USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 366 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 26 CYS SG : rot 151:sc= 0.329 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-0.37) USER MOD Set 1.3: A 45 CYS SG : rot -166:sc= -3.2! USER MOD Set 1.4: A 48 CYS SG : rot -74:sc= 1.65 USER MOD Set 1.5: A 50 THR OG1 : rot 70:sc= 1.21 USER MOD Set 2.1: A 11 CYS SG : rot 162:sc= 1.95 USER MOD Set 2.2: A 14 CYS SG : rot 142:sc= 0.117 USER MOD Set 2.3: A 30 SER OG : rot 39:sc= 1.09 USER MOD Set 2.4: A 31 CYS SG : rot 180:sc= 0.325 USER MOD Set 2.5: A 34 CYS SG : rot 143:sc= 0.209 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.187 K(o=-0.19,f=-3!) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0.693 (180deg=0.474) USER MOD Single : A 32 LYS NZ :NH3+ -132:sc= 0.98 (180deg=-0.5) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-0.25) USER MOD Single : A 40 MET CE :methyl 162:sc= -0.12 (180deg=-0.562) USER MOD Single : A 41 ASN : amide:sc= -1.67! K(o=-1.7!,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc=-0.00576 (180deg=-0.161) USER MOD Single : A 51 THR OG1 : rot -34:sc= 0.286 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 3.228 -7.804 -11.532 1.00 0.00 N ATOM 130 CA LEU A 10 2.933 -8.775 -10.464 1.00 0.00 C ATOM 131 C LEU A 10 1.482 -8.600 -9.995 1.00 0.00 C ATOM 132 O LEU A 10 0.870 -7.559 -10.263 1.00 0.00 O ATOM 133 CB LEU A 10 3.939 -8.595 -9.302 1.00 0.00 C ATOM 134 CG LEU A 10 5.440 -8.819 -9.698 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.409 -8.407 -8.570 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.704 -10.281 -10.138 1.00 0.00 C ATOM 0 HA LEU A 10 3.042 -9.791 -10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.830 -7.589 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.680 -9.290 -8.503 1.00 0.00 H new ATOM 0 HG LEU A 10 5.633 -8.168 -10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.436 -8.581 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.274 -7.350 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.203 -8.999 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.755 -10.397 -10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.461 -10.957 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.082 -10.519 -11.001 1.00 0.00 H new ATOM 148 N CYS A 11 0.942 -9.620 -9.306 1.00 0.00 N ATOM 149 CA CYS A 11 -0.460 -9.630 -8.837 1.00 0.00 C ATOM 150 C CYS A 11 -0.775 -8.374 -7.976 1.00 0.00 C ATOM 151 O CYS A 11 -0.129 -8.186 -6.948 1.00 0.00 O ATOM 152 CB CYS A 11 -0.720 -10.912 -8.029 1.00 0.00 C ATOM 153 SG CYS A 11 -2.425 -11.081 -7.421 1.00 0.00 S ATOM 0 H CYS A 11 1.462 -10.461 -9.057 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.118 -9.608 -9.706 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.482 -11.774 -8.652 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.039 -10.935 -7.178 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.648 -12.319 -7.092 1.00 0.00 H new ATOM 158 N PRO A 12 -1.783 -7.511 -8.379 1.00 0.00 N ATOM 159 CA PRO A 12 -2.058 -6.197 -7.708 1.00 0.00 C ATOM 160 C PRO A 12 -2.376 -6.336 -6.200 1.00 0.00 C ATOM 161 O PRO A 12 -2.127 -5.424 -5.404 1.00 0.00 O ATOM 162 CB PRO A 12 -3.282 -5.632 -8.494 1.00 0.00 C ATOM 163 CG PRO A 12 -3.274 -6.366 -9.804 1.00 0.00 C ATOM 164 CD PRO A 12 -2.727 -7.745 -9.509 1.00 0.00 C ATOM 0 HA PRO A 12 -1.185 -5.544 -7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.212 -5.802 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.193 -4.556 -8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.278 -6.427 -10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.654 -5.849 -10.536 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.520 -8.440 -9.232 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.219 -8.169 -10.375 1.00 0.00 H new ATOM 172 N ILE A 13 -2.921 -7.505 -5.851 1.00 0.00 N ATOM 173 CA ILE A 13 -3.286 -7.866 -4.482 1.00 0.00 C ATOM 174 C ILE A 13 -2.024 -8.262 -3.675 1.00 0.00 C ATOM 175 O ILE A 13 -1.812 -7.782 -2.561 1.00 0.00 O ATOM 176 CB ILE A 13 -4.326 -9.064 -4.466 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.703 -8.688 -5.148 1.00 0.00 C ATOM 178 CG2 ILE A 13 -4.565 -9.573 -3.024 1.00 0.00 C ATOM 179 CD1 ILE A 13 -5.697 -8.631 -6.669 1.00 0.00 C ATOM 0 H ILE A 13 -3.124 -8.241 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.752 -6.996 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.881 -9.864 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.452 -9.414 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.021 -7.717 -4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.282 -10.394 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.623 -9.923 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.958 -8.761 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.691 -8.365 -7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.979 -7.882 -7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.417 -9.606 -7.069 1.00 0.00 H new ATOM 191 N CYS A 14 -1.180 -9.120 -4.283 1.00 0.00 N ATOM 192 CA CYS A 14 -0.102 -9.830 -3.578 1.00 0.00 C ATOM 193 C CYS A 14 1.240 -9.098 -3.702 1.00 0.00 C ATOM 194 O CYS A 14 1.842 -8.737 -2.692 1.00 0.00 O ATOM 195 CB CYS A 14 0.028 -11.257 -4.139 1.00 0.00 C ATOM 196 SG CYS A 14 -1.433 -12.311 -3.891 1.00 0.00 S ATOM 0 H CYS A 14 -1.230 -9.338 -5.278 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.361 -9.867 -2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.236 -11.195 -5.207 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.889 -11.738 -3.674 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.612 -13.059 -4.939 1.00 0.00 H new ATOM 201 N TYR A 15 1.695 -8.912 -4.966 1.00 0.00 N ATOM 202 CA TYR A 15 3.030 -8.368 -5.338 1.00 0.00 C ATOM 203 C TYR A 15 4.178 -9.387 -5.138 1.00 0.00 C ATOM 204 O TYR A 15 5.073 -9.461 -5.977 1.00 0.00 O ATOM 205 CB TYR A 15 3.354 -6.996 -4.664 1.00 0.00 C ATOM 206 CG TYR A 15 2.812 -5.775 -5.425 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.478 -5.367 -5.319 1.00 0.00 C ATOM 208 CD2 TYR A 15 3.654 -5.039 -6.258 1.00 0.00 C ATOM 209 CE1 TYR A 15 1.013 -4.267 -6.024 1.00 0.00 C ATOM 210 CE2 TYR A 15 3.196 -3.947 -6.954 1.00 0.00 C ATOM 211 CZ TYR A 15 1.879 -3.562 -6.837 1.00 0.00 C ATOM 212 OH TYR A 15 1.426 -2.468 -7.546 1.00 0.00 O ATOM 0 H TYR A 15 1.127 -9.143 -5.781 1.00 0.00 H new ATOM 0 HA TYR A 15 2.961 -8.176 -6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.941 -6.993 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.435 -6.898 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.802 -5.916 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.688 -5.334 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.020 -3.963 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.867 -3.391 -7.592 1.00 0.00 H new ATOM 0 HH TYR A 15 2.164 -2.087 -8.067 1.00 0.00 H new ATOM 222 N ALA A 16 4.154 -10.187 -4.056 1.00 0.00 N ATOM 223 CA ALA A 16 5.224 -11.180 -3.779 1.00 0.00 C ATOM 224 C ALA A 16 5.178 -12.380 -4.752 1.00 0.00 C ATOM 225 O ALA A 16 6.092 -13.208 -4.751 1.00 0.00 O ATOM 226 CB ALA A 16 5.168 -11.654 -2.321 1.00 0.00 C ATOM 0 H ALA A 16 3.411 -10.170 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 16 6.176 -10.675 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.961 -12.380 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.302 -10.801 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.201 -12.118 -2.126 1.00 0.00 H new ATOM 232 N HIS A 17 4.111 -12.465 -5.578 1.00 0.00 N ATOM 233 CA HIS A 17 3.959 -13.494 -6.630 1.00 0.00 C ATOM 234 C HIS A 17 3.297 -12.838 -7.875 1.00 0.00 C ATOM 235 O HIS A 17 2.564 -11.843 -7.725 1.00 0.00 O ATOM 236 CB HIS A 17 3.104 -14.682 -6.099 1.00 0.00 C ATOM 237 CG HIS A 17 3.672 -15.394 -4.892 1.00 0.00 C ATOM 238 ND1 HIS A 17 3.286 -15.112 -3.595 1.00 0.00 N ATOM 239 CD2 HIS A 17 4.602 -16.375 -4.789 1.00 0.00 C ATOM 240 CE1 HIS A 17 3.946 -15.885 -2.761 1.00 0.00 C ATOM 241 NE2 HIS A 17 4.752 -16.657 -3.456 1.00 0.00 N ATOM 0 H HIS A 17 3.325 -11.816 -5.532 1.00 0.00 H new ATOM 0 HA HIS A 17 4.935 -13.890 -6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.111 -14.310 -5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.979 -15.407 -6.903 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.127 -16.847 -5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.843 -15.886 -1.686 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.387 -17.354 -3.066 1.00 0.00 H new ATOM 250 N PRO A 18 3.539 -13.381 -9.123 1.00 0.00 N ATOM 251 CA PRO A 18 3.008 -12.797 -10.385 1.00 0.00 C ATOM 252 C PRO A 18 1.527 -13.144 -10.646 1.00 0.00 C ATOM 253 O PRO A 18 0.764 -13.451 -9.718 1.00 0.00 O ATOM 254 CB PRO A 18 3.948 -13.423 -11.449 1.00 0.00 C ATOM 255 CG PRO A 18 4.251 -14.782 -10.906 1.00 0.00 C ATOM 256 CD PRO A 18 4.358 -14.600 -9.403 1.00 0.00 C ATOM 0 HA PRO A 18 3.005 -11.707 -10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.465 -13.481 -12.424 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.855 -12.833 -11.577 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.464 -15.492 -11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.180 -15.173 -11.322 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.975 -15.469 -8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.394 -14.465 -9.091 1.00 0.00 H new ATOM 264 N ILE A 19 1.125 -13.023 -11.919 1.00 0.00 N ATOM 265 CA ILE A 19 -0.221 -13.375 -12.398 1.00 0.00 C ATOM 266 C ILE A 19 -0.204 -14.776 -13.045 1.00 0.00 C ATOM 267 O ILE A 19 0.682 -15.082 -13.852 1.00 0.00 O ATOM 268 CB ILE A 19 -0.733 -12.292 -13.426 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.953 -10.913 -12.697 1.00 0.00 C ATOM 270 CG2 ILE A 19 -2.012 -12.755 -14.175 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.491 -9.785 -13.567 1.00 0.00 C ATOM 0 H ILE A 19 1.735 -12.672 -12.657 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.906 -13.395 -11.550 1.00 0.00 H new ATOM 0 HB ILE A 19 0.037 -12.161 -14.187 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.643 -11.068 -11.867 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.003 -10.594 -12.267 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.327 -11.978 -14.871 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.799 -13.671 -14.726 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.808 -12.941 -13.454 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.604 -8.883 -12.965 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.795 -9.591 -14.383 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.460 -10.072 -13.977 1.00 0.00 H new ATOM 283 N SER A 20 -1.197 -15.610 -12.674 1.00 0.00 N ATOM 284 CA SER A 20 -1.349 -16.993 -13.171 1.00 0.00 C ATOM 285 C SER A 20 -2.830 -17.294 -13.497 1.00 0.00 C ATOM 286 O SER A 20 -3.218 -18.461 -13.632 1.00 0.00 O ATOM 287 CB SER A 20 -0.814 -17.990 -12.110 1.00 0.00 C ATOM 288 OG SER A 20 0.553 -17.747 -11.813 1.00 0.00 O ATOM 0 H SER A 20 -1.925 -15.339 -12.013 1.00 0.00 H new ATOM 0 HA SER A 20 -0.771 -17.105 -14.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.406 -17.906 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.933 -19.010 -12.475 1.00 0.00 H new ATOM 0 HG SER A 20 0.861 -18.390 -11.140 1.00 0.00 H new ATOM 294 N ALA A 21 -3.647 -16.230 -13.653 1.00 0.00 N ATOM 295 CA ALA A 21 -5.099 -16.354 -13.889 1.00 0.00 C ATOM 296 C ALA A 21 -5.635 -15.126 -14.638 1.00 0.00 C ATOM 297 O ALA A 21 -5.209 -13.997 -14.378 1.00 0.00 O ATOM 298 CB ALA A 21 -5.845 -16.551 -12.558 1.00 0.00 C ATOM 0 H ALA A 21 -3.319 -15.265 -13.619 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.272 -17.231 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.914 -16.641 -12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.487 -17.458 -12.071 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.663 -15.694 -11.909 1.00 0.00 H new ATOM 304 N VAL A 22 -6.568 -15.364 -15.577 1.00 0.00 N ATOM 305 CA VAL A 22 -7.287 -14.302 -16.294 1.00 0.00 C ATOM 306 C VAL A 22 -8.801 -14.495 -16.099 1.00 0.00 C ATOM 307 O VAL A 22 -9.325 -15.613 -16.219 1.00 0.00 O ATOM 308 CB VAL A 22 -6.929 -14.254 -17.831 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.180 -15.616 -18.531 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.696 -13.097 -18.541 