USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 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= -0.948 K(o=-2.3,f=-7.8!) USER MOD Set 1.2: A 60 GLN : amide:sc= -1.38 K(o=-2.3,f=-4.4!) USER MOD Set 2.1: A 18 THR OG1 : rot -160:sc= -0.412 USER MOD Set 2.2: A 21 ASN : amide:sc= -1.11! X(o=-1.5!,f=-1.1) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 7 SER OG : rot -81:sc= 0.248 USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 1.21 (180deg=0.674) USER MOD Single : A 13 THR OG1 : rot 76:sc= 0.66 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 1.99 (180deg=1.35) USER MOD Single : A 16 CYS SG : rot 150:sc= -0.26 USER MOD Single : A 19 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.64) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -168:sc= 0 (180deg=-0.168) 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 126:sc= 1.3 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.1) USER MOD Single : A 38 ASN : amide:sc= -0.0745 K(o=-0.075,f=-2!) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0.872 (180deg=0.819) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= 1.21 (180deg=1.14) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.25) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 3.952 14.479 -3.671 1.00 0.00 N ATOM 81 CA TYR A 5 3.335 15.736 -4.076 1.00 0.00 C ATOM 82 C TYR A 5 3.548 16.815 -3.040 1.00 0.00 C ATOM 83 O TYR A 5 2.828 17.778 -3.011 1.00 0.00 O ATOM 84 CB TYR A 5 1.833 15.564 -4.390 1.00 0.00 C ATOM 85 CG TYR A 5 1.520 14.393 -5.300 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.900 14.371 -6.651 1.00 0.00 C ATOM 87 CD2 TYR A 5 0.853 13.294 -4.790 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.617 13.274 -7.436 1.00 0.00 C ATOM 89 CE2 TYR A 5 0.567 12.209 -5.568 1.00 0.00 C ATOM 90 CZ TYR A 5 0.947 12.192 -6.880 1.00 0.00 C ATOM 91 OH TYR A 5 0.670 11.075 -7.637 1.00 0.00 O ATOM 0 HA TYR A 5 3.829 16.050 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.289 15.438 -3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.463 16.479 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.417 15.218 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.552 13.294 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.914 13.256 -8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.041 11.365 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 5 0.197 10.416 -7.087 1.00 0.00 H new ATOM 101 N SER A 6 4.592 16.678 -2.257 1.00 0.00 N ATOM 102 CA SER A 6 4.907 17.591 -1.158 1.00 0.00 C ATOM 103 C SER A 6 5.061 19.067 -1.634 1.00 0.00 C ATOM 104 O SER A 6 4.546 19.994 -0.988 1.00 0.00 O ATOM 105 CB SER A 6 6.185 17.102 -0.500 1.00 0.00 C ATOM 106 OG SER A 6 6.137 15.683 -0.357 1.00 0.00 O ATOM 0 H SER A 6 5.265 15.918 -2.359 1.00 0.00 H new ATOM 0 HA SER A 6 4.080 17.590 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.048 17.388 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.306 17.572 0.476 1.00 0.00 H new ATOM 0 HG SER A 6 6.963 15.369 0.066 1.00 0.00 H new ATOM 112 N SER A 7 5.734 19.272 -2.764 1.00 0.00 N ATOM 113 CA SER A 7 5.925 20.609 -3.306 1.00 0.00 C ATOM 114 C SER A 7 4.582 21.139 -3.818 1.00 0.00 C ATOM 115 O SER A 7 4.261 22.332 -3.672 1.00 0.00 O ATOM 116 CB SER A 7 6.990 20.585 -4.435 1.00 0.00 C ATOM 117 OG SER A 7 7.281 21.881 -4.942 1.00 0.00 O ATOM 0 H SER A 7 6.155 18.527 -3.320 1.00 0.00 H new ATOM 0 HA SER A 7 6.290 21.276 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.907 20.134 -4.055 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.637 19.952 -5.249 1.00 0.00 H new ATOM 0 HG SER A 7 6.592 22.142 -5.589 1.00 0.00 H new ATOM 123 N LEU A 8 3.795 20.240 -4.385 1.00 0.00 N ATOM 124 CA LEU A 8 2.482 20.558 -4.904 1.00 0.00 C ATOM 125 C LEU A 8 1.548 20.920 -3.786 1.00 0.00 C ATOM 126 O LEU A 8 0.864 21.929 -3.849 1.00 0.00 O ATOM 127 CB LEU A 8 1.921 19.371 -5.659 1.00 0.00 C ATOM 128 CG LEU A 8 0.496 19.506 -6.161 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.353 20.658 -7.144 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.065 18.215 -6.766 1.00 0.00 C ATOM 0 H LEU A 8 4.055 19.260 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 8 2.577 21.409 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.567 19.173 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.974 18.497 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.154 19.738 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.682 20.722 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.634 21.591 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.004 20.488 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.959 18.307 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.723 17.965 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.115 17.427 -6.015 1.00 0.00 H new ATOM 142 N LEU A 9 1.544 20.090 -2.770 1.00 0.00 N ATOM 143 CA LEU A 9 0.741 20.246 -1.608 1.00 0.00 C ATOM 144 C LEU A 9 0.960 21.603 -0.964 1.00 0.00 C ATOM 145 O LEU A 9 0.025 22.203 -0.455 1.00 0.00 O ATOM 146 CB LEU A 9 1.051 19.121 -0.639 1.00 0.00 C ATOM 147 CG LEU A 9 0.483 17.738 -0.972 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.041 16.708 -0.018 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.037 17.743 -0.888 1.00 0.00 C ATOM 0 H LEU A 9 2.130 19.256 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.311 20.197 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.134 19.032 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.682 19.410 0.345 1.00 0.00 H new ATOM 0 HG LEU A 9 0.774 17.485 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.632 15.727 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.127 16.681 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.767 16.972 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.418 16.750 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.345 18.015 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.438 18.467 -1.597 1.00 0.00 H new ATOM 161 N GLY A 10 2.197 22.088 -1.030 1.00 0.00 N ATOM 162 CA GLY A 10 2.511 23.406 -0.533 1.00 0.00 C ATOM 163 C GLY A 10 1.708 24.466 -1.258 1.00 0.00 C ATOM 164 O GLY A 10 1.059 25.296 -0.631 1.00 0.00 O ATOM 0 H GLY A 10 2.990 21.582 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.302 23.455 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.576 23.602 -0.659 1.00 0.00 H new ATOM 168 N LYS A 11 1.695 24.381 -2.584 1.00 0.00 N ATOM 169 CA LYS A 11 0.958 25.285 -3.426 1.00 0.00 C ATOM 170 C LYS A 11 -0.522 25.120 -3.223 1.00 0.00 C ATOM 171 O LYS A 11 -1.277 26.091 -3.261 1.00 0.00 O ATOM 172 CB LYS A 11 1.332 25.031 -4.867 1.00 0.00 C ATOM 173 CG LYS A 11 2.675 25.574 -5.234 1.00 0.00 C ATOM 174 CD LYS A 11 2.639 27.100 -5.303 1.00 0.00 C ATOM 175 CE LYS A 11 4.026 27.688 -5.418 1.00 0.00 C ATOM 176 NZ LYS A 11 4.829 27.394 -4.214 1.00 0.00 N ATOM 0 H LYS A 11 2.208 23.667 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 11 1.212 26.311 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.318 23.957 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.578 25.478 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.415 25.255 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.986 25.169 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.040 27.411 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.150 27.493 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.524 27.283 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.957 28.767 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.493 28.175 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.199 27.287 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.362 26.513 -4.359 1.00 0.00 H new ATOM 190 N ILE A 12 -0.928 23.891 -3.015 1.00 0.00 N ATOM 191 CA ILE A 12 -2.306 23.576 -2.712 1.00 0.00 C ATOM 192 C ILE A 12 -2.729 24.305 -1.440 1.00 0.00 C ATOM 193 O ILE A 12 -3.766 