -4.693 17.601 -18.799 1.00 0.00 C ATOM 724 O ASP A 45 -4.199 18.621 -18.317 1.00 0.00 O ATOM 725 CB ASP A 45 -3.330 16.305 -20.475 1.00 0.00 C ATOM 726 CG ASP A 45 -2.549 17.534 -20.907 1.00 0.00 C ATOM 727 OD1 ASP A 45 -3.155 18.491 -21.424 1.00 0.00 O ATOM 728 OD2 ASP A 45 -1.287 17.537 -20.804 1.00 0.00 O ATOM 0 H ASP A 45 -4.665 14.469 -19.462 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.990 16.429 -18.362 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.694 15.427 -20.586 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.177 16.172 -21.148 1.00 0.00 H new ATOM 733 N ASP A 46 -5.969 17.490 -19.091 1.00 0.00 N ATOM 734 CA ASP A 46 -6.912 18.581 -18.881 1.00 0.00 C ATOM 735 C ASP A 46 -7.023 18.903 -17.403 1.00 0.00 C ATOM 736 O ASP A 46 -7.065 20.068 -17.013 1.00 0.00 O ATOM 737 CB ASP A 46 -8.297 18.230 -19.436 1.00 0.00 C ATOM 738 CG ASP A 46 -9.289 19.361 -19.272 1.00 0.00 C ATOM 739 OD1 ASP A 46 -9.985 19.426 -18.256 1.00 0.00 O ATOM 740 OD2 ASP A 46 -9.383 20.215 -20.176 1.00 0.00 O ATOM 0 H ASP A 46 -6.388 16.646 -19.480 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.536 19.454 -19.415 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.209 17.979 -20.493 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.675 17.343 -18.928 1.00 0.00 H new ATOM 745 N GLU A 47 -6.969 17.872 -16.580 1.00 0.00 N ATOM 746 CA GLU A 47 -7.122 18.041 -15.142 1.00 0.00 C ATOM 747 C GLU A 47 -5.890 18.730 -14.600 1.00 0.00 C ATOM 748 O GLU A 47 -5.976 19.624 -13.747 1.00 0.00 O ATOM 749 CB GLU A 47 -7.336 16.696 -14.439 1.00 0.00 C ATOM 750 CG GLU A 47 -8.518 15.908 -14.974 1.00 0.00 C ATOM 751 CD GLU A 47 -8.795 14.659 -14.182 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.089 13.647 -14.363 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.740 14.655 -13.370 1.00 0.00 O ATOM 0 H GLU A 47 -6.821 16.908 -16.880 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.005 18.650 -14.949 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.433 16.094 -14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.481 16.872 -13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.405 16.542 -14.965 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.329 15.639 -16.013 1.00 0.00 H new ATOM 760 N ILE A 48 -4.751 18.338 -15.146 1.00 0.00 N ATOM 761 CA ILE A 48 -3.479 18.928 -14.806 1.00 0.00 C ATOM 762 C ILE A 48 -3.501 20.418 -15.151 1.00 0.00 C ATOM 763 O ILE A 48 -3.176 21.248 -14.311 1.00 0.00 O ATOM 764 CB ILE A 48 -2.302 18.217 -15.542 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.278 16.722 -15.168 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.963 18.882 -15.204 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.200 15.914 -15.863 1.00 0.00 C ATOM 0 H ILE A 48 -4.689 17.595 -15.842 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.317 18.803 -13.735 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.457 18.309 -16.617 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.142 16.633 -14.090 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.249 16.286 -15.404 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.158 18.368 -15.730 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.988 19.927 -15.512 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.789 18.825 -14.129 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.259 14.875 -15.539 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.344 15.967 -16.942 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.221 16.319 -15.608 1.00 0.00 H new ATOM 779 N LEU A 49 -3.958 20.747 -16.369 1.00 0.00 N ATOM 780 CA LEU A 49 -4.066 22.096 -16.832 1.00 0.00 C ATOM 781 C LEU A 49 -4.909 22.945 -15.903 1.00 0.00 C ATOM 782 O LEU A 49 -4.552 24.086 -15.587 1.00 0.00 O ATOM 783 CB LEU A 49 -4.706 22.106 -18.191 1.00 0.00 C ATOM 784 CG LEU A 49 -3.909 21.587 -19.370 1.00 0.00 C ATOM 785 CD1 LEU A 49 -4.743 21.741 -20.621 1.00 0.00 C ATOM 786 CD2 LEU A 49 -2.591 22.339 -19.517 1.00 0.00 C ATOM 0 H LEU A 49 -4.262 20.055 -17.054 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.060 22.513 -16.868 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.624 21.522 -18.129 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.996 23.133 -18.413 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.670 20.536 -19.207 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.183 21.371 -21.480 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.665 21.169 -20.516 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.984 22.794 -20.771 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.041 21.945 -20.371 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.792 23.399 -19.673 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.997 22.212 -18.612 1.00 0.00 H new ATOM 798 N LYS A 50 -6.034 22.412 -15.483 1.00 0.00 N ATOM 799 CA LYS A 50 -6.899 23.125 -14.606 1.00 0.00 C ATOM 800 C LYS A 50 -6.296 23.370 -13.248 1.00 0.00 C ATOM 801 O LYS A 50 -6.425 24.460 -12.699 1.00 0.00 O ATOM 802 CB LYS A 50 -8.247 22.509 -14.539 1.00 0.00 C ATOM 803 CG LYS A 50 -9.128 23.067 -15.640 1.00 0.00 C ATOM 804 CD LYS A 50 -8.740 22.566 -17.033 1.00 0.00 C ATOM 805 CE LYS A 50 -9.495 23.287 -18.128 1.00 0.00 C ATOM 806 NZ LYS A 50 -9.177 22.755 -19.470 1.00 0.00 N ATOM 0 H LYS A 50 -6.362 21.482 -15.743 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.030 24.116 -15.041 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.167 21.427 -14.640 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.698 22.706 -13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.165 22.797 -15.439 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.073 24.156 -15.624 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.669 22.703 -17.181 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.937 21.496 -17.101 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.566 23.197 -17.948 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.254 24.350 -18.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.566 23.390 -20.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.145 22.691 -19.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.596 21.809 -19.577 1.00 0.00 H new ATOM 820 N ALA A 51 -5.574 22.382 -12.735 1.00 0.00 N ATOM 821 CA ALA A 51 -4.869 22.532 -11.469 1.00 0.00 C ATOM 822 C ALA A 51 -3.810 23.629 -11.597 1.00 0.00 C ATOM 823 O ALA A 51 -3.723 24.516 -10.755 1.00 0.00 O ATOM 824 CB ALA A 51 -4.233 21.215 -11.043 1.00 0.00 C ATOM 0 H ALA A 51 -5.461 21.469 -13.176 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.585 22.819 -10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.712 21.352 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.008 20.458 -10.925 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.523 20.891 -11.804 1.00 0.00 H new ATOM 830 N VAL A 52 -3.063 23.594 -12.701 1.00 0.00 N ATOM 831 CA VAL A 52 -2.018 24.588 -13.018 1.00 0.00 C ATOM 832 C VAL A 52 -2.576 26.022 -13.000 1.00 0.00 C ATOM 833 O VAL A 52 -1.907 26.957 -12.559 1.00 0.00 O ATOM 834 CB VAL A 52 -1.380 24.295 -14.423 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.392 25.369 -14.842 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.682 22.959 -14.416 1.00 0.00 C ATOM 0 H VAL A 52 -3.162 22.870 -13.413 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.252 24.505 -12.247 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.198 24.286 -15.143 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.022 25.121 -15.820 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.902 26.331 -14.897 