USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 23 THR OG1 : rot 105:sc= 0.428 USER MOD Set 1.2: A 31 MET CE :methyl -170:sc=-0.00898 (180deg=-0.102) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00838 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc=-0.00818 (180deg=-0.0992) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 133:sc= 1 (180deg=0.227) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 17 MET CE :methyl -157:sc= -0.219 (180deg=-1.04) USER MOD Single : A 18 GLN : amide:sc= -0.763 K(o=-0.76,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -162:sc= -0.231 (180deg=-0.797) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 71:sc= -1.76! USER MOD Single : A 45 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00538 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.13 (180deg=1.09) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 90:sc= 0.971 USER MOD Single : A 72 MET CE :methyl -162:sc= -0.12 (180deg=-0.57) USER MOD Single : A 75 ASN : amide:sc= -0.0972 X(o=-0.097,f=-0.093) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -155:sc= -2.76! (180deg=-5.32!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0396 K(o=-0.04,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 14.685 -8.367 1.762 1.00 1.00 N ATOM 107 CA VAL A 2 13.501 -8.699 0.982 1.00 1.00 C ATOM 108 C VAL A 2 12.389 -7.671 1.229 1.00 1.00 C ATOM 109 O VAL A 2 11.795 -7.610 2.309 1.00 1.00 O ATOM 110 CB VAL A 2 13.001 -10.138 1.279 1.00 1.00 C ATOM 111 CG1 VAL A 2 12.775 -10.360 2.770 1.00 1.00 C ATOM 112 CG2 VAL A 2 11.734 -10.443 0.489 1.00 1.00 C ATOM 0 HA VAL A 2 13.778 -8.664 -0.072 1.00 1.00 H new ATOM 0 HB VAL A 2 13.782 -10.828 0.960 1.00 1.00 H new ATOM 0 HG11 VAL A 2 12.425 -11.379 2.937 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.711 -10.205 3.307 1.00 1.00 H new ATOM 0 HG13 VAL A 2 12.027 -9.655 3.133 1.00 1.00 H new ATOM 0 HG21 VAL A 2 11.401 -11.457 0.712 1.00 1.00 H new ATOM 0 HG22 VAL A 2 10.953 -9.735 0.766 1.00 1.00 H new ATOM 0 HG23 VAL A 2 11.940 -10.356 -0.578 1.00 1.00 H new ATOM 122 N ALA A 3 12.145 -6.836 0.231 1.00 1.00 N ATOM 123 CA ALA A 3 11.153 -5.784 0.344 1.00 1.00 C ATOM 124 C ALA A 3 9.924 -6.112 -0.484 1.00 1.00 C ATOM 125 O ALA A 3 10.026 -6.515 -1.644 1.00 1.00 O ATOM 126 CB ALA A 3 11.735 -4.449 -0.088 1.00 1.00 C ATOM 0 H ALA A 3 12.624 -6.869 -0.669 1.00 1.00 H new ATOM 0 HA ALA A 3 10.856 -5.712 1.390 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.975 -3.674 0.004 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.586 -4.200 0.547 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.063 -4.514 -1.125 1.00 1.00 H new ATOM 132 N LEU A 4 8.768 -5.931 0.120 1.00 1.00 N ATOM 133 CA LEU A 4 7.507 -6.191 -0.537 1.00 1.00 C ATOM 134 C LEU A 4 7.193 -5.055 -1.502 1.00 1.00 C ATOM 135 O LEU A 4 6.787 -3.967 -1.096 1.00 1.00 O ATOM 136 CB LEU A 4 6.395 -6.359 0.508 1.00 1.00 C ATOM 137 CG LEU A 4 6.406 -7.689 1.287 1.00 1.00 C ATOM 138 CD1 LEU A 4 7.733 -7.930 1.988 1.00 1.00 C ATOM 139 CD2 LEU A 4 5.279 -7.718 2.305 1.00 1.00 C ATOM 0 H LEU A 4 8.678 -5.599 1.080 1.00 1.00 H new ATOM 0 HA LEU A 4 7.573 -7.118 -1.107 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.467 -5.540 1.223 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.432 -6.261 0.006 1.00 1.00 H new ATOM 0 HG LEU A 4 6.262 -8.487 0.558 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.694 -8.878 2.524 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.534 -7.963 1.249 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.924 -7.122 2.694 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.302 -8.664 2.846 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.403 -6.895 3.008 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.323 -7.616 1.792 1.00 1.00 H new ATOM 151 N SER A 5 7.413 -5.312 -2.780 1.00 1.00 N ATOM 152 CA SER A 5 7.234 -4.303 -3.807 1.00 1.00 C ATOM 153 C SER A 5 5.875 -4.449 -4.475 1.00 1.00 C ATOM 154 O SER A 5 5.671 -5.342 -5.293 1.00 1.00 O ATOM 155 CB SER A 5 8.345 -4.429 -4.844 1.00 1.00 C ATOM 156 OG SER A 5 9.621 -4.339 -4.229 1.00 1.00 O ATOM 0 H SER A 5 7.718 -6.219 -3.132 1.00 1.00 H new ATOM 0 HA SER A 5 7.281 -3.318 -3.343 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.255 -5.381 -5.367 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.241 -3.643 -5.592 1.00 1.00 H new ATOM 0 HG SER A 5 10.320 -4.424 -4.911 1.00 1.00 H new ATOM 162 N LEU A 6 4.945 -3.583 -4.121 1.00 1.00 N ATOM 163 CA LEU A 6 3.603 -3.665 -4.666 1.00 1.00 C ATOM 164 C LEU A 6 3.302 -2.474 -5.557 1.00 1.00 C ATOM 165 O LEU A 6 3.963 -1.435 -5.481 1.00 1.00 O ATOM 166 CB LEU A 6 2.551 -3.754 -3.557 1.00 1.00 C ATOM 167 CG LEU A 6 2.426 -5.116 -2.868 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.572 -5.347 -1.898 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.090 -5.221 -2.156 1.00 1.00 C ATOM 0 H LEU A 6 5.092 -2.818 -3.462 1.00 1.00 H new ATOM 0 HA LEU A 6 3.557 -4.576 -5.263 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.783 -3.005 -2.800 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.581 -3.491 -3.979 1.00 1.00 H new ATOM 0 HG LEU A 6 2.478 -5.892 -3.632 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.457 -6.322 -1.424 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.518 -5.316 -2.439 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.565 -4.569 -1.135 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.012 -6.193 -1.670 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.014 -4.433 -1.406 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.282 -5.112 -2.880 1.00 1.00 H new ATOM 181 N LYS A 7 2.309 -2.643 -6.409 1.00 1.00 N ATOM 182 CA LYS A 7 1.847 -1.575 -7.268 1.00 1.00 C ATOM 183 C LYS A 7 0.719 -0.825 -6.578 1.00 1.00 C ATOM 184 O LYS A 7 -0.317 -1.406 -6.252 1.00 1.00 O ATOM 185 CB LYS A 7 1.358 -2.134 -8.607 1.00 1.00 C ATOM 186 CG LYS A 7 2.392 -2.957 -9.361 1.00 1.00 C ATOM 187 CD LYS A 7 3.653 -2.158 -9.657 1.00 1.00 C ATOM 188 CE LYS A 7 4.585 -2.906 -10.606 1.00 1.00 C ATOM 189 NZ LYS A 7 4.921 -4.268 -10.110 1.00 1.00 N ATOM 0 H LYS A 7 1.803 -3.521 -6.523 1.00 1.00 H new ATOM 0 HA LYS A 7 2.676 -0.894 -7.462 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.479 -2.753 -8.429 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.041 -1.304 -9.239 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.651 -3.839 -8.775 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.960 -3.312 -10.297 1.00 1.00 H new ATOM 0 HD2 LYS A 7 3.381 -1.198 -10.096 1.00 1.00 H new ATOM 0 HD3 LYS A 7 4.177 -1.946 -8.725 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.115 -2.984 -11.586 1.00 1.00 H new ATOM 0 HE3 LYS A 7 5.503 -2.333 -10.737 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.670 -4.678 -10.703 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 5.252 -4.207 -9.126 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 4.075 -4.872 -10.154 1.00 1.00 H new ATOM 203 N ILE A 8 0.931 0.453 -6.336 1.00 1.00 N ATOM 204 CA ILE A 8 -0.065 1.282 -5.687 1.00 1.00 C ATOM 205 C ILE A 8 -0.977 1.919 -6.723 1.00 1.00 C ATOM 206 O ILE A 8 -0.536 2.715 -7.549 1.00 1.00 O ATOM 207 CB ILE A 8 0.588 2.382 -4.822 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.347 1.751 -3.651 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.456 3.369 -4.320 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.480 0.890 -2.755 1.00 1.00 C ATOM 0 H ILE A 8 1.791 0.943 -6.581 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.652 0.638 -5.032 1.00 1.00 H new ATOM 0 HB ILE A 8 1.297 2.932 -5.440 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.163 1.144 -4.044 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.798 2.543 -3.053 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.029 4.134 -3.713 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -0.950 3.839 -5.170 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.195 2.842 -3.717 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.087 0.478 -1.949 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.321 1.496 -2.332 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.050 0.076 -3.338 1.00 1.00 H new ATOM 222 N SER A 9 -2.239 1.546 -6.682 1.00 1.00 N ATOM 223 CA SER A 9 -3.220 2.074 -7.606 1.00 1.00 C ATOM 224 C SER A 9 -4.023 3.186 -6.936 1.00 1.00 C ATOM 225 O SER A 9 -4.913 2.928 -6.127 1.00 1.00 O ATOM 226 CB SER A 9 -4.140 0.945 -8.080 1.00 1.00 C ATOM 227 OG SER A 9 -4.971 1.361 -9.150 1.00 1.00 O ATOM 0 H SER A 9 -2.612 0.873 -6.012 1.00 1.00 H new ATOM 0 HA SER A 9 -2.713 2.496 -8.474 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.538 0.093 -8.397 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.759 0.606 -7.249 1.00 1.00 H new ATOM 0 HG SER A 9 -5.543 0.616 -9.428 1.00 1.00 H new ATOM 233 N ILE A 10 -3.680 4.423 -7.249 1.00 1.00 N ATOM 234 CA ILE A 10 -4.390 5.573 -6.714 1.00 1.00 C ATOM 235 C ILE A 10 -5.473 6.008 -7.694 1.00 1.00 C ATOM 236 O ILE A 10 -5.197 6.720 -8.662 1.00 1.00 O ATOM 237 CB ILE A 10 -3.433 6.756 -6.438 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.313 6.325 -5.488 1.00 1.00 C ATOM 239 CG2 ILE A 10 -4.200 7.933 -5.847 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.170 7.315 -5.410 1.00 1.00 C ATOM 0 H ILE A 10 -2.910 4.658 -7.875 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.841 5.278 -5.767 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.989 7.068 -7.383 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.729 6.183 -4.490 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.925 5.359 -5.812 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.512 8.757 -5.658 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.969 8.255 -6.549 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.668 7.629 -4.910 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.414 6.944 -4.718 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.728 7.439 -6.399 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.544 8.276 -5.057 1.00 1.00 H new ATOM 252 N GLY A 11 -6.693 5.541 -7.461 1.00 1.00 N ATOM 253 CA GLY A 11 -7.790 5.838 -8.365 1.00 1.00 C ATOM 254 C GLY A 11 -7.677 5.050 -9.654 1.00 1.00 C ATOM 255 O GLY A 11 -8.376 4.052 -9.848 1.00 1.00 O ATOM 0 H GLY A 11 -6.944 4.961 -6.661 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.737 5.606 -7.878 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.799 6.905 -8.589 1.00 1.00 H new ATOM 259 N ASN A 12 -6.793 5.500 -10.532 1.00 1.00 N ATOM 260 CA ASN A 12 -6.490 4.786 -11.766 