24.944 -1.408 1.00 0.00 O ATOM 194 CB ILE A 12 -2.544 22.043 -2.590 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.278 21.365 -3.943 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.960 21.750 -2.114 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.448 19.859 -3.942 1.00 0.00 C ATOM 0 H ILE A 12 -0.312 23.079 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.924 23.918 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.852 21.641 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.951 21.792 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.262 21.602 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.102 20.672 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.118 22.208 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.676 22.160 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.240 19.469 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.756 19.415 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.471 19.608 -3.661 1.00 0.00 H new ATOM 209 N THR A 13 -1.904 24.252 -0.424 1.00 0.00 N ATOM 210 CA THR A 13 -2.152 24.971 0.807 1.00 0.00 C ATOM 211 C THR A 13 -2.138 26.480 0.565 1.00 0.00 C ATOM 212 O THR A 13 -3.000 27.217 1.061 1.00 0.00 O ATOM 213 CB THR A 13 -1.095 24.599 1.845 1.00 0.00 C ATOM 214 OG1 THR A 13 -1.147 23.177 2.029 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.363 25.275 3.186 1.00 0.00 C ATOM 0 H THR A 13 -1.040 23.710 -0.424 1.00 0.00 H new ATOM 0 HA THR A 13 -3.138 24.692 1.179 1.00 0.00 H new ATOM 0 HB THR A 13 -0.118 24.928 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.716 22.733 1.269 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.591 24.987 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.352 26.357 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.338 24.964 3.562 1.00 0.00 H new ATOM 223 N GLU A 14 -1.208 26.908 -0.244 1.00 0.00 N ATOM 224 CA GLU A 14 -1.024 28.294 -0.554 1.00 0.00 C ATOM 225 C GLU A 14 -2.199 28.903 -1.318 1.00 0.00 C ATOM 226 O GLU A 14 -2.441 30.107 -1.226 1.00 0.00 O ATOM 227 CB GLU A 14 0.278 28.499 -1.303 1.00 0.00 C ATOM 228 CG GLU A 14 1.563 28.366 -0.490 1.00 0.00 C ATOM 229 CD GLU A 14 2.817 28.585 -1.335 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.280 29.734 -1.435 1.00 0.00 O ATOM 231 OE2 GLU A 14 3.377 27.613 -1.893 1.00 0.00 O ATOM 0 H GLU A 14 -0.546 26.290 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.977 28.825 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.317 27.780 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.260 29.492 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.549 29.088 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.602 27.375 -0.038 1.00 0.00 H new ATOM 238 N LYS A 15 -2.923 28.098 -2.056 1.00 0.00 N ATOM 239 CA LYS A 15 -3.999 28.580 -2.831 1.00 0.00 C ATOM 240 C LYS A 15 -5.338 28.199 -2.276 1.00 0.00 C ATOM 241 O LYS A 15 -6.251 29.022 -2.191 1.00 0.00 O ATOM 242 CB LYS A 15 -3.872 28.036 -4.224 1.00 0.00 C ATOM 243 CG LYS A 15 -3.508 29.089 -5.233 1.00 0.00 C ATOM 244 CD LYS A 15 -2.124 29.638 -4.938 1.00 0.00 C ATOM 245 CE LYS A 15 -1.877 30.936 -5.660 1.00 0.00 C ATOM 246 NZ LYS A 15 -2.032 30.800 -7.110 1.00 0.00 N ATOM 0 H LYS A 15 -2.769 27.092 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.947 29.669 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.114 27.252 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.815 27.572 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.533 28.666 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.241 29.896 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.014 29.792 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.371 28.907 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.570 31.692 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.871 31.289 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.660 31.650 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.507 29.965 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.040 30.689 -7.343 1.00 0.00 H new ATOM 260 N CYS A 16 -5.460 26.984 -1.898 1.00 0.00 N ATOM 261 CA CYS A 16 -6.686 26.456 -1.531 1.00 0.00 C ATOM 262 C CYS A 16 -6.710 26.146 -0.060 1.00 0.00 C ATOM 263 O CYS A 16 -7.703 26.376 0.605 1.00 0.00 O ATOM 264 CB CYS A 16 -6.876 25.195 -2.332 1.00 0.00 C ATOM 265 SG CYS A 16 -6.808 25.435 -4.122 1.00 0.00 S ATOM 0 H CYS A 16 -4.683 26.326 -1.839 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.487 27.169 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.109 24.476 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.839 24.755 -2.072 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.350 24.358 -4.687 1.00 0.00 H new ATOM 271 N GLY A 17 -5.614 25.654 0.461 1.00 0.00 N ATOM 272 CA GLY A 17 -5.617 25.236 1.805 1.00 0.00 C ATOM 273 C GLY A 17 -5.222 23.796 1.949 1.00 0.00 C ATOM 274 O GLY A 17 -4.148 23.471 2.450 1.00 0.00 O ATOM 0 H GLY A 17 -4.728 25.541 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.931 25.859 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.611 25.383 2.228 1.00 0.00 H new ATOM 278 N THR A 18 -6.068 22.945 1.465 1.00 0.00 N ATOM 279 CA THR A 18 -5.926 21.503 1.618 1.00 0.00 C ATOM 280 C THR A 18 -6.391 20.803 0.358 1.00 0.00 C ATOM 281 O THR A 18 -6.859 21.471 -0.574 1.00 0.00 O ATOM 282 CB THR A 18 -6.817 21.042 2.781 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.176 21.486 2.524 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.320 21.636 4.088 1.00 0.00 C ATOM 0 H THR A 18 -6.898 23.221 0.940 1.00 0.00 H new ATOM 0 HA THR A 18 -4.880 21.262 1.809 1.00 0.00 H new ATOM 0 HB THR A 18 -6.786 19.955 2.861 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.683 21.491 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.959 21.302 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.297 21.308 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.347 22.724 4.027 1.00 0.00 H new ATOM 292 N GLN A 19 -6.290 19.465 0.333 1.00 0.00 N ATOM 293 CA GLN A 19 -6.773 18.663 -0.805 1.00 0.00 C ATOM 294 C GLN A 19 -8.285 18.830 -0.927 1.00 0.00 C ATOM 295 O GLN A 19 -8.844 18.839 -2.025 1.00 0.00 O ATOM 296 CB GLN A 19 -6.457 17.176 -0.621 1.00 0.00 C ATOM 297 CG GLN A 19 -4.990 16.838 -0.436 1.00 0.00 C ATOM 298 CD GLN A 19 -4.764 15.341 -0.292 1.00 0.00 C ATOM 299 OE1 GLN A 19 -5.629 14.609 0.200 1.00 0.00 O ATOM 300 NE2 GLN A 19 -3.612 14.873 -0.707 1.00 0.00 N ATOM 0 H GLN A 19 -5.879 18.915 1.087 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.267 19.014 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.008 16.810 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.830 16.633 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.422 17.210 -1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.609 17.349 0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.920 15.505 -1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.408 13.877 -0.628 1.00 0.00 H new ATOM 309 N TYR A 20 -8.917 18.955 0.227 1.00 0.00 N ATOM 310 CA TYR A 20 -10.338 19.207 0.358 1.00 0.00 C ATOM 311 C TYR A 20 -10.693 20.463 -0.412 1.00 0.00 C ATOM 312 O TYR A 20 -11.556 20.465 -1.273 1.00 0.00 O ATOM 313 CB TYR A 20 -10.642 19.454 1.833 1.00 0.00 C ATOM 314 CG TYR A 20 -12.109 19.488 2.199 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.897 20.583 1.886 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.691 18.437 2.877 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.227 20.629 2.235 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.022 18.468 3.230 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.786 19.566 2.907 1.00 0.00 C ATOM 320 OH TYR A 20 -16.122 19.599 3.265 1.00 0.00 O ATOM 0 H TYR A 20 -8.439 18.881 1.125 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.906 18.359 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.157 18.675 