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.414 25.427 -14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.245 22.771 -15.397 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.106 22.964 -13.663 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.401 22.174 -14.183 1.00 0.00 H new ATOM 846 N HIS A 53 -3.806 26.167 -13.420 1.00 0.00 N ATOM 847 CA HIS A 53 -4.437 27.473 -13.534 1.00 0.00 C ATOM 848 C HIS A 53 -4.919 27.985 -12.185 1.00 0.00 C ATOM 849 O HIS A 53 -4.938 29.187 -11.938 1.00 0.00 O ATOM 850 CB HIS A 53 -5.620 27.383 -14.480 1.00 0.00 C ATOM 851 CG HIS A 53 -6.165 28.723 -14.889 1.00 0.00 C ATOM 852 ND1 HIS A 53 -7.459 29.115 -14.666 1.00 0.00 N ATOM 853 CD2 HIS A 53 -5.565 29.762 -15.511 1.00 0.00 C ATOM 854 CE1 HIS A 53 -7.630 30.336 -15.131 1.00 0.00 C ATOM 855 NE2 HIS A 53 -6.493 30.749 -15.649 1.00 0.00 N ATOM 0 H HIS A 53 -4.405 25.389 -13.695 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.692 28.170 -13.918 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.320 26.834 -15.373 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.413 26.807 -14.003 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.537 29.802 -15.839 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.549 30.902 -15.093 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.333 31.658 -16.082 1.00 0.00 H new ATOM 863 N VAL A 54 -5.276 27.075 -11.331 1.00 0.00 N ATOM 864 CA VAL A 54 -5.848 27.423 -10.041 1.00 0.00 C ATOM 865 C VAL A 54 -4.747 27.638 -9.033 1.00 0.00 C ATOM 866 O VAL A 54 -4.649 28.690 -8.393 1.00 0.00 O ATOM 867 CB VAL A 54 -6.827 26.312 -9.535 1.00 0.00 C ATOM 868 CG1 VAL A 54 -7.322 26.604 -8.124 1.00 0.00 C ATOM 869 CG2 VAL A 54 -8.014 26.176 -10.475 1.00 0.00 C ATOM 0 H VAL A 54 -5.185 26.072 -11.495 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.417 28.345 -10.160 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.272 25.374 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.000 25.812 -7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.472 26.651 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.849 27.558 -8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.683 25.399 -10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.550 27.124 -10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.661 25.908 -11.471 1.00 0.00 H new ATOM 879 N LEU A 55 -3.927 26.646 -8.927 1.00 0.00 N ATOM 880 CA LEU A 55 -2.837 26.583 -8.034 1.00 0.00 C ATOM 881 C LEU A 55 -1.699 27.507 -8.449 1.00 0.00 C ATOM 882 O LEU A 55 -0.881 27.904 -7.616 1.00 0.00 O ATOM 883 CB LEU A 55 -2.382 25.155 -8.070 1.00 0.00 C ATOM 884 CG LEU A 55 -3.170 24.110 -7.268 1.00 0.00 C ATOM 885 CD1 LEU A 55 -2.897 24.230 -5.792 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.678 24.157 -7.510 1.00 0.00 C ATOM 0 H LEU A 55 -4.013 25.808 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.135 26.906 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.376 24.836 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.349 25.128 -7.723 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.814 23.146 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.471 23.476 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.834 24.079 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.189 25.222 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.167 23.390 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.061 25.138 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.883 23.977 -8.565 1.00 0.00 H new ATOM 898 N GLU A 56 -1.691 27.862 -9.725 1.00 0.00 N ATOM 899 CA GLU A 56 -0.664 28.689 -10.346 1.00 0.00 C ATOM 900 C GLU A 56 0.664 27.963 -10.399 1.00 0.00 C ATOM 901 O GLU A 56 1.597 28.229 -9.629 1.00 0.00 O ATOM 902 CB GLU A 56 -0.536 30.077 -9.720 1.00 0.00 C ATOM 