1.00 1.00 C ATOM 261 C ASN A 12 -4.994 4.845 -12.055 1.00 1.00 C ATOM 262 O ASN A 12 -4.529 4.328 -13.069 1.00 1.00 O ATOM 263 CB ASN A 12 -7.266 5.371 -12.953 1.00 1.00 C ATOM 264 CG ASN A 12 -8.744 5.027 -12.921 1.00 1.00 C ATOM 265 OD1 ASN A 12 -9.556 5.763 -12.358 1.00 1.00 O ATOM 266 ND2 ASN A 12 -9.105 3.909 -13.531 1.00 1.00 N ATOM 0 H ASN A 12 -6.267 6.366 -10.411 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.795 3.748 -11.633 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -7.151 6.455 -12.957 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -6.832 5.001 -13.882 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -10.086 3.630 -13.546 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.402 3.326 -13.986 1.00 1.00 H new ATOM 273 N VAL A 13 -4.246 5.466 -11.153 1.00 1.00 N ATOM 274 CA VAL A 13 -2.811 5.643 -11.339 1.00 1.00 C ATOM 275 C VAL A 13 -2.029 4.568 -10.592 1.00 1.00 C ATOM 276 O VAL A 13 -1.990 4.557 -9.363 1.00 1.00 O ATOM 277 CB VAL A 13 -2.349 7.033 -10.856 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.857 7.211 -11.083 1.00 1.00 C ATOM 279 CG2 VAL A 13 -3.134 8.134 -11.554 1.00 1.00 C ATOM 0 H VAL A 13 -4.609 5.856 -10.284 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.614 5.557 -12.408 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.542 7.103 -9.786 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.551 8.198 -10.736 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.311 6.447 -10.530 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.637 7.116 -12.146 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.792 9.106 -11.199 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.978 8.066 -12.631 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.195 8.020 -11.334 1.00 1.00 H new ATOM 289 N VAL A 14 -1.416 3.665 -11.339 1.00 1.00 N ATOM 290 CA VAL A 14 -0.634 2.588 -10.754 1.00 1.00 C ATOM 291 C VAL A 14 0.848 2.956 -10.701 1.00 1.00 C ATOM 292 O VAL A 14 1.508 3.081 -11.736 1.00 1.00 O ATOM 293 CB VAL A 14 -0.810 1.276 -11.551 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.017 0.147 -10.916 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.282 0.905 -11.654 1.00 1.00 C ATOM 0 H VAL A 14 -1.445 3.657 -12.359 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.000 2.436 -9.739 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.425 1.437 -12.558 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.157 -0.766 -11.495 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.041 0.409 -10.901 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.365 -0.013 -9.896 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.385 -0.022 -12.219 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.694 0.768 -10.654 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.823 1.702 -12.163 1.00 1.00 H new ATOM 305 N LYS A 15 1.361 3.143 -9.495 1.00 1.00 N ATOM 306 CA LYS A 15 2.771 3.460 -9.290 1.00 1.00 C ATOM 307 C LYS A 15 3.431 2.405 -8.405 1.00 1.00 C ATOM 308 O LYS A 15 2.815 1.892 -7.477 1.00 1.00 O ATOM 309 CB LYS A 15 2.923 4.846 -8.660 1.00 1.00 C ATOM 310 CG LYS A 15 2.569 5.997 -9.591 1.00 1.00 C ATOM 311 CD LYS A 15 3.526 6.079 -10.765 1.00 1.00 C ATOM 312 CE LYS A 15 3.316 7.354 -11.563 1.00 1.00 C ATOM 313 NZ LYS A 15 3.462 8.578 -10.726 1.00 1.00 N ATOM 0 H LYS A 15 0.818 3.080 -8.634 1.00 1.00 H new ATOM 0 HA LYS A 15 3.267 3.462 -10.261 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.290 4.902 -7.775 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.953 4.969 -8.324 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.551 5.869 -9.959 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.591 6.935 -9.036 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.553 6.040 -10.402 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.384 5.214 -11.413 1.00 1.00 H new ATOM 0 HE2 LYS A 15 4.034 7.389 -12.382 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.322 7.340 -12.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.069 9.264 -11.218 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 2.526 9.000 -10.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.893 8.325 -9.814 1.00 1.00 H new ATOM 327 N THR A 16 4.681 2.084 -8.698 1.00 1.00 N ATOM 328 CA THR A 16 5.390 1.028 -7.984 1.00 1.00 C ATOM 329 C THR A 16 5.994 1.547 -6.675 1.00 1.00 C ATOM 330 O THR A 16 6.596 2.622 -6.641 1.00 1.00 O ATOM 331 CB THR A 16 6.505 0.437 -8.868 1.00 1.00 C ATOM 332 OG1 THR A 16 5.958 0.044 -10.135 1.00 1.00 O ATOM 333 CG2 THR A 16 7.157 -0.766 -8.201 1.00 1.00 C ATOM 0 H THR A 16 5.229 2.540 -9.427 1.00 1.00 H new ATOM 0 HA THR A 16 4.666 0.249 -7.744 1.00 1.00 H new ATOM 0 HB THR A 16 7.267 1.203 -9.013 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.669 -0.330 -10.696 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.940 -1.161 -8.849 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.593 -0.463 -7.249 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.406 -1.537 -8.027 1.00 1.00 H new ATOM 341 N MET A 17 5.826 0.780 -5.602 1.00 1.00 N ATOM 342 CA MET A 17 6.358 1.158 -4.297 1.00 1.00 C ATOM 343 C MET A 17 7.049 -0.015 -3.612 1.00 1.00 C ATOM 344 O MET A 17 6.587 -1.154 -3.690 1.00 1.00 O ATOM 345 CB MET A 17 5.242 1.686 -3.396 1.00 1.00 C ATOM 346 CG MET A 17 4.880 3.137 -3.649 1.00 1.00 C ATOM 347 SD MET A 17 6.165 4.273 -3.093 1.00 1.00 S ATOM 348 CE MET A 17 6.183 3.928 -1.334 1.00 1.00 C ATOM 0 H MET A 17 5.325 -0.108 -5.611 1.00 1.00 H new ATOM 0 HA MET A 17 7.095 1.943 -4.463 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.353 1.071 -3.537 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.546 1.574 -2.355 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.705 3.284 -4.715 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.946 3.370 -3.137 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.594 4.784 -0.799 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.166 3.739 -0.990 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.800 3.050 -1.142 1.00 1.00 H new ATOM 358 N GLN A 18 8.156 0.277 -2.945 1.00 1.00 N ATOM 359 CA GLN A 18 8.872 -0.720 -2.160 1.00 1.00 C ATOM 360 C GLN A 18 8.536 -0.560 -0.685 1.00 1.00 C ATOM 361 O GLN A 18 8.859 0.459 -0.073 1.00 1.00 O ATOM 362 CB GLN A 18 10.387 -0.597 -2.353 1.00 1.00 C ATOM 363 CG GLN A 18 10.866 -0.973 -3.744 1.00 1.00 C ATOM 364 CD GLN A 18 12.382 -0.977 -3.860 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.952 -1.747 -4.628 1.00 1.00 O ATOM 366 NE2 GLN A 18 13.046 -0.117 -3.100 1.00 1.00 N ATOM 0 H GLN A 18 8.581 1.204 -2.932 1.00 1.00 H new ATOM 0 HA GLN A 18 8.559 -1.705 -2.505 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.687 0.429 -2.142 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.888 -1.233 -1.623 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.483 -1.961 -4.001 1.00 1.00 H new ATOM 0 HG3 GLN A 18 10.452 -0.272 -4.469 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.538 0.508 -2.474 1.00 1.00 H new ATOM 0 HE22 GLN A 18 14.064 -0.080 -3.142 1.00 1.00 H new ATOM 375 N PHE A 19 7.880 -1.559 -0.122 1.00 1.00 N ATOM 376 CA PHE A 19 7.496 -1.524 1.277 1.00 1.00 C ATOM 377 C PHE A 19 8.264 -2.567 2.074 1.00 1.00 C ATOM 378 O PHE A 19 8.673 -3.595 1.539 1.00 1.00 O ATOM 379 CB PHE A 19 6.000 -1.798 1.430 1.00 1.00 C ATOM 380 CG PHE A 19 5.098 -0.804 0.756 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.947 0.475 1.266 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.378 -1.163 -0.371 1.00 1.00 C ATOM 383 CE1 PHE A 19 4.094 1.379 0.662 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.527 -0.264 -0.981 1.00 1.00 C ATOM 385 CZ PHE A 19 3.383 1.008 -0.464 1.00 1.00 C ATOM 0 H PHE A 19 7.601 -2.407 -0.615 1.00 1.00 H new ATOM 0 HA PHE A 19 7.730 -0.530 1.657 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.785 -2.789 1.031 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.758 -1.823 2.492 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.502 0.769 2.145 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.484 -2.158 -0.777 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.983 2.373 1.069 1.00 1.00 H new ATOM 0 HE2 PHE A 19 2.974 -0.555 -1.862 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.716 1.712 -0.939 1.00 1.00 H new ATOM 395 N GLU A 20 8.461 -2.301 3.353 1.00 1.00 N ATOM 396 CA GLU A 20 9.004 -3.302 4.257 1.00 1.00 C ATOM 397 C GLU A 20 7.854 -4.107 4.848 1.00 1.00 C ATOM 398 O GLU A 20 6.793 -3.556 5.132 1.00 1.00 O ATOM 399 CB GLU A 20 9.815 -2.640 5.373 1.00 1.00 C ATOM 400 CG GLU A 20 10.997 -1.830 4.872 1.00 1.00 C ATOM 401 CD GLU A 20 11.742 -1.141 5.995 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.597 -1.788 6.633 1.00 1.00 O ATOM 403 OE2 GLU A 20 11.467 0.050 6.251 1.00 1.00 O ATOM 0 H GLU A 20 8.254 -1.403 3.789 1.00 1.00 H new ATOM 0 HA GLU A 20 9.672 -3.963 3.704 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.158 -1.989 5.950 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.177 -3.411 6.053 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.682 -2.486 4.334 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.646 -1.083 4.160 1.00 1.00 H new ATOM 410 N PRO A 21 8.041 -5.415 5.043 1.00 1.00 N ATOM 411 CA PRO A 21 6.976 -6.302 5.528 1.00 1.00 C ATOM 412 C PRO A 21 6.452 -5.901 6.908 1.00 1.00 C ATOM 413 O PRO A 21 5.287 -6.137 7.233 1.00 1.00 O ATOM 414 CB PRO A 21 7.640 -7.682 5.589 1.00 1.00 C ATOM 415 CG PRO A 21 9.110 -7.424 5.548 1.00 1.00 C ATOM 416 CD PRO A 21 9.301 -6.134 4.803 1.00 1.00 C ATOM 0 HA PRO A 21 6.104 -6.265 4.875 1.00 1.00 H new ATOM 0 HB2 PRO A 21 7.360 -8.211 6.500 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.328 -8.304 4.750 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.519 -7.353 6.556 1.00 1.00 H new ATOM 0 HG3 PRO A 21 9.632 -8.240 5.049 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.160 -5.577 5.177 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.471 -6.305 3.740 1.00 1.00 H new ATOM 424 N SER A 22 7.308 -5.274 7.703 1.00 1.00 N ATOM 425 CA SER A 22 6.953 -4.882 9.060 1.00 1.00 C ATOM 426 C SER A 22 6.450 -3.438 9.118 1.00 1.00 C ATOM 427 O SER A 22 6.368 -2.841 10.191 1.00 1.00 O ATOM 428 CB SER A 22 8.161 -5.063 9.971 1.00 1.00 C ATOM 429 OG SER A 22 8.650 -6.393 9.895 1.00 1.00 O ATOM 0 H SER A 22 8.259 -5.025 7.429 1.00 1.00 H new ATOM 0 HA SER A 22 6.139 -5.521 9.401 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.947 -4.364 9.685 1.00 1.00 H new ATOM 0 HB3 SER A 22 7.886 -4.829 10.999 1.00 1.00 H