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.191 20.402 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.459 21.417 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.093 17.576 3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.827 21.491 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.464 17.635 3.757 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.356 18.770 3.732 1.00 0.00 H new ATOM 330 N ASN A 21 -10.016 21.527 -0.076 1.00 0.00 N ATOM 331 CA ASN A 21 -10.259 22.818 -0.695 1.00 0.00 C ATOM 332 C ASN A 21 -9.838 22.844 -2.153 1.00 0.00 C ATOM 333 O ASN A 21 -10.433 23.552 -2.957 1.00 0.00 O ATOM 334 CB ASN A 21 -9.551 23.907 0.041 1.00 0.00 C ATOM 335 CG ASN A 21 -10.061 24.153 1.448 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.224 23.874 1.775 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.219 24.740 2.264 1.00 0.00 N ATOM 0 H ASN A 21 -9.281 21.532 0.631 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.335 22.985 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.490 23.664 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.640 24.831 -0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.512 24.985 3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.271 24.951 1.953 1.00 0.00 H new ATOM 344 N PHE A 22 -8.772 22.125 -2.456 1.00 0.00 N ATOM 345 CA PHE A 22 -8.288 21.909 -3.834 1.00 0.00 C ATOM 346 C PHE A 22 -9.447 21.459 -4.679 1.00 0.00 C ATOM 347 O PHE A 22 -9.753 22.053 -5.711 1.00 0.00 O ATOM 348 CB PHE A 22 -7.233 20.800 -3.821 1.00 0.00 C ATOM 349 CG PHE A 22 -6.624 20.450 -5.157 1.00 0.00 C ATOM 350 CD1 PHE A 22 -7.071 19.344 -5.864 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.608 21.211 -5.695 1.00 0.00 C ATOM 352 CE1 PHE A 22 -6.518 19.005 -7.080 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.048 20.877 -6.918 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.504 19.773 -7.608 1.00 0.00 C ATOM 0 H PHE A 22 -8.200 21.662 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.859 22.829 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.431 21.097 -3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.685 19.900 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.866 18.738 -5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.245 22.075 -5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.879 18.140 -7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.254 21.482 -7.331 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.067 19.511 -8.560 1.00 0.00 H new ATOM 364 N ALA A 23 -10.084 20.409 -4.194 1.00 0.00 N ATOM 365 CA ALA A 23 -11.286 19.839 -4.787 1.00 0.00 C ATOM 366 C ALA A 23 -12.312 20.938 -5.046 1.00 0.00 C ATOM 367 O ALA A 23 -12.749 21.130 -6.178 1.00 0.00 O ATOM 368 CB ALA A 23 -11.887 18.811 -3.829 1.00 0.00 C ATOM 0 H ALA A 23 -9.775 19.915 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.024 19.360 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.787 18.384 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.162 18.018 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.142 19.297 -2.887 1.00 0.00 H new ATOM 374 N ILE A 24 -12.638 21.682 -3.992 1.00 0.00 N ATOM 375 CA ILE A 24 -13.610 22.766 -4.026 1.00 0.00 C ATOM 376 C ILE A 24 -13.290 23.777 -5.138 1.00 0.00 C ATOM 377 O ILE A 24 -14.140 24.086 -5.976 1.00 0.00 O ATOM 378 CB ILE A 24 -13.604 23.510 -2.672 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.892 22.546 -1.516 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.598 24.671 -2.666 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.276 21.940 -1.500 1.00 0.00 C ATOM 0 H ILE A 24 -12.223 21.543 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.588 22.327 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.606 23.926 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.161 21.738 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.736 23.077 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.567 25.172 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.334 25.380 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.603 24.290 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.372 21.275 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.020 22.734 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.436 21.374 -2.418 1.00 0.00 H new ATOM 393 N ALA A 25 -12.061 24.259 -5.147 1.00 0.00 N ATOM 394 CA ALA A 25 -11.622 25.269 -6.100 1.00 0.00 C ATOM 395 C ALA A 25 -11.570 24.731 -7.529 1.00 0.00 C ATOM 396 O ALA A 25 -11.929 25.430 -8.475 1.00 0.00 O ATOM 397 CB ALA A 25 -10.271 25.832 -5.690 1.00 0.00 C ATOM 0 H ALA A 25 -11.336 23.963 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.360 26.071 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.957 26.585 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.351 26.287 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.535 25.028 -5.661 1.00 0.00 H new ATOM 403 N MET A 26 -11.132 23.493 -7.679 1.00 0.00 N ATOM 404 CA MET A 26 -11.023 22.868 -8.955 1.00 0.00 C ATOM 405 C MET A 26 -12.402 22.531 -9.522 1.00 0.00 C ATOM 406 O MET A 26 -12.604 22.506 -10.738 1.00 0.00 O ATOM 407 CB MET A 26 -10.210 21.612 -8.808 1.00 0.00 C ATOM 408 CG MET A 26 -9.715 21.146 -10.116 1.00 0.00 C ATOM 409 SD MET A 26 -8.566 19.783 -10.017 1.00 0.00 S ATOM 410 CE MET A 26 -8.279 19.556 -11.756 1.00 0.00 C ATOM 0 H MET A 26 -10.843 22.900 -6.901 1.00 0.00 H new ATOM 0 HA MET A 26 -10.536 23.555 -9.647 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.368 21.796 -8.141 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.818 20.833 -8.347 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.565 20.847 -10.729 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.231 21.979 -10.627 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.753 18.615 -11.918 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.233 19.534 -12.282 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.674 20.379 -12.135 1.00 0.00 H new ATOM 420 N GLY A 27 -13.343 22.295 -8.642 1.00 0.00 N ATOM 421 CA GLY A 27 -14.672 21.939 -9.060 1.00 0.00 C ATOM 422 C GLY A 27 -14.866 20.450 -9.010 1.00 0.00 C ATOM 423 O GLY A 27 -15.700 19.890 -9.725 1.00 0.00 O ATOM 0 H GLY A 27 -13.211 22.344 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.404 22.427 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.848 22.299 -10.073 1.00 0.00 H new ATOM 427 N LEU A 28 -14.097 19.817 -8.164 1.00 0.00 N ATOM 428 CA LEU A 28 -14.134 18.395 -7.984 1.00 0.00 C ATOM 429 C LEU A 28 -14.655 18.075 -6.617 1.00 0.00 C ATOM 430 O LEU A 28 -14.700 18.929 -5.747 1.00 0.00 O ATOM 431 CB LEU A 28 -12.737 17.795 -8.100 1.00 0.00 C ATOM 432 CG LEU A 28 -12.044 17.866 -9.446 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.690 17.211 -9.348 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.855 17.149 -10.461 1.00 0.00 C ATOM 0 H LEU A 28 -13.414 20.288 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.779 17.977 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.099 18.291 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.799 16.746 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.930 18.910 -9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.191 17.261 -10.316 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.088 17.729 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.811 16.168 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.356 17.201 -11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.967 16.106 -10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.838 17.613 -10.535 1.00 0.00 H new ATOM 446 N SER A 29 -15.015 16.860 -6.426 1.00 0.00 N ATOM 447 CA SER A 29 -15.459 16.396 -5.158 1.00 0.00 C ATOM 448 C SER A 29 -14.249 15.837 -4.449 1.00 0.00 C ATOM 449 O SER A 29 -13.309 15.353 -5.113 1.00 0.00 O ATOM 450 CB SER A 29 -16.506 15.301 -5.345 1.00 0.00 C ATOM 451 