903 CG GLU A 56 -1.811 30.889 -9.781 1.00 0.00 C ATOM 904 CD GLU A 56 -1.646 32.222 -9.135 1.00 0.00 C ATOM 905 OE1 GLU A 56 -1.300 33.193 -9.837 1.00 0.00 O ATOM 906 OE2 GLU A 56 -1.840 32.320 -7.903 1.00 0.00 O ATOM 0 H GLU A 56 -2.420 27.575 -10.378 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.992 28.866 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.233 29.970 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.258 30.624 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.108 31.023 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.615 30.342 -9.288 1.00 0.00 H new ATOM 913 N LEU A 57 0.716 27.007 -11.269 1.00 0.00 N ATOM 914 CA LEU A 57 1.888 26.215 -11.470 1.00 0.00 C ATOM 915 C LEU A 57 2.451 26.552 -12.813 1.00 0.00 C ATOM 916 O LEU A 57 1.822 27.291 -13.583 1.00 0.00 O ATOM 917 CB LEU A 57 1.555 24.743 -11.420 1.00 0.00 C ATOM 918 CG LEU A 57 0.817 24.234 -10.173 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.520 22.750 -10.302 1.00 0.00 C ATOM 920 CD2 LEU A 57 1.626 24.504 -8.915 1.00 0.00 C ATOM 0 H LEU A 57 -0.067 26.750 -11.870 1.00 0.00 H new ATOM 0 HA LEU A 57 2.610 26.427 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.948 24.504 -12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.485 24.182 -11.515 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.126 24.774 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.003 22.405 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.105 22.579 -11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.455 22.200 -10.410 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.082 24.134 -8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.587 23.995 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.790 25.577 -8.811 1.00 0.00 H new ATOM 932 N ASN A 58 3.596 26.054 -13.108 1.00 0.00 N ATOM 933 CA ASN A 58 4.188 26.307 -14.383 1.00 0.00 C ATOM 934 C ASN A 58 4.208 24.999 -15.173 1.00 0.00 C ATOM 935 O ASN A 58 4.476 23.942 -14.600 1.00 0.00 O ATOM 936 CB ASN A 58 5.615 26.827 -14.170 1.00 0.00 C ATOM 937 CG ASN A 58 6.264 27.308 -15.444 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.877 26.538 -16.164 1.00 0.00 O ATOM 939 ND2 ASN A 58 6.130 28.573 -15.729 1.00 0.00 N ATOM 0 H ASN A 58 4.149 25.465 -12.485 1.00 0.00 H new ATOM 0 HA ASN A 58 3.619 27.054 -14.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.594 27.644 -13.449 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.224 26.034 -13.736 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.546 28.951 -16.580 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.609 29.185 -15.101 1.00 0.00 H new ATOM 946 N PRO A 59 3.966 25.042 -16.499 1.00 0.00 N ATOM 947 CA PRO A 59 3.950 23.842 -17.347 1.00 0.00 C ATOM 948 C PRO A 59 5.323 23.158 -17.472 1.00 0.00 C ATOM 949 O PRO A 59 5.409 21.986 -17.858 1.00 0.00 O ATOM 950 CB PRO A 59 3.478 24.358 -18.711 1.00 0.00 C ATOM 951 CG PRO A 59 3.776 25.810 -18.688 1.00 0.00 C ATOM 952 CD PRO A 59 3.612 26.249 -17.268 1.00 0.00 C ATOM 0 HA PRO A 59 3.305 23.074 -16.920 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.002 23.859 -19.526 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.414 24.175 -18.857 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.789 26.005 -19.041 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.099 26.356 -19.345 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.267 27.086 -17.027 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.592 26.573 -17.062 1.00 0.00 H new ATOM 960 N GLN A 60 6.380 23.868 -17.133 1.00 0.00 N ATOM 961 CA GLN A 60 7.728 23.321 -17.215 1.00 0.00 C ATOM 962 C GLN A 60 8.098 22.612 -15.926 1.00 0.00 C ATOM 963 O GLN A 60 8.950 21.743 -15.913 1.00 0.00 O ATOM 964 CB GLN A 60 8.731 24.434 -17.486 1.00 0.00 C ATOM 