new ATOM 0 HG SER A 22 9.426 -6.490 10.485 1.00 1.00 H new ATOM 435 N THR A 23 6.108 -2.881 7.965 1.00 1.00 N ATOM 436 CA THR A 23 5.566 -1.534 7.912 1.00 1.00 C ATOM 437 C THR A 23 4.093 -1.546 8.303 1.00 1.00 C ATOM 438 O THR A 23 3.338 -2.424 7.876 1.00 1.00 O ATOM 439 CB THR A 23 5.712 -0.924 6.505 1.00 1.00 C ATOM 440 OG1 THR A 23 7.057 -1.090 6.042 1.00 1.00 O ATOM 441 CG2 THR A 23 5.353 0.554 6.503 1.00 1.00 C ATOM 0 H THR A 23 6.196 -3.340 7.058 1.00 1.00 H new ATOM 0 HA THR A 23 6.131 -0.923 8.615 1.00 1.00 H new ATOM 0 HB THR A 23 5.024 -1.444 5.839 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.085 -1.798 5.365 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.466 0.955 5.496 1.00 1.00 H new ATOM 0 HG22 THR A 23 4.320 0.678 6.829 1.00 1.00 H new ATOM 0 HG23 THR A 23 6.015 1.090 7.183 1.00 1.00 H new ATOM 449 N MET A 24 3.696 -0.588 9.127 1.00 1.00 N ATOM 450 CA MET A 24 2.302 -0.449 9.522 1.00 1.00 C ATOM 451 C MET A 24 1.488 0.060 8.340 1.00 1.00 C ATOM 452 O MET A 24 1.977 0.870 7.556 1.00 1.00 O ATOM 453 CB MET A 24 2.175 0.516 10.704 1.00 1.00 C ATOM 454 CG MET A 24 2.947 0.079 11.939 1.00 1.00 C ATOM 455 SD MET A 24 2.315 -1.452 12.657 1.00 1.00 S ATOM 456 CE MET A 24 0.667 -0.943 13.137 1.00 1.00 C ATOM 0 H MET A 24 4.321 0.106 9.536 1.00 1.00 H new ATOM 0 HA MET A 24 1.921 -1.422 9.831 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.527 1.501 10.396 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.122 0.621 10.964 1.00 1.00 H new ATOM 0 HG2 MET A 24 3.997 -0.055 11.677 1.00 1.00 H new ATOM 0 HG3 MET A 24 2.904 0.870 12.687 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.266 -1.648 13.865 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.708 0.052 13.580 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.022 -0.922 12.258 1.00 1.00 H new ATOM 466 N VAL A 25 0.254 -0.406 8.214 1.00 1.00 N ATOM 467 CA VAL A 25 -0.583 -0.045 7.071 1.00 1.00 C ATOM 468 C VAL A 25 -0.757 1.469 6.939 1.00 1.00 C ATOM 469 O VAL A 25 -0.645 2.016 5.839 1.00 1.00 O ATOM 470 CB VAL A 25 -1.966 -0.724 7.144 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.892 -0.193 6.060 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.814 -2.233 7.023 1.00 1.00 C ATOM 0 H VAL A 25 -0.192 -1.033 8.884 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.061 -0.406 6.185 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.413 -0.491 8.111 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.860 -0.688 6.134 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.023 0.881 6.188 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.457 -0.391 5.080 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.796 -2.703 7.076 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.346 -2.476 6.069 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.191 -2.602 7.837 1.00 1.00 H new ATOM 482 N TYR A 26 -1.006 2.154 8.051 1.00 1.00 N ATOM 483 CA TYR A 26 -1.187 3.604 8.010 1.00 1.00 C ATOM 484 C TYR A 26 0.127 4.293 7.654 1.00 1.00 C ATOM 485 O TYR A 26 0.136 5.381 7.080 1.00 1.00 O ATOM 486 CB TYR A 26 -1.727 4.143 9.343 1.00 1.00 C ATOM 487 CG TYR A 26 -0.743 4.087 10.496 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.621 2.949 11.280 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.059 5.179 10.801 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.273 2.898 12.332 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.955 5.134 11.850 1.00 1.00 C ATOM 492 CZ TYR A 26 1.058 3.993 12.612 1.00 1.00 C ATOM 493 OH TYR A 26 1.954 3.947 13.654 1.00 1.00 O ATOM 0 H TYR A 26 -1.086 1.738 8.979 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.925 3.825 7.238 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.040 5.177 9.201 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.617 3.575 9.615 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -1.236 2.088 11.064 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.020 6.078 10.208 1.00 1.00 H new ATOM 0 HE1 TYR A 26 0.355 2.003 12.932 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.573 5.991 12.072 1.00 1.00 H new ATOM 0 HH TYR A 26 2.429 4.802 13.715 1.00 1.00 H new ATOM 503 N ASP A 27 1.235 3.642 7.984 1.00 1.00 N ATOM 504 CA ASP A 27 2.554 4.196 7.704 1.00 1.00 C ATOM 505 C ASP A 27 2.932 3.926 6.253 1.00 1.00 C ATOM 506 O ASP A 27 3.634 4.710 5.626 1.00 1.00 O ATOM 507 CB ASP A 27 3.607 3.610 8.645 1.00 1.00 C ATOM 508 CG ASP A 27 4.895 4.414 8.639 1.00 1.00 C ATOM 509 OD1 ASP A 27 4.993 5.380 9.424 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.812 4.087 7.858 1.00 1.00 O ATOM 0 H ASP A 27 1.247 2.732 8.445 1.00 1.00 H new ATOM 0 HA ASP A 27 2.517 5.273 7.870 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.207 3.576 9.658 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.821 2.582 8.352 1.00 1.00 H new ATOM 515 N ALA A 28 2.447 2.810 5.721 1.00 1.00 N ATOM 516 CA ALA A 28 2.621 2.501 4.309 1.00 1.00 C ATOM 517 C ALA A 28 1.883 3.529 3.460 1.00 1.00 C ATOM 518 O ALA A 28 2.405 4.014 2.457 1.00 1.00 O ATOM 519 CB ALA A 28 2.125 1.095 4.006 1.00 1.00 C ATOM 0 H ALA A 28 1.930 2.105 6.247 1.00 1.00 H new ATOM 0 HA ALA A 28 3.683 2.544 4.065 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.263 0.881 2.946 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.690 0.375 4.598 1.00 1.00 H new ATOM 0 HB3 ALA A 28 1.067 1.021 4.257 1.00 1.00 H new ATOM 525 N CYS A 29 0.667 3.867 3.883 1.00 1.00 N ATOM 526 CA CYS A 29 -0.098 4.937 3.251 1.00 1.00 C ATOM 527 C CYS A 29 0.664 6.254 3.375 1.00 1.00 C ATOM 528 O CYS A 29 0.727 7.054 2.438 1.00 1.00 O ATOM 529 CB CYS A 29 -1.475 5.060 3.911 1.00 1.00 C ATOM 530 SG CYS A 29 -2.429 3.524 3.920 1.00 1.00 S ATOM 0 H CYS A 29 0.190 3.414 4.663 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.237 4.703 2.196 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.345 5.400 4.938 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.048 5.828 3.391 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.889 2.683 4.752 1.00 1.00 H new ATOM 536 N ARG A 30 1.254 6.449 4.548 1.00 1.00 N ATOM 537 CA ARG A 30 2.105 7.597 4.824 1.00 1.00 C ATOM 538 C ARG A 30 3.271 7.651 3.835 1.00 1.00 C ATOM 539 O ARG A 30 3.607 8.716 3.317 1.00 1.00 O ATOM 540 CB ARG A 30 2.619 7.498 6.264 1.00 1.00 C ATOM 541 CG ARG A 30 3.676 8.516 6.643 1.00 1.00 C ATOM 542 CD ARG A 30 4.233 8.215 8.024 1.00 1.00 C ATOM 543 NE ARG A 30 5.287 9.146 8.416 1.00 1.00 N ATOM 544 CZ ARG A 30 6.235 8.861 9.310 1.00 1.00 C ATOM 545 NH1 ARG A 30 6.318 7.647 9.839 1.00 1.00 N ATOM 546 NH2 ARG A 30 7.121 9.786 9.657 1.00 1.00 N ATOM 0 H ARG A 30 1.154 5.811 5.338 1.00 1.00 H new ATOM 0 HA ARG A 30 1.529 8.515 4.708 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.773 7.606 6.943 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.027 6.499 6.419 1.00 1.00 H new ATOM 0 HG2 ARG A 30 4.481 8.503 5.909 1.00 1.00 H new ATOM 0 HG3 ARG A 30 3.247 9.518 6.628 1.00 1.00 H new ATOM 0 HD2 ARG A 30 3.426 8.256 8.755 1.00 1.00 H new ATOM 0 HD3 ARG A 30 4.626 7.198 8.040 1.00 1.00 H new ATOM 0 HE ARG A 30 5.299 10.068 7.981 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.654 6.924 9.563 1.00 1.00 H new ATOM 0 HH12 ARG A 30 7.046 7.437 10.522 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.077 10.716 9.240 1.00 1.00 H new ATOM 0 HH22 ARG A 30 7.846 9.567 10.341 1.00 1.00 H new ATOM 560 N MET A 31 3.862 6.491 3.562 1.00 1.00 N ATOM 561 CA MET A 31 4.994 6.394 2.645 1.00 1.00 C ATOM 562 C MET A 31 4.610 6.809 1.232 1.00 1.00 C ATOM 563 O MET A 31 5.404 7.433 0.532 1.00 1.00 O ATOM 564 CB MET A 31 5.568 4.975 2.621 1.00 1.00 C ATOM 565 CG MET A 31 6.315 4.593 3.886 1.00 1.00 C ATOM 566 SD MET A 31 7.076 2.962 3.778 1.00 1.00 S ATOM 567 CE MET A 31 7.934 2.892 5.349 1.00 1.00 C ATOM 0 H MET A 31 3.573 5.600 3.966 1.00 1.00 H new ATOM 0 HA MET A 31 5.756 7.080 3.014 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.754 4.267 2.463 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.242 4.881 1.770 1.00 1.00 H new ATOM 0 HG2 MET A 31 7.086 5.337 4.086 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.626 4.613 4.730 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.596 2.026 5.364 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.521 3.800 5.484 1.00 1.00 H new ATOM 0 HE3 MET A 31 7.207 2.807 6.157 1.00 1.00 H new ATOM 577 N ILE A 32 3.393 6.471 0.808 1.00 1.00 N ATOM 578 CA ILE A 32 2.946 6.827 -0.535 1.00 1.00 C ATOM 579 C ILE A 32 2.765 8.329 -0.637 1.00 1.00 C ATOM 580 O ILE A 32 3.172 8.936 -1.618 1.00 1.00 O ATOM 581 CB ILE A 32 1.626 6.146 -0.939 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.657 4.666 -0.595 1.00 1.00 C ATOM 583 CG2 ILE A 32 1.400 6.325 -2.434 1.00 1.00 C ATOM 584 CD1 ILE A 32 0.283 4.071 -0.574 1.00 1.00 C ATOM 0 H ILE A 32 2.709 5.959 1.366 1.00 1.00 H new ATOM 0 HA ILE A 32 3.720 6.476 -1.217 1.00 1.00 H new ATOM 0 HB ILE A 32 0.809 6.610 -0.387 1.00 1.00 H new ATOM 0 HG12 ILE A 32 2.271 4.136 -1.323 1.00 1.00 H new ATOM 0 HG13 ILE A 32 2.127 4.529 0.379 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.465 5.843 -2.721 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.347 7.388 -2.669 1.00 1.00 H new ATOM 0 HG23 ILE A 32 2.225 5.872 -2.984 1.00 1.00 H new ATOM 0 HD11 ILE A 32 0.349 3.012 -0.324 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -0.324 4.583 0.173 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -0.178 4.184 -1.555 1.00 1.00 H new ATOM 596 N ARG A 33 2.166 8.917 0.393 1.00 1.00 N ATOM 597 CA ARG A 33 2.021 10.365 0.483 1.00 1.00 C ATOM 598 C ARG A 33 3.378 11.045 0.371 1.00 1.00 C ATOM 599 O ARG A 33 3.504 12.123 -0.210 1.00 1.00 O ATOM 600 CB ARG A 33 1.376 10.746 1.814 1.00 1.00 C ATOM 601 CG ARG A 33 -0.120 10.497 1.883 1.00 1.00 C ATOM 602 CD ARG A 33 -0.664 10.820 3.265 1.00 1.00 C ATOM 603 NE ARG A 33 -0.075 12.048 3.810 1.00 1.00 N ATOM 604 CZ ARG A 33 -0.771 13.033 4.376 1.00 1.00 C ATOM 605 NH1 ARG A 33 -2.097 12.965 4.446 1.00 1.00 N ATOM 606 NH2 ARG A 33 -0.135 14.095 4.860 1.00 1.00 N ATOM 0 H ARG A 33 1.770 8.408 1.183 1.00 1.00 H new ATOM 0 HA ARG A 33 1.386 10.696 -0.339 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.862 10.185 2.612 1.00 1.00 H new ATOM 0 HB3 ARG A 33 1.565 11.802 2.006 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -0.628 11.107 1.137 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -0.330 9.455 1.640 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -1.747 10.929 3.213 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.459 