OG SER A 29 -17.051 14.868 -4.109 1.00 0.00 O ATOM 0 H SER A 29 -15.011 16.146 -7.155 1.00 0.00 H new ATOM 0 HA SER A 29 -15.912 17.202 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.307 15.671 -5.984 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.055 14.452 -5.859 1.00 0.00 H new ATOM 0 HG SER A 29 -17.718 14.169 -4.273 1.00 0.00 H new ATOM 457 N GLU A 30 -14.269 15.865 -3.130 1.00 0.00 N ATOM 458 CA GLU A 30 -13.156 15.371 -2.325 1.00 0.00 C ATOM 459 C GLU A 30 -12.957 13.888 -2.611 1.00 0.00 C ATOM 460 O GLU A 30 -11.840 13.411 -2.702 1.00 0.00 O ATOM 461 CB GLU A 30 -13.421 15.675 -0.820 1.00 0.00 C ATOM 462 CG GLU A 30 -12.299 15.309 0.174 1.00 0.00 C ATOM 463 CD GLU A 30 -12.336 13.874 0.662 1.00 0.00 C ATOM 464 OE1 GLU A 30 -13.082 13.585 1.613 1.00 0.00 O ATOM 465 OE2 GLU A 30 -11.620 13.024 0.133 1.00 0.00 O ATOM 0 H GLU A 30 -15.050 16.228 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.228 15.880 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.628 16.740 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.325 15.145 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.335 15.493 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.362 15.974 1.035 1.00 0.00 H new ATOM 472 N ARG A 31 -14.070 13.214 -2.878 1.00 0.00 N ATOM 473 CA ARG A 31 -14.096 11.791 -3.179 1.00 0.00 C ATOM 474 C ARG A 31 -13.222 11.484 -4.397 1.00 0.00 C ATOM 475 O ARG A 31 -12.430 10.545 -4.397 1.00 0.00 O ATOM 476 CB ARG A 31 -15.528 11.380 -3.501 1.00 0.00 C ATOM 477 CG ARG A 31 -15.759 9.873 -3.518 1.00 0.00 C ATOM 478 CD ARG A 31 -15.583 9.268 -2.131 1.00 0.00 C ATOM 479 NE ARG A 31 -16.592 9.757 -1.183 1.00 0.00 N ATOM 480 CZ ARG A 31 -16.350 10.228 0.047 1.00 0.00 C ATOM 481 NH1 ARG A 31 -15.105 10.321 0.500 1.00 0.00 N ATOM 482 NH2 ARG A 31 -17.365 10.620 0.815 1.00 0.00 N ATOM 0 H ARG A 31 -14.992 13.649 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.718 11.243 -2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -16.197 11.830 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.801 11.789 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.764 9.662 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.062 9.404 -4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.646 8.182 -2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.588 9.506 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.565 9.736 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.325 10.033 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.929 10.681 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.321 10.561 0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.186 10.979 1.753 1.00 0.00 H new ATOM 496 N THR A 32 -13.362 12.314 -5.397 1.00 0.00 N ATOM 497 CA THR A 32 -12.695 12.144 -6.675 1.00 0.00 C ATOM 498 C THR A 32 -11.245 12.625 -6.605 1.00 0.00 C ATOM 499 O THR A 32 -10.333 12.008 -7.185 1.00 0.00 O ATOM 500 CB THR A 32 -13.461 12.939 -7.739 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.865 12.665 -7.590 1.00 0.00 O ATOM 502 CG2 THR A 32 -13.019 12.549 -9.141 1.00 0.00 C ATOM 0 H THR A 32 -13.952 13.145 -5.352 1.00 0.00 H new ATOM 0 HA THR A 32 -12.683 11.085 -6.934 1.00 0.00 H new ATOM 0 HB THR A 32 -13.256 14.001 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.370 13.168 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.580 13.129 -9.874 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.954 12.751 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.206 11.487 -9.299 1.00 0.00 H new ATOM 510 N VAL A 33 -11.036 13.708 -5.894 1.00 0.00 N ATOM 511 CA VAL A 33 -9.746 14.270 -5.690 1.00 0.00 C ATOM 512 C VAL A 33 -8.876 13.371 -4.955 1.00 0.00 C ATOM 513 O VAL A 33 -7.729 13.171 -5.335 1.00 0.00 O ATOM 514 CB VAL A 33 -9.877 15.596 -4.973 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.565 16.157 -4.570 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.418 16.499 -5.928 1.00 0.00 C ATOM 0 H VAL A 33 -11.785 14.226 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.287 14.431 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.482 15.455 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.717 17.108 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.063 15.461 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.949 16.315 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.539 17.482 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.743 16.575 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.388 16.134 -6.265 1.00 0.00 H new ATOM 526 N SER A 34 -9.405 12.768 -3.961 1.00 0.00 N ATOM 527 CA SER A 34 -8.608 11.953 -3.173 1.00 0.00 C ATOM 528 C SER A 34 -8.249 10.621 -3.891 1.00 0.00 C ATOM 529 O SER A 34 -7.473 9.823 -3.382 1.00 0.00 O ATOM 530 CB SER A 34 -9.190 11.754 -1.804 1.00 0.00 C ATOM 531 OG SER A 34 -9.368 13.013 -1.152 1.00 0.00 O ATOM 0 H SER A 34 -10.385 12.831 -3.685 1.00 0.00 H new ATOM 0 HA SER A 34 -7.661 12.471 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.147 11.238 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.532 11.119 -1.211 1.00 0.00 H new ATOM 0 HG SER A 34 -10.296 13.095 -0.847 1.00 0.00 H new ATOM 537 N LEU A 35 -8.874 10.379 -5.040 1.00 0.00 N ATOM 538 CA LEU A 35 -8.500 9.274 -5.897 1.00 0.00 C ATOM 539 C LEU A 35 -7.408 9.734 -6.888 1.00 0.00 C ATOM 540 O LEU A 35 -6.327 9.102 -7.001 1.00 0.00 O ATOM 541 CB LEU A 35 -9.721 8.749 -6.670 1.00 0.00 C ATOM 542 CG LEU A 35 -10.835 8.102 -5.844 1.00 0.00 C ATOM 543 CD1 LEU A 35 -12.029 7.780 -6.729 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.330 6.832 -5.175 1.00 0.00 C ATOM 0 H LEU A 35 -9.647 10.942 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.112 8.466 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.152 9.579 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.372 8.019 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.146 8.807 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.814 7.320 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.407 8.698 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.723 7.090 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.134 6.384 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.998 6.127 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.496 7.075 -4.517 1.00 0.00 H new ATOM 556 N LYS A 36 -7.695 10.838 -7.604 1.00 0.00 N ATOM 557 CA LYS A 36 -6.803 11.405 -8.602 1.00 0.00 C ATOM 558 C LYS A 36 -5.518 11.978 -8.057 1.00 0.00 C ATOM 559 O LYS A 36 -4.439 11.672 -8.542 1.00 0.00 O ATOM 560 CB LYS A 36 -7.531 12.452 -9.369 1.00 0.00 C ATOM 561 CG LYS A 36 -8.427 11.858 -10.399 1.00 0.00 C ATOM 562 CD LYS A 36 -9.411 12.839 -10.836 1.00 0.00 C ATOM 563 CE LYS A 36 -10.381 12.234 -11.825 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.737 11.876 -13.115 1.00 0.00 N ATOM 0 H LYS A 36 -8.566 11.358 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.502 10.574 -9.240 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.119 13.062 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.813 13.116 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.838 11.518 -11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.932 10.982 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.957 13.220 -9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.904 13.689 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.830 11.342 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.191 12.940 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.456 11.513 -13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.287 12.720 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.016 11.144 -12.952 1.00 0.00 H new ATOM 578 N LEU A 37 -5.637 12.771 -7.021 1.00 0.00 N ATOM 579 CA LEU A 37 -4.507 13.481 -6.428 1.00 0.00 C ATOM 580 C LEU A 37 -3.762 12.581 -5.465 1.00 0.00 C ATOM 581 O LEU A 37 -2.845 12.999 -4.758 1.00 