965 CG GLN A 60 8.442 25.216 -18.744 1.00 0.00 C ATOM 966 CD GLN A 60 9.377 26.388 -18.923 1.00 0.00 C ATOM 967 OE1 GLN A 60 10.438 26.269 -19.531 1.00 0.00 O ATOM 968 NE2 GLN A 60 8.989 27.524 -18.416 1.00 0.00 N ATOM 0 H GLN A 60 6.336 24.830 -16.796 1.00 0.00 H new ATOM 0 HA GLN A 60 7.753 22.602 -18.034 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.740 25.118 -16.637 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.729 24.002 -17.558 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.524 24.554 -19.606 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.414 25.576 -18.716 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.101 27.583 -17.918 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.573 28.354 -18.518 1.00 0.00 H new ATOM 977 N ASP A 61 7.420 22.957 -14.853 1.00 0.00 N ATOM 978 CA ASP A 61 7.759 22.400 -13.534 1.00 0.00 C ATOM 979 C ASP A 61 6.798 21.244 -13.190 1.00 0.00 C ATOM 980 O ASP A 61 6.833 20.671 -12.117 1.00 0.00 O ATOM 981 CB ASP A 61 7.713 23.515 -12.469 1.00 0.00 C ATOM 982 CG ASP A 61 8.499 23.197 -11.194 1.00 0.00 C ATOM 983 OD1 ASP A 61 9.739 23.405 -11.169 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.904 22.826 -10.176 1.00 0.00 O ATOM 0 H ASP A 61 6.638 23.612 -14.852 1.00 0.00 H new ATOM 0 HA ASP A 61 8.772 21.997 -13.554 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.105 24.434 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.673 23.706 -12.203 1.00 0.00 H new ATOM 989 N ILE A 62 5.979 20.882 -14.171 1.00 0.00 N ATOM 990 CA ILE A 62 4.992 19.784 -14.063 1.00 0.00 C ATOM 991 C ILE A 62 5.576 18.408 -13.616 1.00 0.00 C ATOM 992 O ILE A 62 4.994 17.759 -12.716 1.00 0.00 O ATOM 993 CB ILE A 62 4.159 19.628 -15.367 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.301 20.868 -15.576 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.289 18.361 -15.370 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.339 21.171 -14.444 1.00 0.00 C ATOM 0 H ILE A 62 5.972 21.342 -15.081 1.00 0.00 H new ATOM 0 HA ILE A 62 4.335 20.097 -13.251 1.00 0.00 H new ATOM 0 HB ILE A 62 4.861 19.521 -16.194 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.957 21.727 -15.717 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.731 20.747 -16.497 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.731 18.305 -16.304 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.926 17.482 -15.275 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.592 18.396 -14.532 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.771 22.071 -14.680 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.654 20.333 -14.314 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.899 21.328 -13.522 1.00 0.00 H new ATOM 1008 N PRO A 63 6.751 17.933 -14.162 1.00 0.00 N ATOM 1009 CA PRO A 63 7.290 16.630 -13.785 1.00 0.00 C ATOM 1010 C PRO A 63 7.939 16.689 -12.429 1.00 0.00 C ATOM 1011 O PRO A 63 8.407 15.707 -11.904 1.00 0.00 O ATOM 1012 CB PRO A 63 8.304 16.327 -14.863 1.00 0.00 C ATOM 1013 CG PRO A 63 8.784 17.645 -15.341 1.00 0.00 C ATOM 1014 CD PRO A 63 7.659 18.617 -15.134 1.00 0.00 C ATOM 0 HA PRO A 63 6.520 15.862 -13.711 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.127 15.729 -14.470 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.854 15.756 -15.675 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.671 17.957 -14.789 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.064 17.596 -16.393 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.021 19.566 -14.739 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.146 18.836 -16.070 1.00 0.00 H new ATOM 1022 N LYS A 64 7.973 17.869 -11.900 1.00 0.00 N ATOM 1023 CA LYS A 64 8.502 18.124 -10.599 1.00 0.00 C ATOM 1024 C LYS A 64 7.349 18.233 -9.584 1.00 0.00 C ATOM 1025 O LYS A 