9.989 3.939 1.00 1.00 H new ATOM 0 HE ARG A 33 0.938 12.155 3.752 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -2.587 12.155 4.065 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -2.624 13.722 4.881 1.00 1.00 H new ATOM 0 HH21 ARG A 33 0.881 14.153 4.797 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -0.663 14.852 5.294 1.00 1.00 H new ATOM 620 N GLU A 34 4.390 10.399 0.930 1.00 1.00 N ATOM 621 CA GLU A 34 5.740 10.934 0.925 1.00 1.00 C ATOM 622 C GLU A 34 6.423 10.706 -0.418 1.00 1.00 C ATOM 623 O GLU A 34 7.202 11.540 -0.879 1.00 1.00 O ATOM 624 CB GLU A 34 6.566 10.290 2.036 1.00 1.00 C ATOM 625 CG GLU A 34 6.079 10.630 3.432 1.00 1.00 C ATOM 626 CD GLU A 34 6.045 12.121 3.676 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.093 12.775 3.498 1.00 1.00 O ATOM 628 OE2 GLU A 34 4.971 12.641 4.055 1.00 1.00 O ATOM 0 H GLU A 34 4.299 9.496 1.396 1.00 1.00 H new ATOM 0 HA GLU A 34 5.672 12.008 1.097 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.549 9.208 1.908 1.00 1.00 H new ATOM 0 HB3 GLU A 34 7.604 10.607 1.935 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.081 10.217 3.578 1.00 1.00 H new ATOM 0 HG3 GLU A 34 6.730 10.158 4.167 1.00 1.00 H new ATOM 635 N ARG A 35 6.126 9.579 -1.049 1.00 1.00 N ATOM 636 CA ARG A 35 6.805 9.211 -2.284 1.00 1.00 C ATOM 637 C ARG A 35 6.113 9.827 -3.490 1.00 1.00 C ATOM 638 O ARG A 35 6.752 10.433 -4.350 1.00 1.00 O ATOM 639 CB ARG A 35 6.842 7.691 -2.437 1.00 1.00 C ATOM 640 CG ARG A 35 7.682 7.217 -3.611 1.00 1.00 C ATOM 641 CD ARG A 35 9.149 7.558 -3.413 1.00 1.00 C ATOM 642 NE ARG A 35 9.684 6.960 -2.192 1.00 1.00 N ATOM 643 CZ ARG A 35 10.957 7.048 -1.816 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.833 7.698 -2.572 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.353 6.475 -0.687 1.00 1.00 N ATOM 0 H ARG A 35 5.426 8.909 -0.730 1.00 1.00 H new ATOM 0 HA ARG A 35 7.824 9.594 -2.233 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.234 7.252 -1.520 1.00 1.00 H new ATOM 0 HB3 ARG A 35 5.824 7.322 -2.557 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.570 6.139 -3.730 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.320 7.678 -4.530 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.723 7.208 -4.271 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.268 8.641 -3.370 1.00 1.00 H new ATOM 0 HE ARG A 35 9.042 6.443 -1.591 1.00 1.00 H new ATOM 0 HH11 ARG A 35 11.531 8.132 -3.444 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.808 7.764 -2.281 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.682 5.968 -0.110 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.329 6.541 -0.396 1.00 1.00 H new ATOM 659 N ILE A 36 4.806 9.673 -3.534 1.00 1.00 N ATOM 660 CA ILE A 36 4.013 10.089 -4.671 1.00 1.00 C ATOM 661 C ILE A 36 3.053 11.196 -4.249 1.00 1.00 C ATOM 662 O ILE A 36 2.301 11.034 -3.288 1.00 1.00 O ATOM 663 CB ILE A 36 3.208 8.892 -5.231 1.00 1.00 C ATOM 664 CG1 ILE A 36 4.087 7.638 -5.274 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.677 9.208 -6.621 1.00 1.00 C ATOM 666 CD1 ILE A 36 3.328 6.374 -5.613 1.00 1.00 C ATOM 0 H ILE A 36 4.262 9.254 -2.779 1.00 1.00 H new ATOM 0 HA ILE A 36 4.681 10.461 -5.448 1.00 1.00 H new ATOM 0 HB ILE A 36 2.360 8.707 -4.571 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.878 7.785 -6.010 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.572 7.512 -4.306 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.114 8.354 -6.998 1.00 1.00 H new ATOM 0 HG22 ILE A 36 2.025 10.080 -6.572 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.511 9.416 -7.291 1.00 1.00 H new ATOM 0 HD11 ILE A 36 4.016 5.529 -5.625 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.555 6.202 -4.864 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.866 6.479 -6.594 1.00 1.00 H new ATOM 678 N PRO A 37 3.040 12.325 -4.968 1.00 1.00 N ATOM 679 CA PRO A 37 2.187 13.471 -4.624 1.00 1.00 C ATOM 680 C PRO A 37 0.734 13.166 -4.936 1.00 1.00 C ATOM 681 O PRO A 37 -0.185 13.842 -4.474 1.00 1.00 O ATOM 682 CB PRO A 37 2.699 14.556 -5.565 1.00 1.00 C ATOM 683 CG PRO A 37 3.085 13.778 -6.766 1.00 1.00 C ATOM 684 CD PRO A 37 3.803 12.580 -6.207 1.00 1.00 C ATOM 0 HA PRO A 37 2.228 13.740 -3.569 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.930 15.295 -5.789 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.546 15.096 -5.141 1.00 1.00 H new ATOM 0 HG2 PRO A 37 2.212 13.484 -7.349 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.730 14.357 -7.427 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.773 11.730 -6.889 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.853 12.790 -6.005 1.00 1.00 H new ATOM 692 N GLU A 38 0.552 12.122 -5.725 1.00 1.00 N ATOM 693 CA GLU A 38 -0.749 11.751 -6.224 1.00 1.00 C ATOM 694 C GLU A 38 -1.607 11.149 -5.111 1.00 1.00 C ATOM 695 O GLU A 38 -2.834 11.150 -5.193 1.00 1.00 O ATOM 696 CB GLU A 38 -0.599 10.763 -7.379 1.00 1.00 C ATOM 697 CG GLU A 38 0.262 11.295 -8.513 1.00 1.00 C ATOM 698 CD GLU A 38 0.411 10.309 -9.651 1.00 1.00 C ATOM 699 OE1 GLU A 38 1.299 9.438 -9.574 1.00 1.00 O ATOM 700 OE2 GLU A 38 -0.359 10.405 -10.631 1.00 1.00 O ATOM 0 H GLU A 38 1.307 11.510 -6.035 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.252 12.647 -6.588 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.162 9.838 -7.003 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -1.587 10.515 -7.767 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -0.176 12.218 -8.893 1.00 1.00 H new ATOM 0 HG3 GLU A 38 1.249 11.547 -8.126 1.00 1.00 H new ATOM 707 N ALA A 39 -0.950 10.630 -4.074 1.00 1.00 N ATOM 708 CA ALA A 39 -1.645 10.063 -2.926 1.00 1.00 C ATOM 709 C ALA A 39 -2.123 11.151 -1.969 1.00 1.00 C ATOM 710 O ALA A 39 -2.922 10.896 -1.069 1.00 1.00 O ATOM 711 CB ALA A 39 -0.728 9.097 -2.197 1.00 1.00 C ATOM 0 H ALA A 39 0.067 10.592 -4.009 1.00 1.00 H new ATOM 0 HA ALA A 39 -2.523 9.530 -3.291 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -1.252 8.675 -1.339 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -0.434 8.294 -2.873 1.00 1.00 H new ATOM 0 HB3 ALA A 39 0.161 9.627 -1.855 1.00 1.00 H new ATOM 717 N LEU A 40 -1.629 12.364 -2.170 1.00 1.00 N ATOM 718 CA LEU A 40 -1.963 13.478 -1.297 1.00 1.00 C ATOM 719 C LEU A 40 -3.329 14.050 -1.653 1.00 1.00 C ATOM 720 O LEU A 40 -3.596 14.378 -2.813 1.00 1.00 O ATOM 721 CB LEU A 40 -0.879 14.554 -1.387 1.00 1.00 C ATOM 722 CG LEU A 40 0.483 14.127 -0.839 1.00 1.00 C ATOM 723 CD1 LEU A 40 1.558 15.132 -1.206 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.413 13.961 0.670 1.00 1.00 C ATOM 0 H LEU A 40 -0.994 12.601 -2.932 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.011 13.118 -0.269 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.761 14.847 -2.430 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.215 15.437 -0.843 1.00 1.00 H new ATOM 0 HG LEU A 40 0.745 13.170 -1.290 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.516 14.803 -0.804 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.628 15.210 -2.291 1.00 1.00 H new ATOM 0 HD13 LEU A 40 1.304 16.106 -0.788 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.389 13.657 1.048 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.126 14.908 1.127 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.326 13.199 0.918 1.00 1.00 H new ATOM 736 N ALA A 41 -4.185 14.167 -0.646 1.00 1.00 N ATOM 737 CA ALA A 41 -5.560 14.612 -0.834 1.00 1.00 C ATOM 738 C ALA A 41 -6.237 14.832 0.512 1.00 1.00 C ATOM 739 O ALA A 41 -7.037 15.754 0.679 1.00 1.00 O ATOM 740 CB ALA A 41 -6.347 13.597 -1.655 1.00 1.00 C ATOM 0 H ALA A 41 -3.946 13.956 0.323 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.540 15.557 -1.376 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.371 13.948 -1.784 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.879 13.478 -2.632 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.355 12.638 -1.137 1.00 1.00 H new ATOM 746 N GLY A 42 -5.915 13.976 1.471 1.00 1.00 N ATOM 747 CA GLY A 42 -6.502 14.083 2.786 1.00 1.00 C ATOM 748 C GLY A 42 -5.819 13.176 3.785 1.00 1.00 C ATOM 749 O GLY A 42 -4.835 12.513 3.447 1.00 1.00 O ATOM 0 H GLY A 42 -5.255 13.207 1.359 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.437 15.115 3.130 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.561 13.831 2.732 1.00 1.00 H new ATOM 753 N PRO A 43 -6.323 13.124 5.024 1.00 1.00 N ATOM 754 CA PRO A 43 -5.741 12.307 6.089 1.00 1.00 C ATOM 755 C PRO A 43 -5.802 10.832 5.788 1.00 1.00 C ATOM 756 O PRO A 43 -6.752 10.340 5.174 1.00 1.00 O ATOM 757 CB PRO A 43 -6.583 12.645 7.327 1.00 1.00 C ATOM 758 CG PRO A 43 -7.306 13.900 6.978 1.00 1.00 C ATOM 759 CD PRO A 43 -7.503 13.861 5.492 1.00 1.00 C ATOM 0 HA PRO A 43 -4.680 12.522 6.219 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -7.281 11.841 7.560 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -5.953 12.785 8.205 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -8.263 13.957 7.497 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -6.730 14.777 7.273 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -8.429 13.355 5.220 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -7.550 14.862 5.064 1.00 1.00 H new ATOM 767 N PRO A 44 -4.780 10.104 6.243 1.00 1.00 N ATOM 768 CA PRO A 44 -4.614 8.704 5.910 1.00 1.00 C ATOM 769 C PRO A 44 -5.690 7.816 6.529 1.00 1.00 C ATOM 770 O PRO A 44 -5.727 6.613 6.288 1.00 1.00 O ATOM 771 CB PRO A 44 -3.227 8.342 6.462 1.00 1.00 C ATOM 772 CG PRO A 44 -2.578 9.644 6.794 1.00 1.00 C ATOM 773 CD PRO A 44 -3.696 10.590 7.109 1.00 1.00 C ATOM 0 HA PRO A 44 -4.704 8.543 4.836 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.309 7.708 7.345 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.644 7.789 5.726 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -1.904 9.539 7.644 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.982 10.008 5.957 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -3.972 10.555 8.163 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -3.429 11.623 6.884 1.00 1.00 H new ATOM 781 N ASN A 45 -6.552 8.416 7.341 1.00 1.00 N ATOM 782 CA ASN A 45 -7.635 7.686 7.983 1.00 1.00 C ATOM 783 C ASN A 45 -8.894 7.726 7.121 1.00 1.00 C ATOM 784 O ASN A 45 -9.795 6.902 7.280 1.00 1.00 O ATOM 785 CB ASN A 45 -7.936 8.256 9.375 1.00 1.00 C ATOM 786 CG ASN A 45 -6.768 8.136 10.344 1.00 1.00 C ATOM 787 OD1 ASN A 45 -5.601 8.231 9.960 1.00 1.00 O ATOM 788 ND2 ASN A 45 -7.077 7.917 11.612 1.00 1.00 N ATOM 0 H ASN A 45 -6.521 9.409 7.570 