0.00 O ATOM 582 CB LEU A 37 -5.022 14.783 -5.759 1.00 0.00 C ATOM 583 CG LEU A 37 -4.054 15.675 -5.005 1.00 0.00 C ATOM 584 CD1 LEU A 37 -3.214 16.454 -5.933 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.774 16.576 -4.032 1.00 0.00 C ATOM 0 H LEU A 37 -6.526 12.950 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.791 13.763 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.483 15.389 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.813 14.501 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.397 15.027 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.530 17.084 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.641 15.774 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.849 17.081 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.049 17.201 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.476 17.210 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.318 15.969 -3.308 1.00 0.00 H new ATOM 597 N ASN A 38 -4.120 11.338 -5.471 1.00 0.00 N ATOM 598 CA ASN A 38 -3.504 10.430 -4.594 1.00 0.00 C ATOM 599 C ASN A 38 -2.599 9.480 -5.367 1.00 0.00 C ATOM 600 O ASN A 38 -1.370 9.652 -5.368 1.00 0.00 O ATOM 601 CB ASN A 38 -4.540 9.653 -3.825 1.00 0.00 C ATOM 602 CG ASN A 38 -4.001 8.940 -2.609 1.00 0.00 C ATOM 603 OD1 ASN A 38 -2.825 8.581 -2.523 1.00 0.00 O ATOM 604 ND2 ASN A 38 -4.874 8.704 -1.673 1.00 0.00 N ATOM 0 H ASN A 38 -4.837 10.940 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.897 10.993 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.331 10.335 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.996 8.920 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.594 8.205 -0.829 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.838 9.018 -1.784 1.00 0.00 H new ATOM 611 N ASP A 39 -3.200 8.499 -6.074 1.00 0.00 N ATOM 612 CA ASP A 39 -2.371 7.473 -6.747 1.00 0.00 C ATOM 613 C ASP A 39 -3.130 6.582 -7.746 1.00 0.00 C ATOM 614 O ASP A 39 -2.487 5.820 -8.490 1.00 0.00 O ATOM 615 CB ASP A 39 -1.718 6.539 -5.710 1.00 0.00 C ATOM 616 CG ASP A 39 -2.705 5.589 -5.043 1.00 0.00 C ATOM 617 OD1 ASP A 39 -2.848 4.431 -5.493 1.00 0.00 O ATOM 618 OD2 ASP A 39 -3.343 5.963 -4.051 1.00 0.00 O ATOM 0 H ASP A 39 -4.208 8.395 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.634 8.049 -7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.938 5.956 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.232 7.143 -4.944 1.00 0.00 H new ATOM 623 N LYS A 40 -4.461 6.628 -7.779 1.00 0.00 N ATOM 624 CA LYS A 40 -5.176 5.723 -8.619 1.00 0.00 C ATOM 625 C LYS A 40 -5.365 6.306 -9.952 1.00 0.00 C ATOM 626 O LYS A 40 -5.148 5.657 -10.975 1.00 0.00 O ATOM 627 CB LYS A 40 -6.552 5.429 -8.048 1.00 0.00 C ATOM 628 CG LYS A 40 -6.560 4.842 -6.632 1.00 0.00 C ATOM 629 CD LYS A 40 -5.891 3.468 -6.615 1.00 0.00 C ATOM 630 CE LYS A 40 -5.873 2.826 -5.227 1.00 0.00 C ATOM 631 NZ LYS A 40 -5.117 3.626 -4.239 1.00 0.00 N ATOM 0 H LYS A 40 -5.038 7.274 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.591 4.805 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.131 6.352 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.064 4.735 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.039 5.515 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.586 4.757 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.413 2.808 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.868 3.564 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.897 2.697 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.433 1.831 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.221 3.201 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.111 3.643 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.487 4.598 -4.223 1.00 0.00 H new ATOM 645 N VAL A 41 -5.737 7.543 -9.967 1.00 0.00 N ATOM 646 CA VAL A 41 -6.185 8.084 -11.174 1.00 0.00 C ATOM 647 C VAL A 41 -5.330 9.224 -11.547 1.00 0.00 C ATOM 648 O VAL A 41 -5.630 10.377 -11.275 1.00 0.00 O ATOM 649 CB VAL A 41 -7.645 8.505 -11.107 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.324 7.956 -12.273 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.286 8.001 -9.871 1.00 0.00 C ATOM 0 H VAL A 41 -5.735 8.175 -9.166 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.117 7.310 -11.938 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.712 9.593 -11.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.375 8.243 -12.251 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.861 8.345 -13.180 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.244 6.869 -12.262 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.329 8.316 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.235 6.912 -9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.766 8.403 -9.001 1.00 0.00 H new ATOM 661 N THR A 42 -4.236 8.861 -12.048 1.00 0.00 N ATOM 662 CA THR A 42 -3.231 9.763 -12.532 1.00 0.00 C ATOM 663 C THR A 42 -3.790 10.714 -13.602 1.00 0.00 C ATOM 664 O THR A 42 -4.513 10.290 -14.525 1.00 0.00 O ATOM 665 CB THR A 42 -2.024 8.963 -13.037 1.00 0.00 C ATOM 666 OG1 THR A 42 -2.494 7.744 -13.657 1.00 0.00 O ATOM 667 CG2 THR A 42 -1.095 8.621 -11.886 1.00 0.00 C ATOM 0 H THR A 42 -3.977 7.880 -12.149 1.00 0.00 H new ATOM 0 HA THR A 42 -2.900 10.398 -11.710 1.00 0.00 H new ATOM 0 HB THR A 42 -1.474 9.564 -13.761 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.728 7.227 -13.984 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.244 8.053 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.741 9.540 -11.419 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.633 8.024 -11.150 1.00 0.00 H new ATOM 675 N TRP A 43 -3.485 11.980 -13.437 1.00 0.00 N ATOM 676 CA TRP A 43 -3.998 13.066 -14.265 1.00 0.00 C ATOM 677 C TRP A 43 -3.674 12.933 -15.739 1.00 0.00 C ATOM 678 O TRP A 43 -2.581 12.494 -16.134 1.00 0.00 O ATOM 679 CB TRP A 43 -3.414 14.399 -13.817 1.00 0.00 C ATOM 680 CG TRP A 43 -3.700 14.796 -12.419 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.731 15.571 -11.984 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.925 14.471 -11.270 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.640 15.749 -10.634 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.540 15.082 -10.172 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.765 13.715 -11.066 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -3.041 14.970 -8.894 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.268 13.601 -9.788 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.903 14.227 -8.716 1.00 0.00 C ATOM 0 H TRP A 43 -2.854 12.301 -12.702 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.080 13.017 -14.138 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.333 14.362 -13.949 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.790 15.179 -14.479 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.506 15.984 -12.613 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.288 16.292 -10.063 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.270 13.231 -11.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.530 15.451 -8.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.375 13.019 -9.613 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.489 14.124 -7.724 1.00 0.00 H new ATOM 699 N LYS A 44 -4.631 13.312 -16.531 1.00 0.00 N ATOM 700 CA LYS A 44 -4.460 13.506 -17.927 1.00 0.00 C ATOM 701 C LYS A 44 -3.963 14.932 -18.115 1.00 0.00 C ATOM 702 O LYS A 44 -4.026 15.736 -17.181 1.00 0.00 O ATOM 703 CB LYS A 44 -5.788 13.300 -18.660 1.00 0.00 C ATOM 704 CG LYS A 44 -6.358 11.871 -18.640 1.00 0.00 C ATOM 705 CD LYS A 44 -5.752 10.944 -19.713 1.00 0.00 C ATOM 706 CE LYS A 44 -4.263 10.692 -19.539 1.00 0.00 C ATOM 707 NZ LYS A 44 -3.756 9.726 -20.516 1.00 0.00 N ATOM 0 H LYS A 44 -5.580 13.499 -16.207 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.748 12.789 -18.337 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.528 13.971 -18.224 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.657 13.602 -19.699 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.185 11.435 -17.656 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.438 11.918 -18.782 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.277 9.989 -19.693 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.924 11.381 -20.696 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.721 11.632 -19.643 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.072 10.323 -18.