64 7.566 18.560 -8.406 1.00 0.00 O ATOM 1026 CB LYS A 64 9.325 19.401 -10.620 1.00 0.00 C ATOM 1027 CG LYS A 64 10.317 19.471 -11.784 1.00 0.00 C ATOM 1028 CD LYS A 64 11.238 20.679 -11.679 1.00 0.00 C ATOM 1029 CE LYS A 64 12.137 20.628 -10.444 1.00 0.00 C ATOM 1030 NZ LYS A 64 12.915 21.875 -10.288 1.00 0.00 N ATOM 0 H LYS A 64 7.625 18.703 -12.372 1.00 0.00 H new ATOM 0 HA LYS A 64 9.151 17.301 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.652 20.256 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.872 19.486 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.915 18.560 -11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.769 19.514 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.859 20.737 -12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.637 21.588 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.527 20.465 -9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.818 19.781 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.514 21.807 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.515 22.017 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.264 22.680 -10.188 1.00 0.00 H new ATOM 1044 N TYR A 65 6.122 17.977 -10.059 1.00 0.00 N ATOM 1045 CA TYR A 65 4.947 17.917 -9.217 1.00 0.00 C ATOM 1046 C TYR A 65 4.235 16.579 -9.339 1.00 0.00 C ATOM 1047 O TYR A 65 4.353 15.727 -8.479 1.00 0.00 O ATOM 1048 CB TYR A 65 3.934 19.013 -9.542 1.00 0.00 C ATOM 1049 CG TYR A 65 4.265 20.376 -9.024 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.746 21.374 -9.845 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.082 20.656 -7.698 1.00 0.00 C ATOM 1052 CE1 TYR A 65 5.038 22.623 -9.338 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.368 21.893 -7.177 1.00 0.00 C ATOM 1054 CZ TYR A 65 4.849 22.874 -7.996 1.00 0.00 C ATOM 1055 OH TYR A 65 5.146 24.117 -7.470 1.00 0.00 O ATOM 0 H TYR A 65 5.929 17.807 -11.046 1.00 0.00 H new ATOM 0 HA TYR A 65 5.318 18.057 -8.202 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.826 19.072 -10.625 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.965 18.717 -9.140 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.896 21.176 -10.896 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.703 19.884 -7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.412 23.400 -9.989 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.214 22.089 -6.126 1.00 0.00 H new ATOM 0 HH TYR A 65 5.013 24.803 -8.157 1.00 0.00 H new ATOM 1065 N PHE A 66 3.536 16.397 -10.450 1.00 0.00 N ATOM 1066 CA PHE A 66 2.651 15.241 -10.647 1.00 0.00 C ATOM 1067 C PHE A 66 3.425 13.973 -10.933 1.00 0.00 C ATOM 1068 O PHE A 66 2.978 12.881 -10.623 1.00 0.00 O ATOM 1069 CB PHE A 66 1.654 15.516 -11.788 1.00 0.00 C ATOM 1070 CG PHE A 66 0.737 16.695 -11.552 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.117 17.978 -11.923 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.504 16.516 -10.964 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.277 19.053 -11.708 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -1.349 17.588 -10.747 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.957 18.859 -11.119 1.00 0.00 C ATOM 0 H PHE A 66 3.561 17.040 -11.242 1.00 0.00 H new ATOM 0 HA PHE A 66 2.105 15.092 -9.716 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.213 15.686 -12.708 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.046 14.625 -11.944 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.080 18.137 -12.385 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.816 15.524 -10.671 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.585 20.046 -12.001 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.314 17.432 -10.287 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.614 19.699 -10.950 1.00 0.00 H new