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.316 6.650 8.096 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -8.211 9.306 9.278 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -8.799 7.738 9.793 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.337 7.821 12.308 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -8.055 7.844 11.893 1.00 1.00 H new ATOM 795 N ASP A 46 -8.963 8.700 6.216 1.00 1.00 N ATOM 796 CA ASP A 46 -10.075 8.795 5.272 1.00 1.00 C ATOM 797 C ASP A 46 -9.791 7.916 4.066 1.00 1.00 C ATOM 798 O ASP A 46 -10.694 7.526 3.324 1.00 1.00 O ATOM 799 CB ASP A 46 -10.298 10.241 4.813 1.00 1.00 C ATOM 800 CG ASP A 46 -10.884 11.122 5.896 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.127 11.147 6.040 1.00 1.00 O ATOM 802 OD2 ASP A 46 -10.112 11.801 6.601 1.00 1.00 O ATOM 0 H ASP A 46 -8.262 9.435 6.116 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.980 8.457 5.777 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.348 10.662 4.484 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.964 10.244 3.950 1.00 1.00 H new ATOM 807 N PHE A 47 -8.519 7.616 3.882 1.00 1.00 N ATOM 808 CA PHE A 47 -8.078 6.739 2.815 1.00 1.00 C ATOM 809 C PHE A 47 -7.558 5.443 3.417 1.00 1.00 C ATOM 810 O PHE A 47 -7.583 5.268 4.633 1.00 1.00 O ATOM 811 CB PHE A 47 -6.979 7.417 1.989 1.00 1.00 C ATOM 812 CG PHE A 47 -7.413 8.699 1.335 1.00 1.00 C ATOM 813 CD1 PHE A 47 -7.354 9.900 2.023 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.879 8.702 0.032 1.00 1.00 C ATOM 815 CE1 PHE A 47 -7.754 11.077 1.424 1.00 1.00 C ATOM 816 CE2 PHE A 47 -8.280 9.877 -0.573 1.00 1.00 C ATOM 817 CZ PHE A 47 -8.219 11.066 0.125 1.00 1.00 C ATOM 0 H PHE A 47 -7.764 7.973 4.467 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.918 6.522 2.155 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.126 7.621 2.636 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.637 6.725 1.219 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -6.991 9.915 3.040 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -7.930 7.774 -0.519 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -7.703 12.006 1.972 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -8.641 9.865 -1.591 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.535 11.986 -0.345 1.00 1.00 H new ATOM 827 N GLY A 48 -7.110 4.531 2.579 1.00 1.00 N ATOM 828 CA GLY A 48 -6.523 3.311 3.080 1.00 1.00 C ATOM 829 C GLY A 48 -6.013 2.426 1.972 1.00 1.00 C ATOM 830 O GLY A 48 -6.267 2.688 0.792 1.00 1.00 O ATOM 0 H GLY A 48 -7.141 4.611 1.563 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.702 3.555 3.754 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.265 2.767 3.665 1.00 1.00 H new ATOM 834 N LEU A 49 -5.286 1.388 2.346 1.00 1.00 N ATOM 835 CA LEU A 49 -4.800 0.418 1.385 1.00 1.00 C ATOM 836 C LEU A 49 -5.859 -0.640 1.136 1.00 1.00 C ATOM 837 O LEU A 49 -6.417 -1.213 2.076 1.00 1.00 O ATOM 838 CB LEU A 49 -3.508 -0.240 1.876 1.00 1.00 C ATOM 839 CG LEU A 49 -2.299 0.689 1.978 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.087 -0.079 2.477 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.006 1.333 0.632 1.00 1.00 C ATOM 0 H LEU A 49 -5.019 1.196 3.312 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.585 0.939 0.452 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.693 -0.678 2.857 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.259 -1.060 1.203 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.527 1.480 2.693 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.232 0.594 2.545 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.300 -0.496 3.461 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -0.857 -0.887 1.783 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.142 1.991 0.724 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.795 0.557 -0.104 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.871 1.913 0.310 1.00 1.00 H new ATOM 853 N PHE A 50 -6.139 -0.884 -0.126 1.00 1.00 N ATOM 854 CA PHE A 50 -7.123 -1.874 -0.512 1.00 1.00 C ATOM 855 C PHE A 50 -6.462 -2.949 -1.357 1.00 1.00 C ATOM 856 O PHE A 50 -5.998 -2.679 -2.465 1.00 1.00 O ATOM 857 CB PHE A 50 -8.265 -1.206 -1.282 1.00 1.00 C ATOM 858 CG PHE A 50 -9.347 -2.154 -1.719 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.280 -2.622 -0.813 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.429 -2.569 -3.036 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.280 -3.487 -1.212 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.425 -3.434 -3.440 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.352 -3.894 -2.528 1.00 1.00 C ATOM 0 H PHE A 50 -5.695 -0.406 -0.910 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.539 -2.339 0.382 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.707 -0.431 -0.656 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.855 -0.710 -2.161 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.226 -2.308 0.219 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.706 -2.212 -3.755 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.004 -3.844 -0.495 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.479 -3.751 -4.471 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.132 -4.571 -2.843 1.00 1.00 H new ATOM 873 N LEU A 51 -6.392 -4.155 -0.820 1.00 1.00 N ATOM 874 CA LEU A 51 -5.817 -5.272 -1.547 1.00 1.00 C ATOM 875 C LEU A 51 -6.766 -5.672 -2.670 1.00 1.00 C ATOM 876 O LEU A 51 -7.793 -6.303 -2.422 1.00 1.00 O ATOM 877 CB LEU A 51 -5.571 -6.455 -0.606 1.00 1.00 C ATOM 878 CG LEU A 51 -4.798 -7.623 -1.218 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.390 -7.187 -1.590 1.00 1.00 C ATOM 880 CD2 LEU A 51 -4.754 -8.801 -0.259 1.00 1.00 C ATOM 0 H LEU A 51 -6.726 -4.385 0.116 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.857 -4.975 -1.970 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.026 -6.097 0.267 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.534 -6.823 -0.252 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.315 -7.940 -2.123 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -2.851 -8.029 -2.025 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -3.440 -6.375 -2.315 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -2.867 -6.844 -0.697 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.199 -9.621 -0.715 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.261 -8.499 0.665 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.770 -9.129 -0.039 1.00 1.00 H new ATOM 892 N SER A 52 -6.431 -5.279 -3.891 1.00 1.00 N ATOM 893 CA SER A 52 -7.328 -5.459 -5.023 1.00 1.00 C ATOM 894 C SER A 52 -7.497 -6.930 -5.392 1.00 1.00 C ATOM 895 O SER A 52 -6.561 -7.728 -5.281 1.00 1.00 O ATOM 896 CB SER A 52 -6.821 -4.662 -6.226 1.00 1.00 C ATOM 897 OG SER A 52 -5.442 -4.902 -6.470 1.00 1.00 O ATOM 0 H SER A 52 -5.543 -4.833 -4.123 1.00 1.00 H new ATOM 0 HA SER A 52 -8.309 -5.085 -4.729 1.00 1.00 H new ATOM 0 HB2 SER A 52 -7.399 -4.930 -7.110 1.00 1.00 H new ATOM 0 HB3 SER A 52 -6.980 -3.598 -6.051 1.00 1.00 H new ATOM 0 HG SER A 52 -5.151 -4.379 -7.246 1.00 1.00 H new ATOM 903 N ASP A 53 -8.702 -7.272 -5.812 1.00 1.00 N ATOM 904 CA ASP A 53 -9.018 -8.618 -6.262 1.00 1.00 C ATOM 905 C ASP A 53 -9.974 -8.515 -7.452 1.00 1.00 C ATOM 906 O ASP A 53 -10.200 -7.416 -7.969 1.00 1.00 O ATOM 907 CB ASP A 53 -9.655 -9.415 -5.111 1.00 1.00 C ATOM 908 CG ASP A 53 -9.695 -10.912 -5.362 1.00 1.00 C ATOM 909 OD1 ASP A 53 -10.687 -11.394 -5.944 1.00 1.00 O ATOM 910 OD2 ASP A 53 -8.739 -11.613 -4.970 1.00 1.00 O ATOM 0 H ASP A 53 -9.490 -6.625 -5.851 1.00 1.00 H new ATOM 0 HA ASP A 53 -8.113 -9.141 -6.570 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.098 -9.223 -4.194 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -10.671 -9.054 -4.948 1.00 1.00 H new ATOM 915 N ASP A 54 -10.529 -9.631 -7.890 1.00 1.00 N ATOM 916 CA ASP A 54 -11.513 -9.625 -8.963 1.00 1.00 C ATOM 917 C ASP A 54 -12.807 -8.995 -8.481 1.00 1.00 C ATOM 918 O ASP A 54 -13.471 -8.265 -9.215 1.00 1.00 O ATOM 919 CB ASP A 54 -11.785 -11.046 -9.459 1.00 1.00 C ATOM 920 CG ASP A 54 -13.029 -11.131 -10.324 1.00 1.00 C ATOM 921 OD1 ASP A 54 -12.977 -10.717 -11.501 1.00 1.00 O ATOM 922 OD2 ASP A 54 -14.069 -11.610 -9.829 1.00 1.00 O ATOM 0 H ASP A 54 -10.316 -10.557 -7.519 1.00 1.00 H new ATOM 0 HA ASP A 54 -11.112 -9.039 -9.790 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.925 -11.399 -10.029 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -11.895 -11.711 -8.603 1.00 1.00 H new ATOM 927 N ASP A 55 -13.146 -9.262 -7.231 1.00 1.00 N ATOM 928 CA ASP A 55 -14.396 -8.784 -6.666 1.00 1.00 C ATOM 929 C ASP A 55 -14.134 -7.989 -5.390 1.00 1.00 C ATOM 930 O ASP A 55 -13.327 -8.400 -4.558 1.00 1.00 O ATOM 931 CB ASP A 55 -15.315 -9.969 -6.374 1.00 1.00 C ATOM 932 CG ASP A 55 -16.729 -9.541 -6.062 1.00 1.00 C ATOM 933 OD1 ASP A 55 -17.026 -9.274 -4.881 1.00 1.00 O ATOM 934 OD2 ASP A 55 -17.551 -9.469 -6.998 1.00 1.00 O ATOM 0 H ASP A 55 -12.572 -9.808 -6.588 1.00 1.00 H new ATOM 0 HA ASP A 55 -14.882 -8.126 -7.386 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -15.323 -10.639 -7.234 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -14.916 -10.535 -5.532 1.00 1.00 H new ATOM 939 N PRO A 56 -14.816 -6.840 -5.219 1.00 1.00 N ATOM 940 CA PRO A 56 -14.622 -5.952 -4.059 1.00 1.00 C ATOM 941 C PRO A 56 -14.983 -6.606 -2.722 1.00 1.00 C ATOM 942 O PRO A 56 -14.643 -6.086 -1.658 1.00 1.00 O ATOM 943 CB PRO A 56 -15.559 -4.772 -4.344 1.00 1.00 C ATOM 944 CG PRO A 56 -16.554 -5.295 -5.319 1.00 1.00 C ATOM 945 CD PRO A 56 -15.820 -6.302 -6.153 1.00 1.00 C ATOM 0 HA PRO A 56 -13.574 -5.673 -3.952 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -16.045 -4.425 -3.432 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -15.012 -3.924 -4.756 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -17.400 -5.754 -4.806 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -16.954 -4.492 -5.938 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -16.486 -7.082 -6.522 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -15.354 -5.841 -7.024 1.00 1.00 H new ATOM 953 N LYS A 57 -15.683 -7.733 -2.775 1.00 1.00 N ATOM 954 CA LYS A 57 -16.000 -8.486 -1.568 1.00 1.00 C ATOM 955 C LYS A 57 -14.784 -9.290 -1.121 1.00 1.00 C ATOM 956 O LYS A 57 -14.574 -9.529 0.070 1.00 1.00 O ATOM 957 CB LYS A 57 -17.182 -9.421 -1.825 1.00 1.00 C ATOM 958 CG LYS A 57 -17.609 -10.227 -0.608 1.00 1.00 C ATOM 959 CD LYS A 57 -18.607 -11.310 -0.986 1.00 1.00 C ATOM 960 CE LYS A 57 -19.876 -10.726 -1.587 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.782 -11.789 -2.093 1.00 1.00 N ATOM 0 H LYS A 57 -16.041 -8.144 -3.637 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.272 -7.786 -0.778 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -18.030 -8.831 -2.173 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.920 -10.108 -2.630 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -16.733 -10.682 -0.145 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -18.053 -9.563 0.133 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -18.148 -11.993 -1.700 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.860 -11.895 -0.102 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -20.395 -10.132 -0.835 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.616 -10.051 -2.402 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.637 -11.354 -2.