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.737 9.581 -20.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.255 8.821 -20.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.915 10.089 -21.478 1.00 0.00 H new ATOM 721 N ASP A 45 -3.517 15.260 -19.296 1.00 0.00 N ATOM 722 CA ASP A 45 -2.898 16.570 -19.561 1.00 0.00 C ATOM 723 C ASP A 45 -3.830 17.748 -19.295 1.00 0.00 C ATOM 724 O ASP A 45 -3.384 18.787 -18.801 1.00 0.00 O ATOM 725 CB ASP A 45 -2.294 16.659 -20.972 1.00 0.00 C ATOM 726 CG ASP A 45 -3.329 16.620 -22.072 1.00 0.00 C ATOM 727 OD1 ASP A 45 -3.786 15.514 -22.447 1.00 0.00 O ATOM 728 OD2 ASP A 45 -3.705 17.678 -22.588 1.00 0.00 O ATOM 0 H ASP A 45 -3.562 14.646 -20.109 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.083 16.646 -18.841 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.720 17.582 -21.056 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.594 15.835 -21.112 1.00 0.00 H new ATOM 733 N ASP A 46 -5.111 17.591 -19.574 1.00 0.00 N ATOM 734 CA ASP A 46 -6.058 18.679 -19.334 1.00 0.00 C ATOM 735 C ASP A 46 -6.353 18.797 -17.854 1.00 0.00 C ATOM 736 O ASP A 46 -6.584 19.886 -17.341 1.00 0.00 O ATOM 737 CB ASP A 46 -7.351 18.505 -20.137 1.00 0.00 C ATOM 738 CG ASP A 46 -8.359 19.618 -19.893 1.00 0.00 C ATOM 739 OD1 ASP A 46 -9.425 19.365 -19.289 1.00 0.00 O ATOM 740 OD2 ASP A 46 -8.111 20.756 -20.305 1.00 0.00 O ATOM 0 H ASP A 46 -5.520 16.740 -19.960 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.594 19.604 -19.677 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.110 18.468 -21.199 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.806 17.548 -19.880 1.00 0.00 H new ATOM 745 N GLU A 47 -6.243 17.684 -17.150 1.00 0.00 N ATOM 746 CA GLU A 47 -6.500 17.674 -15.715 1.00 0.00 C ATOM 747 C GLU A 47 -5.345 18.373 -15.009 1.00 0.00 C ATOM 748 O GLU A 47 -5.540 19.128 -14.049 1.00 0.00 O ATOM 749 CB GLU A 47 -6.670 16.245 -15.190 1.00 0.00 C ATOM 750 CG GLU A 47 -7.762 15.460 -15.892 1.00 0.00 C ATOM 751 CD GLU A 47 -7.946 14.076 -15.326 1.00 0.00 C ATOM 752 OE1 GLU A 47 -9.020 13.780 -14.762 1.00 0.00 O ATOM 753 OE2 GLU A 47 -7.044 13.253 -15.437 1.00 0.00 O ATOM 0 H GLU A 47 -5.980 16.780 -17.542 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.432 18.203 -15.513 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.725 15.713 -15.300 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.892 16.284 -14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.702 16.006 -15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.523 15.384 -16.953 1.00 0.00 H new ATOM 760 N ILE A 48 -4.142 18.141 -15.532 1.00 0.00 N ATOM 761 CA ILE A 48 -2.942 18.804 -15.050 1.00 0.00 C ATOM 762 C ILE A 48 -3.075 20.308 -15.291 1.00 0.00 C ATOM 763 O ILE A 48 -2.863 21.109 -14.388 1.00 0.00 O ATOM 764 CB ILE A 48 -1.659 18.287 -15.781 1.00 0.00 C ATOM 765 CG1 ILE A 48 -1.501 16.770 -15.603 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.417 19.012 -15.264 1.00 0.00 C ATOM 767 CD1 ILE A 48 -0.310 16.170 -16.328 1.00 0.00 C ATOM 0 H ILE A 48 -3.977 17.489 -16.299 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.839 18.585 -13.987 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.769 18.498 -16.845 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.411 16.550 -14.539 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.409 16.280 -15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.465 18.639 -15.784 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.519 20.082 -15.444 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.310 18.833 -14.194 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.277 15.096 -16.146 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.405 16.354 -17.398 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.608 16.628 -15.961 1.00 0.00 H new ATOM 779 N LEU A 49 -3.505 20.660 -16.502 1.00 0.00 N ATOM 780 CA LEU A 49 -3.658 22.004 -16.942 1.00 0.00 C ATOM 781 C LEU A 49 -4.664 22.759 -16.063 1.00 0.00 C ATOM 782 O LEU A 49 -4.442 23.910 -15.697 1.00 0.00 O ATOM 783 CB LEU A 49 -4.112 21.954 -18.393 1.00 0.00 C ATOM 784 CG LEU A 49 -4.457 23.261 -19.020 1.00 0.00 C ATOM 785 CD1 LEU A 49 -3.244 24.176 -19.105 1.00 0.00 C ATOM 786 CD2 LEU A 49 -5.112 23.074 -20.371 1.00 0.00 C ATOM 0 H LEU A 49 -3.760 19.975 -17.213 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.715 22.545 -16.862 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.322 21.489 -18.983 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.984 21.303 -18.457 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.186 23.750 -18.374 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.532 25.120 -19.567 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.860 24.365 -18.103 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.470 23.699 -19.706 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.350 24.048 -20.798 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.430 22.543 -21.035 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.029 22.496 -20.254 1.00 0.00 H new ATOM 798 N LYS A 50 -5.748 22.096 -15.708 1.00 0.00 N ATOM 799 CA LYS A 50 -6.724 22.685 -14.835 1.00 0.00 C ATOM 800 C LYS A 50 -6.197 22.967 -13.453 1.00 0.00 C ATOM 801 O LYS A 50 -6.513 23.998 -12.865 1.00 0.00 O ATOM 802 CB LYS A 50 -7.976 21.896 -14.795 1.00 0.00 C ATOM 803 CG LYS A 50 -8.982 22.492 -15.740 1.00 0.00 C ATOM 804 CD LYS A 50 -8.544 22.423 -17.195 1.00 0.00 C ATOM 805 CE LYS A 50 -9.547 23.099 -18.096 1.00 0.00 C ATOM 806 NZ LYS A 50 -9.155 23.019 -19.508 1.00 0.00 N ATOM 0 H LYS A 50 -5.968 21.149 -16.015 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.961 23.657 -15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.774 20.861 -15.070 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.377 21.884 -13.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.932 21.970 -15.627 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.156 23.533 -15.468 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.570 22.899 -17.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.426 21.381 -17.494 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.524 22.635 -17.964 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.649 24.145 -17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.002 22.887 -20.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.674 23.899 -19.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.510 22.214 -19.644 1.00 0.00 H new ATOM 820 N ALA A 51 -5.353 22.077 -12.944 1.00 0.00 N ATOM 821 CA ALA A 51 -4.716 22.290 -11.653 1.00 0.00 C ATOM 822 C ALA A 51 -3.784 23.495 -11.753 1.00 0.00 C ATOM 823 O ALA A 51 -3.791 24.368 -10.894 1.00 0.00 O ATOM 824 CB ALA A 51 -3.956 21.046 -11.209 1.00 0.00 C ATOM 0 H ALA A 51 -5.095 21.204 -13.405 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.480 22.487 -10.901 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.489 21.231 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.648 20.208 -11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.187 20.808 -11.944 1.00 0.00 H new ATOM 830 N VAL A 52 -3.037 23.551 -12.850 1.00 0.00 N ATOM 831 CA VAL A 52 -2.133 24.667 -13.176 1.00 0.00 C ATOM 832 C VAL A 52 -2.887 26.004 -13.182 1.00 0.00 C ATOM 833 O VAL A 52 -2.367 27.018 -12.730 1.00 0.00 O ATOM 834 CB VAL A 52 -1.474 24.438 -14.576 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.638 25.617 -15.014 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.614 23.204 -14.556 1.00 0.00 C ATOM 0 H VAL A 52 -3.037 22.814 -13.555 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.359 24.705 -12.409 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.288 24.315 -15.291 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.201 25.411 -15.991 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.267 26.505 -15.078 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.158 25.787 -14.290 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.163 23.059 -15.538 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.171 23.320 -13.809 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.227 22.338 -14.307 1.00 0.00 H new ATOM 846 N HIS A 53 -4.112 25.975 -13.654 1.00 0.00 N ATOM 847 CA HIS A 53 -4.945 27.169 -13.771 1.00 0.00 C ATOM 848 C HIS A 53 -5.390 27.676 -12.401 1.00 0.00 C ATOM 849 O HIS A 53 -5.531 28.881 -12.188 1.00 0.00 O ATOM 850 CB HIS A 53 -6.178 26.841 -14.600 1.00 0.00 C ATOM 851 CG HIS A 53 -6.941 28.049 -15.068 1.00 0.00 C ATOM 852 ND1 HIS A 53 -8.172 28.417 -14.569 1.00 0.00 N ATOM 853 CD2 HIS A 53 -6.628 28.978 -15.997 1.00 0.00 C ATOM 854 CE1 HIS A 53 -8.572 29.515 -15.165 1.00 0.00 C ATOM 855 NE2 HIS A 53 -7.655 29.874 -16.032 1.00 0.00 N ATOM 0 H HIS A 53 -4.570 25.121 -13.972 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.354 27.949 -14.252 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.874 26.257 -15.469 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.843 26.211 -14.009 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.732 29.006 -16.599 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.499 30.035 -14.974 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.703 30.694 -16.637 1.00 0.00 H new ATOM 863 N VAL A 54 -5.581 26.760 -11.494 1.00 0.00 N ATOM 864 CA VAL A 54 -6.103 27.070 -10.168 1.00 0.00 C ATOM 865 C VAL A 54 -4.964 27.463 -9.252 1.00 0.00 C ATOM 866 O VAL A 54 -4.975 28.510 -8.603 1.00 0.00 O ATOM 867 CB VAL A 54 -6.856 25.832 -9.575 1.00 0.00 C ATOM 868 CG1 VAL A 54 -7.299 26.080 -8.142 1.00 0.00 C ATOM 869 CG2 VAL A 54 -8.061 25.472 -10.434 1.00 0.00 C ATOM 0 H VAL A 54 -5.382 25.770 -11.642 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.805 27.899 -10.251 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.156 24.997 -9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.818 25.199 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.426 26.281 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.971 26.938 -8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.570 24.609 -10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.748 26.318 -10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.729 25.231 -11.444 1.00 0.00 H new ATOM 879 N LEU A 55 -3.983 26.625 -9.244 1.00 0.00 N ATOM 880 CA LEU A 55 -2.822 26.739 -8.438 1.00 0.00 C ATOM 881 C LEU A 55 -1.884 27.844 -8.915 1.00 0.00 C ATOM 882 O LEU A 55 -1.120 28.395 -8.126 1.00 0.00 O ATOM 883 CB LEU A 55 -2.134 25.403 -8.541 1.00 0.00 C ATOM 884 CG LEU A 55 -2.612 24.245 -7.643 1.00 0.00 C ATOM 885 CD1 LEU A 55 -1.851 24.239 -6.355 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.106 24.304 -7.327 1.00 0.00 C ATOM 0 H LEU A 55 -3.973 25.794 -9.836 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.094 27.001 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.213 25.071 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.075 25.562 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.427 23.331 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.199 23.416 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.788 24.114 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.011 25.183 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.377 23.461 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.332 25.236 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.676 24.257 -8.255 1.00 0.00 H new ATOM 898 N GLU A 56 -1.994 28.184 -10.185 1.00 0.00 N ATOM 899 CA GLU A 56 -1.100 29.115 -10.869 1.00 0.00 C ATOM 900 C GLU A 56 0.295 28.547 -10.917 1.00 0.00 C ATOM 901 O GLU A 56 1.197 28.915 -10.138 1.00 0.00 O ATOM 902 CB GLU A 56 -1.123 30.550 -10.333 1.00 0.00 C ATOM 903 CG GLU A 56 -2.470 31.233 -10.446 1.00 0.00 C ATOM 904 CD GLU A 56 -2.429 32.649 -9.942 1.00 0.00 C ATOM 905 OE1 GLU A 56 -2.050 32.866 -8.775 1.00 0.00 O ATOM 906 OE2 GLU A 56 -2.795 33.570 -10.689 1.00 0.00 O ATOM 0 H GLU A 56 -2.726 27.813 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.485 29.215 -11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.820 30.540 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.383 31.140 -10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.792 31.228 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.211 30.668 -9.880 1.00 0.00 H new ATOM 913 N LEU A 57 0.418 27.565 -11.752 1.00 0.00 N ATOM 914 CA LEU A 57 1.651 26.905 -11.998 1.00 0.00 C ATOM 915 C LEU A 57 2.064 27.203 -13.413 1.00 0.00 C ATOM 916 O LEU A 57 1.446 28.053 -14.076 1.00 0.00 O ATOM 917 CB LEU A 57 1.512 25.411 -11.785 1.00 0.00 C ATOM 918 CG LEU A 57 1.096 24.936 -10.382 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.956 23.422 -10.354 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.095 25.396 -9.322 1.00 0.00 C ATOM 0 H LEU A 57 -0.361 27.193 -12.295 1.00 0.00 H new ATOM 0 HA LEU A 57 2.411 27.263 -11.303 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.780 25.035 -12.500 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.466 24.945 -12.030 1.00 0.00 H new ATOM 0 HG LEU A 57 0.130 25.384 -10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.661 23.102 -9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.196 23.113 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.910 22.964 -10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.773 25.045 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.080 24.987 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.146 26.485 -9.318 1.00 0.00 H new ATOM 932 N ASN A 58 3.070 26.556 -13.879 1.00 0.00 N ATOM 933 CA ASN A 58 3.523 26.749 -15.218 1.00 0.00 C ATOM 934 C ASN A 58 3.665 25.390 -15.893 1.00 0.00 C ATOM 935 O ASN A 58 4.053 24.425 -15.236 1.00 0.00 O ATOM 936 CB ASN A 58 4.858 27.476 -15.147 1.00 0.00 C ATOM 937 CG ASN A 58 5.503 27.712 -16.468 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.271 26.900 -16.933 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.188 28.815 -17.075 1.00 0.00 N ATOM 0 H ASN A 58 3.608 25.874 -13.344 1.00 0.00 H new ATOM 0 HA ASN A 58 2.819 27.341 -15.803 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.709 28.436 -14.653 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.539 26.898 -14.522 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.593 29.029 -17.986 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.535 29.468 -16.641 1.00 0.00 H new ATOM 946 N PRO A 59 3.345 25.285 -17.206 1.00 0.00 N ATOM 947 CA PRO A 59 3.443 24.021 -17.954 1.00 0.00 C ATOM 948 C PRO A 59 4.868 23.439 -18.027 1.00 0.00 C ATOM 949 O PRO A 59 5.040 22.244 -18.233 1.00 0.00 O ATOM 950 CB PRO A 59 2.918 24.361 -19.360 1.00 0.00 C ATOM 951 CG PRO A 59 2.924 25.851 -19.445 1.00 0.00 C ATOM 952 CD PRO A 59 2.785 26.368 -18.045 1.00 0.00 C ATOM 0 HA PRO A 59 2.869 23.242 -17.452 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.552 23.922 -20.131 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.914 23.965 -19.509 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.849 26.208 -19.898 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.105 26.205 -20.071 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.331 27.302 -17.908 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.743 26.568 -17.795 1.00 