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -20.294 -12.340 -2.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -21.050 -12.419 -1.310 1.00 1.00 H new ATOM 975 N LYS A 58 -13.979 -9.700 -2.090 1.00 1.00 N ATOM 976 CA LYS A 58 -12.777 -10.472 -1.814 1.00 1.00 C ATOM 977 C LYS A 58 -11.595 -9.539 -1.601 1.00 1.00 C ATOM 978 O LYS A 58 -10.604 -9.905 -0.965 1.00 1.00 O ATOM 979 CB LYS A 58 -12.510 -11.453 -2.957 1.00 1.00 C ATOM 980 CG LYS A 58 -13.647 -12.439 -3.161 1.00 1.00 C ATOM 981 CD LYS A 58 -13.414 -13.344 -4.356 1.00 1.00 C ATOM 982 CE LYS A 58 -14.609 -14.253 -4.594 1.00 1.00 C ATOM 983 NZ LYS A 58 -14.432 -15.112 -5.793 1.00 1.00 N ATOM 0 H LYS A 58 -14.138 -9.510 -3.079 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.921 -11.049 -0.900 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -12.349 -10.895 -3.879 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -11.591 -12.002 -2.752 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -13.763 -13.047 -2.264 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -14.580 -11.892 -3.298 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -13.230 -12.739 -5.244 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -12.521 -13.947 -4.191 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -14.764 -14.883 -3.718 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -15.507 -13.646 -4.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -15.271 -15.714 -5.915 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -14.310 -14.513 -6.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -13.591 -15.711 -5.670 1.00 1.00 H new ATOM 997 N GLY A 59 -11.709 -8.331 -2.139 1.00 1.00 N ATOM 998 CA GLY A 59 -10.744 -7.295 -1.845 1.00 1.00 C ATOM 999 C GLY A 59 -10.874 -6.835 -0.410 1.00 1.00 C ATOM 1000 O GLY A 59 -11.983 -6.581 0.069 1.00 1.00 O ATOM 0 H GLY A 59 -12.456 -8.052 -2.775 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.736 -7.669 -2.022 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.893 -6.451 -2.518 1.00 1.00 H new ATOM 1004 N ILE A 60 -9.757 -6.731 0.287 1.00 1.00 N ATOM 1005 CA ILE A 60 -9.793 -6.430 1.709 1.00 1.00 C ATOM 1006 C ILE A 60 -9.120 -5.103 2.033 1.00 1.00 C ATOM 1007 O ILE A 60 -8.070 -4.765 1.479 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.154 -7.561 2.545 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -7.744 -7.881 2.038 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.035 -8.803 2.512 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.057 -8.993 2.802 1.00 1.00 C ATOM 0 H ILE A 60 -8.822 -6.849 -0.102 1.00 1.00 H new ATOM 0 HA ILE A 60 -10.846 -6.349 1.977 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.071 -7.223 3.578 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -7.801 -8.158 0.985 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.133 -6.980 2.098 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -9.573 -9.592 3.105 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.015 -8.565 2.925 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.148 -9.142 1.482 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.064 -9.162 2.385 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -6.967 -8.712 3.851 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.645 -9.907 2.721 1.00 1.00 H new ATOM 1023 N TRP A 61 -9.756 -4.347 2.919 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.204 -3.091 3.406 1.00 1.00 C ATOM 1025 C TRP A 61 -8.248 -3.344 4.564 1.00 1.00 C ATOM 1026 O TRP A 61 -8.629 -3.933 5.576 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.322 -2.155 3.865 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.079 -1.524 2.744 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.261 -1.951 2.221 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.710 -0.352 2.012 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.658 -1.109 1.208 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.721 -0.120 1.059 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.625 0.527 2.071 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.675 0.955 0.176 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.583 1.590 1.190 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.600 1.795 0.259 1.00 1.00 C ATOM 0 H TRP A 61 -10.664 -4.586 3.318 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.660 -2.621 2.587 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.017 -2.715 4.491 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.893 -1.370 4.488 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -12.807 -2.822 2.552 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.511 -1.205 0.657 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.835 0.378 2.792 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.460 1.119 -0.548 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.748 2.274 1.223 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.537 2.638 -0.413 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.011 -2.902 4.406 1.00 1.00 N ATOM 1048 CA LEU A 62 -5.996 -3.086 5.427 1.00 1.00 C ATOM 1049 C LEU A 62 -6.210 -2.128 6.599 1.00 1.00 C ATOM 1050 O LEU A 62 -6.443 -0.932 6.406 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.599 -2.884 4.832 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.110 -3.984 3.881 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -4.830 -3.934 2.543 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.610 -3.873 3.677 1.00 1.00 C ATOM 0 H LEU A 62 -6.685 -2.410 3.574 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.080 -4.106 5.802 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.588 -1.935 4.295 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -3.886 -2.795 5.651 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.339 -4.945 4.342 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.455 -4.729 1.898 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.900 -4.069 2.700 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.652 -2.968 2.070 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.276 -4.659 3.000 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.372 -2.900 3.248 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.103 -3.980 4.636 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.138 -2.670 7.809 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.298 -1.882 9.024 1.00 1.00 C ATOM 1068 C GLU A 63 -5.008 -1.148 9.361 1.00 1.00 C ATOM 1069 O GLU A 63 -3.925 -1.721 9.270 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.669 -2.783 10.201 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.936 -3.593 9.998 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.204 -4.529 11.157 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.780 -4.077 12.168 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -7.818 -5.716 11.077 1.00 1.00 O ATOM 0 H GLU A 63 -5.968 -3.662 7.975 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.095 -1.159 8.848 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.842 -3.467 10.393 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.786 -2.166 11.092 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.782 -2.917 9.875 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.853 -4.171 9.077 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.132 0.108 9.773 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.977 0.912 10.161 1.00 1.00 C ATOM 1083 C ALA A 64 -3.188 0.243 11.283 1.00 1.00 C ATOM 1084 O ALA A 64 -1.961 0.314 11.317 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.431 2.298 10.595 1.00 1.00 C ATOM 0 H ALA A 64 -6.025 0.595 9.848 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.320 1.002 9.296 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.563 2.892 10.883 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -4.947 2.787 9.769 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.108 2.210 11.445 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.900 -0.426 12.183 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.260 -1.059 13.322 1.00 1.00 C ATOM 1093 C GLY A 65 -2.606 -2.385 12.981 1.00 1.00 C ATOM 1094 O GLY A 65 -2.110 -3.084 13.866 1.00 1.00 O ATOM 0 H GLY A 65 -4.913 -0.542 12.144 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.507 -0.384 13.729 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -4.002 -1.218 14.105 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.595 -2.737 11.704 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.990 -3.985 11.266 1.00 1.00 C ATOM 1100 C LYS A 66 -0.781 -3.702 10.377 1.00 1.00 C ATOM 1101 O LYS A 66 -0.567 -2.565 9.947 1.00 1.00 O ATOM 1102 CB LYS A 66 -3.020 -4.841 10.522 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.256 -5.159 11.353 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.912 -6.000 12.573 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.044 -6.006 13.590 1.00 1.00 C ATOM 1106 NZ LYS A 66 -6.296 -6.605 13.053 1.00 1.00 N ATOM 0 H LYS A 66 -2.998 -2.176 10.954 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.651 -4.539 12.142 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.326 -4.321 9.614 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.550 -5.774 10.212 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.729 -4.230 11.673 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.982 -5.690 10.737 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.697 -7.022 12.261 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.006 -5.612 13.039 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.730 -6.562 14.473 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.244 -4.984 13.911 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -7.048 -6.538 13.