0.00 H new ATOM 960 N GLN A 60 5.872 24.267 -17.839 1.00 0.00 N ATOM 961 CA GLN A 60 7.252 23.813 -17.885 1.00 0.00 C ATOM 962 C GLN A 60 7.735 23.397 -16.530 1.00 0.00 C ATOM 963 O GLN A 60 8.668 22.616 -16.394 1.00 0.00 O ATOM 964 CB GLN A 60 8.161 24.877 -18.431 1.00 0.00 C ATOM 965 CG GLN A 60 8.059 25.064 -19.919 1.00 0.00 C ATOM 966 CD GLN A 60 6.736 25.637 -20.417 1.00 0.00 C ATOM 967 OE1 GLN A 60 6.074 26.405 -19.738 1.00 0.00 O ATOM 968 NE2 GLN A 60 6.360 25.281 -21.608 1.00 0.00 N ATOM 0 H GLN A 60 5.762 25.264 -17.652 1.00 0.00 H new ATOM 0 HA GLN A 60 7.277 22.950 -18.551 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.932 25.823 -17.940 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.191 24.626 -18.176 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.865 25.723 -20.241 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.223 24.100 -20.401 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.934 24.637 -22.153 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.491 25.645 -21.999 1.00 0.00 H new ATOM 977 N ASP A 61 7.076 23.914 -15.528 1.00 0.00 N ATOM 978 CA ASP A 61 7.398 23.642 -14.109 1.00 0.00 C ATOM 979 C ASP A 61 6.747 22.324 -13.681 1.00 0.00 C ATOM 980 O ASP A 61 6.961 21.824 -12.586 1.00 0.00 O ATOM 981 CB ASP A 61 6.870 24.786 -13.236 1.00 0.00 C ATOM 982 CG ASP A 61 7.687 25.049 -11.991 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.113 25.165 -10.903 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.936 25.195 -12.097 1.00 0.00 O ATOM 0 H ASP A 61 6.286 24.547 -15.651 1.00 0.00 H new ATOM 0 HA ASP A 61 8.479 23.566 -13.989 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.837 25.697 -13.833 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.845 24.560 -12.942 1.00 0.00 H new ATOM 989 N ILE A 62 5.976 21.767 -14.599 1.00 0.00 N ATOM 990 CA ILE A 62 5.222 20.525 -14.417 1.00 0.00 C ATOM 991 C ILE A 62 6.016 19.282 -13.946 1.00 0.00 C ATOM 992 O ILE A 62 5.580 18.658 -12.994 1.00 0.00 O ATOM 993 CB ILE A 62 4.336 20.189 -15.658 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.199 21.202 -15.773 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.791 18.752 -15.639 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.319 21.301 -14.542 1.00 0.00 C ATOM 0 H ILE A 62 5.849 22.176 -15.525 1.00 0.00 H new ATOM 0 HA ILE A 62 4.584 20.760 -13.565 1.00 0.00 H new ATOM 0 HB ILE A 62 4.975 20.257 -16.538 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.624 22.184 -15.981 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.578 20.936 -16.628 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.184 18.581 -16.528 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.623 18.048 -15.627 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.180 18.606 -14.748 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.539 22.043 -14.711 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.861 20.332 -14.343 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.924 21.599 -13.686 1.00 0.00 H new ATOM 1008 N PRO A 63 7.221 18.926 -14.522 1.00 0.00 N ATOM 1009 CA PRO A 63 7.892 17.645 -14.194 1.00 0.00 C ATOM 1010 C PRO A 63 8.356 17.588 -12.754 1.00 0.00 C ATOM 1011 O PRO A 63 8.652 16.527 -12.212 1.00 0.00 O ATOM 1012 CB PRO A 63 9.094 17.621 -15.132 1.00 0.00 C ATOM 1013 CG PRO A 63 9.377 19.040 -15.425 1.00 0.00 C ATOM 1014 CD PRO A 63 8.047 19.728 -15.447 1.00 0.00 C ATOM 0 HA PRO A 63 7.219 16.796 -14.314 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.951 17.136 -14.664 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.872 17.066 -16.044 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.028 19.473 -14.666 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.888 19.147 -16.382 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.127 20.764 -15.117 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.622 19.745 -16.451 1.00 0.00 H new ATOM 1022 N LYS A 64 8.391 18.731 -12.156 1.00 0.00 N ATOM 1023 CA LYS A 64 8.812 18.889 -10.800 1.00 0.00 C ATOM 1024 C LYS A 64 7.684 18.451 -9.871 1.00 0.00 C ATOM 1025 O LYS A 64 7.921 17.841 -8.830 1.00 0.00 O ATOM 1026 CB LYS A 64 9.160 20.349 -10.553 1.00 0.00 C ATOM 1027 CG LYS A 64 9.987 20.974 -11.672 1.00 0.00 C ATOM 1028 CD LYS A 64 10.419 22.368 -11.308 1.00 0.00 C ATOM 1029 CE LYS A 64 11.275 22.991 -12.387 1.00 0.00 C ATOM 1030 NZ LYS A 64 11.566 24.404 -12.086 1.00 0.00 N ATOM 0 H LYS A 64 8.121 19.605 -12.606 1.00 0.00 H new ATOM 0 HA LYS A 64 9.691 18.275 -10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.239 20.918 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.711 20.430 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.864 20.357 -11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.402 20.999 -12.591 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.539 22.989 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.976 22.343 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.209 22.436 -12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.764 22.919 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.183 24.797 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.677 24.943 -12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.044 24.471 -11.165 1.00 0.00 H new ATOM 1044 N TYR A 65 6.459 18.735 -10.281 1.00 0.00 N ATOM 1045 CA TYR A 65 5.285 18.399 -9.518 1.00 0.00 C ATOM 1046 C TYR A 65 4.715 17.065 -9.967 1.00 0.00 C ATOM 1047 O TYR A 65 4.555 16.144 -9.166 1.00 0.00 O ATOM 1048 CB TYR A 65 4.209 19.489 -9.664 1.00 0.00 C ATOM 1049 CG TYR A 65 4.578 20.825 -9.065 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.332 21.054 -7.738 1.00 0.00 C ATOM 1051 CD2 TYR A 65 5.164 21.853 -9.816 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.645 22.247 -7.141 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.482 23.060 -9.220 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.215 23.244 -7.870 1.00 0.00 C ATOM 1055 OH TYR A 65 5.531 24.432 -7.245 1.00 0.00 O ATOM 0 H TYR A 65 6.258 19.209 -11.161 1.00 0.00 H new ATOM 0 HA TYR A 65 5.580 18.327 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.994 19.628 -10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.290 19.138 -9.196 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.879 20.273 -7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.368 21.702 -10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.439 22.396 -6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.934 23.852 -9.799 1.00 0.00 H new ATOM 0 HH TYR A 65 5.932 25.047 -7.894 1.00 0.00 H new ATOM 1065 N PHE A 66 4.442 16.963 -11.251 1.00 0.00 N ATOM 1066 CA PHE A 66 3.822 15.797 -11.823 1.00 0.00 C ATOM 1067 C PHE A 66 4.684 15.321 -12.999 1.00 0.00 C ATOM 1068 O PHE A 66 4.577 15.866 -14.089 1.00 0.00 O ATOM 1069 CB PHE A 66 2.446 16.146 -12.453 1.00 0.00 C ATOM 1070 CG PHE A 66 1.511 17.015 -11.661 1.00 0.00 C ATOM 1071 CD1 PHE A 66 0.618 16.468 -10.768 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.500 18.390 -11.861 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -0.271 17.270 -10.085 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.620 19.198 -11.174 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.269 18.638 -10.287 1.00 0.00 C ATOM 0 H PHE A 66 4.648 17.697 -11.929 1.00 0.00 H new ATOM 0 HA PHE A 66 3.713 15.056 -11.031 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.630 16.637 -13.408 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.930 15.210 -12.670 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.614 15.401 -10.601 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.190 18.832 -12.564 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.971 16.829 -9.391 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.629 20.266 -11.332 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.964 19.265 -9.749 1.00 0.00 H new