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -6.587 -6.092 12.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -6.130 -7.605 12.819 1.00 1.00 H new ATOM 1120 N ALA A 67 0.013 -4.732 10.124 1.00 1.00 N ATOM 1121 CA ALA A 67 1.201 -4.596 9.295 1.00 1.00 C ATOM 1122 C ALA A 67 0.977 -5.181 7.905 1.00 1.00 C ATOM 1123 O ALA A 67 -0.032 -5.837 7.650 1.00 1.00 O ATOM 1124 CB ALA A 67 2.390 -5.262 9.966 1.00 1.00 C ATOM 0 H ALA A 67 -0.145 -5.674 10.482 1.00 1.00 H new ATOM 0 HA ALA A 67 1.411 -3.533 9.179 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.272 -5.153 9.335 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.574 -4.791 10.932 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.178 -6.321 10.114 1.00 1.00 H new ATOM 1130 N LEU A 68 1.937 -4.953 7.018 1.00 1.00 N ATOM 1131 CA LEU A 68 1.829 -5.383 5.627 1.00 1.00 C ATOM 1132 C LEU A 68 1.922 -6.901 5.481 1.00 1.00 C ATOM 1133 O LEU A 68 1.076 -7.521 4.835 1.00 1.00 O ATOM 1134 CB LEU A 68 2.919 -4.716 4.793 1.00 1.00 C ATOM 1135 CG LEU A 68 2.825 -3.193 4.709 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.922 -2.651 3.817 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.458 -2.763 4.195 1.00 1.00 C ATOM 0 H LEU A 68 2.807 -4.468 7.239 1.00 1.00 H new ATOM 0 HA LEU A 68 0.846 -5.080 5.267 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.890 -4.983 5.211 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.884 -5.124 3.783 1.00 1.00 H new ATOM 0 HG LEU A 68 2.954 -2.784 5.711 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.845 -1.565 3.765 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.894 -2.927 4.227 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.818 -3.071 2.816 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.414 -1.675 4.144 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.295 -3.180 3.201 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.684 -3.126 4.872 1.00 1.00 H new ATOM 1149 N ASP A 69 2.947 -7.497 6.083 1.00 1.00 N ATOM 1150 CA ASP A 69 3.159 -8.945 5.986 1.00 1.00 C ATOM 1151 C ASP A 69 1.973 -9.709 6.568 1.00 1.00 C ATOM 1152 O ASP A 69 1.711 -10.856 6.203 1.00 1.00 O ATOM 1153 CB ASP A 69 4.448 -9.346 6.706 1.00 1.00 C ATOM 1154 CG ASP A 69 4.673 -10.846 6.716 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.152 -11.392 5.700 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.379 -11.487 7.745 1.00 1.00 O ATOM 0 H ASP A 69 3.644 -7.005 6.642 1.00 1.00 H new ATOM 0 HA ASP A 69 3.250 -9.203 4.931 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.295 -8.859 6.223 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.414 -8.981 7.733 1.00 1.00 H new ATOM 1161 N TYR A 70 1.240 -9.042 7.449 1.00 1.00 N ATOM 1162 CA TYR A 70 0.066 -9.618 8.094 1.00 1.00 C ATOM 1163 C TYR A 70 -1.020 -9.938 7.069 1.00 1.00 C ATOM 1164 O TYR A 70 -1.852 -10.820 7.278 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.477 -8.624 9.118 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.508 -9.206 10.053 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -1.151 -10.163 10.993 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.833 -8.793 10.006 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -2.085 -10.694 11.858 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -3.774 -9.321 10.868 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.393 -10.271 11.791 1.00 1.00 C ATOM 1172 OH TYR A 70 -4.326 -10.800 12.652 1.00 1.00 O ATOM 0 H TYR A 70 1.442 -8.085 7.738 1.00 1.00 H new ATOM 0 HA TYR A 70 0.356 -10.547 8.586 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.354 -8.235 9.707 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.917 -7.778 8.590 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -0.125 -10.497 11.048 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.132 -8.047 9.284 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -1.791 -11.438 12.584 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -4.801 -8.992 10.819 1.00 1.00 H new ATOM 0 HH TYR A 70 -5.201 -10.395 12.475 1.00 1.00 H new ATOM 1182 N TYR A 71 -1.002 -9.214 5.961 1.00 1.00 N ATOM 1183 CA TYR A 71 -2.015 -9.362 4.931 1.00 1.00 C ATOM 1184 C TYR A 71 -1.507 -10.196 3.763 1.00 1.00 C ATOM 1185 O TYR A 71 -2.208 -10.379 2.768 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.461 -7.983 4.452 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.395 -7.297 5.416 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.764 -7.510 5.349 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.909 -6.445 6.397 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.625 -6.891 6.232 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.763 -5.824 7.285 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.119 -6.051 7.198 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.973 -5.438 8.080 1.00 1.00 O ATOM 0 H TYR A 71 -0.291 -8.513 5.752 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.867 -9.890 5.360 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.582 -7.356 4.298 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.955 -8.083 3.485 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.162 -8.171 4.594 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.846 -6.265 6.467 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.689 -7.064 6.166 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.371 -5.164 8.044 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.094 -6.008 8.868 1.00 1.00 H new ATOM 1203 N MET A 72 -0.285 -10.705 3.901 1.00 1.00 N ATOM 1204 CA MET A 72 0.332 -11.564 2.888 1.00 1.00 C ATOM 1205 C MET A 72 0.378 -10.892 1.519 1.00 1.00 C ATOM 1206 O MET A 72 0.233 -11.552 0.491 1.00 1.00 O ATOM 1207 CB MET A 72 -0.409 -12.899 2.783 1.00 1.00 C ATOM 1208 CG MET A 72 -0.227 -13.795 3.994 1.00 1.00 C ATOM 1209 SD MET A 72 -1.027 -15.400 3.795 1.00 1.00 S ATOM 1210 CE MET A 72 -2.740 -14.902 3.640 1.00 1.00 C ATOM 0 H MET A 72 0.306 -10.535 4.715 1.00 1.00 H new ATOM 0 HA MET A 72 1.358 -11.745 3.209 1.00 1.00 H new ATOM 0 HB2 MET A 72 -1.472 -12.704 2.643 1.00 1.00 H new ATOM 0 HB3 MET A 72 -0.062 -13.428 1.895 1.00 1.00 H new ATOM 0 HG2 MET A 72 0.838 -13.944 4.175 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.633 -13.297 4.874 1.00 1.00 H new ATOM 0 HE1 MET A 72 -3.387 -15.759 3.830 1.00 1.00 H new ATOM 0 HE2 MET A 72 -2.957 -14.116 4.363 1.00 1.00 H new ATOM 0 HE3 MET A 72 -2.920 -14.528 2.632 1.00 1.00 H new ATOM 1220 N LEU A 73 0.579 -9.585 1.506 1.00 1.00 N ATOM 1221 CA LEU A 73 0.779 -8.871 0.256 1.00 1.00 C ATOM 1222 C LEU A 73 2.201 -9.121 -0.242 1.00 1.00 C ATOM 1223 O LEU A 73 3.130 -9.263 0.556 1.00 1.00 O ATOM 1224 CB LEU A 73 0.462 -7.380 0.427 1.00 1.00 C ATOM 1225 CG LEU A 73 1.026 -6.710 1.682 1.00 1.00 C ATOM 1226 CD1 LEU A 73 2.414 -6.157 1.427 1.00 1.00 C ATOM 1227 CD2 LEU A 73 0.092 -5.610 2.157 1.00 1.00 C ATOM 0 H LEU A 73 0.608 -9.000 2.341 1.00 1.00 H new ATOM 0 HA LEU A 73 0.090 -9.243 -0.502 1.00 1.00 H new ATOM 0 HB2 LEU A 73 0.840 -6.847 -0.445 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -0.621 -7.258 0.431 1.00 1.00 H new ATOM 0 HG LEU A 73 1.104 -7.464 2.465 1.00 1.00 H new ATOM 0 HD11 LEU A 73 2.791 -5.687 2.335 1.00 1.00 H new ATOM 0 HD12 LEU A 73 3.081 -6.968 1.135 1.00 1.00 H new ATOM 0 HD13 LEU A 73 2.370 -5.418 0.627 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.506 -5.142 3.050 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.017 -4.861 1.372 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.884 -6.036 2.389 1.00 1.00 H new ATOM 1239 N ARG A 74 2.366 -9.205 -1.554 1.00 1.00 N ATOM 1240 CA ARG A 74 3.593 -9.748 -2.132 1.00 1.00 C ATOM 1241 C ARG A 74 4.148 -8.829 -3.211 1.00 1.00 C ATOM 1242 O ARG A 74 3.419 -8.016 -3.772 1.00 1.00 O ATOM 1243 CB ARG A 74 3.286 -11.129 -2.722 1.00 1.00 C ATOM 1244 CG ARG A 74 2.482 -12.002 -1.772 1.00 1.00 C ATOM 1245 CD ARG A 74 1.725 -13.103 -2.492 1.00 1.00 C ATOM 1246 NE ARG A 74 0.507 -13.468 -1.763 1.00 1.00 N ATOM 1247 CZ ARG A 74 0.186 -14.708 -1.403 1.00 1.00 C ATOM 1248 NH1 ARG A 74 0.965 -15.725 -1.747 1.00 1.00 N ATOM 1249 NH2 ARG A 74 -0.935 -14.929 -0.723 1.00 1.00 N ATOM 0 H ARG A 74 1.671 -8.906 -2.238 1.00 1.00 H new ATOM 0 HA ARG A 74 4.349 -9.831 -1.351 1.00 1.00 H new ATOM 0 HB2 ARG A 74 2.734 -11.008 -3.654 1.00 1.00 H new ATOM 0 HB3 ARG A 74 4.221 -11.631 -2.968 1.00 1.00 H new ATOM 0 HG2 ARG A 74 3.153 -12.448 -1.038 1.00 1.00 H new ATOM 0 HG3 ARG A 74 1.776 -11.380 -1.222 1.00 1.00 H new ATOM 0 HD2 ARG A 74 1.466 -12.773 -3.498 1.00 1.00 H new ATOM 0 HD3 ARG A 74 2.365 -13.979 -2.599 1.00 1.00 H new ATOM 0 HE ARG A 74 -0.140 -12.719 -1.514 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.813 -15.558 -2.289 1.00 1.00 H new ATOM 0 HH12 ARG A 74 0.716 -16.675 -1.470 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -1.546 -14.149 -0.479 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -1.184 -15.878 -0.445 1.00 1.00 H new ATOM 1263 N ASN A 75 5.441 -8.950 -3.492 1.00 1.00 N ATOM 1264 CA ASN A 75 6.056 -8.174 -4.564 1.00 1.00 C ATOM 1265 C ASN A 75 5.415 -8.547 -5.900 1.00 1.00 C ATOM 1266 O ASN A 75 5.265 -9.725 -6.226 1.00 1.00 O ATOM 1267 CB ASN A 75 7.580 -8.390 -4.605 1.00 1.00 C ATOM 1268 CG ASN A 75 7.988 -9.732 -5.183 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.049 -10.735 -4.471 1.00 1.00 O ATOM 1270 ND2 ASN A 75 8.294 -9.755 -6.474 1.00 1.00 N ATOM 0 H ASN A 75 6.080 -9.573 -2.997 1.00 1.00 H new ATOM 0 HA ASN A 75 5.884 -7.115 -4.372 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.035 -7.596 -5.196 1.00 1.00 H new ATOM 0 HB3 ASN A 75 7.978 -8.303 -3.594 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.593 -10.626 -6.912 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.230 -8.901 -7.029 1.00 1.00 H new ATOM 1277 N GLY A 76 4.997 -7.541 -6.649 1.00 1.00 N ATOM 1278 CA GLY A 76 4.307 -7.786 -7.896 1.00 1.00 C ATOM 1279 C GLY A 76 2.811 -7.624 -7.751 1.00 1.00 C ATOM 1280 O GLY A 76 2.090 -7.473 -8.736 1.00 1.00 O ATOM 0 H GLY A 76 5.124 -6.556 -6.415 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.675 -7.097 -8.657 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.531 -8.794 -8.244 1.00 1.00 H new ATOM 1284 N ASP A 77 2.353 -7.650 -6.511 1.00 1.00 N ATOM 1285 CA ASP A 77 0.937 -7.532 -6.207 1.00 1.00 C ATOM 1286 C ASP A 77 0.506 -6.079 -6.263 1.00 1.00 C ATOM 1287 O ASP A 77 1.331 -5.167 -6.271 1.00 1.00 O ATOM 1288 CB ASP A 77 0.640 -8.129 -4.835 1.00 1.00 C ATOM 1289 CG ASP A 77 -0.839 -8.290 -4.528 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -1.669 -8.189 -5.457 1.00 1.00 O ATOM 1291 OD2 ASP A 77 -1.176 -8.555 -3.357 1.00 1.00 O ATOM 0 H ASP A 77 2.949 -7.753 -5.690 1.00 1.00 H new ATOM 0 HA ASP A 77 0.370 -8.087 -6.954 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.122 -9.104 -4.765 1.00 1.00 H new ATOM 0 HB3 ASP A 77 1.090 -7.495 -4.071 1.00 1.00 H new ATOM 1296 N THR A 78 -0.784 -5.880 -6.319 1.00 1.00 N ATOM 1297 CA THR A 78 -1.353 -4.557 -6.497 1.00 1.00 C ATOM 1298 C THR A 78 -2.285 -4.199 -5.339 1.00 1.00 C ATOM 1299 O THR A 78 -3.072 -5.028 -4.877 1.00 1.00 O ATOM 1300 CB THR A 78 -2.122 -4.468 -7.832 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.275 -4.901 -8.908 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.597 -3.046 -8.103 1.00 1.00 C ATOM 0 H THR A 78 -1.476 -6.626 -6.243 1.00 1.00 H new ATOM 0 HA THR A 78 -0.529 -3.844 -6.514 1.00 1.00 H new ATOM 0 HB THR A 78 -2.997 -5.115 -7.762 1.00 1.00 H new ATOM 0 HG1 THR A 78 -1.766 -4.845 -9.754 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.135 -3.016 -9.050 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.259 -2.724 -7.299 1.00 1.00 H new ATOM 0 HG23 THR A 78 -1.737 -2.378 -8.153 1.00 1.00 H new ATOM 1310 N MET A 79 -2.167 -2.970 -4.855 1.00 1.00 N ATOM 1311 CA MET A 79 -3.076 -2.447 -3.848 1.00 1.00 C ATOM 1312 C MET A 79 -3.534 -1.061 -4.240 1.00 1.00 C ATOM 1313 O MET A 79 -2.744 -0.253 -4.723 1.00 1.00 O ATOM 1314 CB MET A 79 -2.430 -2.374 -2.466 1.00 1.00 C ATOM 1315 CG MET A 79 -2.141 -3.723 -1.835 1.00 1.00 C ATOM 1316 SD MET A 79 -1.777 -3.587 -0.077 1.00 1.00 S ATOM 1317 CE MET A 79 -0.494 -2.345 -0.123 1.00 1.00 C ATOM 0 H MET A 79 -1.444 -2.313 -5.148 1.00 1.00 H new ATOM 0 HA MET A 79 -3.921 -3.133 -3.795 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.497 -1.816 -2.544 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.085 -1.809 -1.802 1.00 1.00 H new ATOM 0 HG2 MET A 79 -2.999 -4.380 -1.977 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.296 -4.187 -2.344 1.00 1.00 H new ATOM 0 HE1 MET A 79 0.141 -2.446 0.757 1.00 1.00 H new ATOM 0 HE2 MET A 79 0.108 -2.477 -1.022 1.00 1.00 H new ATOM 0 HE3 MET A 79 -0.947 -1.354 -0.132 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.799 -0.785 -4.029 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.341 0.521 -4.334 1.00 1.00 C ATOM 1329 C GLU A 80 -5.314 1.406 -3.098 1.00 1.00 C ATOM 1330 O GLU A 80 -6.057 1.166 -2.148 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.783 0.407 -4.830 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.977 -0.551 -5.991 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.404 -0.545 -6.496 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.314 -0.909 -5.724 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.622 -0.171 -7.668 1.00 1.00 O ATOM 0 H GLU A 80 -5.474 -1.447 -3.647 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.725 0.963 -5.117 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.414 0.086 -4.001 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.130 1.396 -5.130 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.303 -0.278 -6.803 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.707 -1.560 -5.678 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.442 2.403 -3.082 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.532 3.429 -2.059 1.00 1.00 C ATOM 1344 C TYR A 81 -5.638 4.394 -2.458 1.00 1.00 C ATOM 1345 O TYR A 81 -5.473 5.222 -3.355 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.194 4.159 -1.844 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.296 5.334 -0.898 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.434 5.144 0.471 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -3.260 6.633 -1.380 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.533 6.220 1.331 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -3.358 7.713 -0.527 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.494 7.503 0.828 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.592 8.579 1.683 1.00 1.00 O ATOM 0 H TYR A 81 -3.681 2.522 -3.750 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.768 2.964 -1.102 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.461 3.452 -1.455 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.821 4.508 -2.807 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.464 4.140 0.869 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -3.153 6.803 -2.441 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.641 6.057 2.393 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -3.328 8.719 -0.920 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.546 9.411 1.168 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.774 4.253 -1.800 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.979 4.966 -2.183 1.00 1.00 C ATOM 1365 C ARG A 82 -8.785 5.351 -0.956 1.00 1.00 C ATOM 1366 O ARG A 82 -8.521 4.869 0.146 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.822 4.091 -3.122 1.00 1.00 C ATOM 1368 CG ARG A 82 -8.991 2.661 -2.622 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.723 1.780 -3.624 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.171 1.988 -3.607 1.00 1.00 N ATOM 1371 CZ ARG A 82 -12.052 1.095 -4.062 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.635 -0.026 -4.640 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.352 1.339 -3.960 1.00 1.00 N ATOM 0 H ARG A 82 -6.888 3.644 -0.989 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.696 5.880 -2.705 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.806 4.544 -3.245 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.355 4.072 -4.107 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.010 2.233 -2.414 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.541 2.670 -1.681 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.343 1.982 -4.625 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.508 0.734 -3.407 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.527 2.865 -3.226 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.636 -0.208 -4.738 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.314 -0.705 -4.986 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.676 2.208 -3.535 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -14.027 0.658 -4.307 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.750 6.232 -1.152 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.637 6.658 -0.082 1.00 1.00 C ATOM 1389 C LYS A 83 -11.481 5.481 0.399 1.00 1.00 C ATOM 1390 O LYS A 83 -12.091 4.776 -0.407 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.529 7.795 -0.581 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.348 8.470 0.504 1.00 1.00 C ATOM 1393 CD LYS A 83 -13.144 9.631 -0.061 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.958 10.330 1.012 1.00 1.00 C ATOM 1395 NZ LYS A 83 -14.739 11.464 0.452 1.00 1.00 N ATOM 0 H LYS A 83 -9.941 6.671 -2.053 1.00 1.00 H new ATOM 0 HA LYS A 83 -10.045 7.019 0.759 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.904 8.544 -1.067 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.206 7.403 -1.340 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.025 7.746 0.957 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.688 8.827 1.294 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.465 10.346 -0.526 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.810 9.269 -0.844 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -14.636 9.616 1.479 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -13.293 10.696 1.794 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -15.284 11.919 1.212 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -14.090 12.157 0.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -15.391 11.110 -0.277 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.503 5.267 1.705 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.213 4.132 2.281 1.00 1.00 C ATOM 1411 C LYS A 84 -13.617 4.542 2.713 1.00 1.00 C ATOM 1412 O LYS A 84 -13.898 5.730 2.890 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.433 3.569 3.474 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.225 4.567 4.602 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.381 3.986 5.728 1.00 1.00 C ATOM 1416 CE LYS A 84 -11.021 2.749 6.338 1.00 1.00 C ATOM 1417 NZ LYS A 84 -10.255 2.251 7.511 1.00 1.00 N ATOM 0 H LYS A 84 -11.037 5.864 2.388 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.299 3.356 1.521 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -11.963 2.700 3.864 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -10.460 3.220 3.127 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.741 5.461 4.210 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -12.193 4.876 4.996 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -9.392 3.732 5.346 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -10.240 4.740 6.502 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -12.042 2.981 6.642 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -11.084 1.963 5.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -10.723 1.407 7.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -9.288 2.006 7.216 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.217 2.991 8.240 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.492 3.556 2.872 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.867 3.800 3.288 1.00 1.00 C ATOM 1433 C GLN A 85 -16.538 2.475 3.623 1.00 1.00 C ATOM 1434 O GLN A 85 -16.977 1.781 2.681 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.657 4.506 2.182 1.00 1.00 C ATOM 1436 CG GLN A 85 -17.952 5.139 2.668 1.00 1.00 C ATOM 1437 CD GLN A 85 -17.715 6.396 3.484 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -16.757 7.137 3.245 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.575 6.645 4.457 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.611 2.119 4.815 1.00 1.00 O ATOM 0 H GLN A 85 -14.271 2.572 2.718 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.853 4.444 4.167 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.030 5.278 1.735 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -16.887 3.787 1.395 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -18.579 5.380 1.810 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -18.502 4.416 3.271 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.355 6.009 4.624 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -18.459 7.473 5.041 1.00 1.00 H new