1.00 0.00 C ATOM 0 H VAL A 22 -6.844 -16.304 -15.859 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.974 -13.346 -15.875 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.861 -14.053 -17.912 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.920 -15.536 -19.587 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.565 -16.384 -18.063 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.232 -15.886 -18.436 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.434 -13.082 -19.599 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.770 -13.253 -18.435 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.421 -12.145 -18.086 1.00 0.00 H new ATOM 320 N PHE A 23 -9.480 -13.386 -15.769 1.00 0.00 N ATOM 321 CA PHE A 23 -10.928 -13.351 -15.532 1.00 0.00 C ATOM 322 C PHE A 23 -11.639 -13.133 -16.875 1.00 0.00 C ATOM 323 O PHE A 23 -11.825 -11.989 -17.315 1.00 0.00 O ATOM 324 CB PHE A 23 -11.287 -12.228 -14.505 1.00 0.00 C ATOM 325 CG PHE A 23 -10.417 -12.218 -13.240 1.00 0.00 C ATOM 326 CD1 PHE A 23 -9.959 -13.405 -12.668 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.059 -11.015 -12.632 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.173 -13.386 -11.541 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.275 -11.001 -11.502 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.833 -12.186 -10.958 1.00 0.00 C ATOM 0 H PHE A 23 -9.031 -12.477 -15.658 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.260 -14.296 -15.103 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.199 -11.260 -14.999 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.331 -12.342 -14.212 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.225 -14.351 -13.116 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.402 -10.082 -13.054 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.822 -14.313 -11.112 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.006 -10.062 -11.042 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.217 -12.174 -10.071 1.00 0.00 H new ATOM 340 N GLN A 24 -11.982 -14.249 -17.526 1.00 0.00 N ATOM 341 CA GLN A 24 -12.502 -14.267 -18.901 1.00 0.00 C ATOM 342 C GLN A 24 -14.027 -13.981 -18.906 1.00 0.00 C ATOM 343 O GLN A 24 -14.740 -14.443 -18.001 1.00 0.00 O ATOM 344 CB GLN A 24 -12.185 -15.651 -19.554 1.00 0.00 C ATOM 345 CG GLN A 24 -11.928 -15.630 -21.080 1.00 0.00 C ATOM 346 CD GLN A 24 -10.586 -14.981 -21.485 1.00 0.00 C ATOM 347 OE1 GLN A 24 -10.094 -14.040 -20.860 1.00 0.00 O ATOM 348 NE2 GLN A 24 -9.981 -15.486 -22.542 1.00 0.00 N ATOM 0 H GLN A 24 -11.906 -15.177 -17.110 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.018 -13.484 -19.485 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.308 -16.072 -19.062 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.017 -16.326 -19.354 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.953 -16.653 -21.456 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.741 -15.092 -21.567 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.403 -16.265 -23.047 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.091 -15.098 -22.854 1.00 0.00 H new ATOM 357 N PRO A 25 -14.566 -13.210 -19.911 1.00 0.00 N ATOM 358 CA PRO A 25 -13.803 -12.565 -21.014 1.00 0.00 C ATOM 359 C PRO A 25 -13.477 -11.078 -20.741 1.00 0.00 C ATOM 360 O PRO A 25 -13.239 -10.315 -21.687 1.00 0.00 O ATOM 361 CB PRO A 25 -14.796 -12.738 -22.182 1.00 0.00 C ATOM 362 CG PRO A 25 -16.145 -12.521 -21.548 1.00 0.00 C ATOM 363 CD PRO A 25 -16.015 -12.936 -20.080 1.00 0.00 C ATOM 0 HA PRO A 25 -12.817 -12.999 -21.181 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.608 -12.016 -22.977 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.719 -13.730 -22.628 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.447 -11.477 -21.629 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.909 -13.114 -22.051 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.352 -12.145 -19.410 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.616 -13.818 -19.860 1.00 0.00 H new ATOM 371 N CYS A 26 -13.451 -10.690 -19.445 1.00 0.00 N ATOM 372 CA CYS A 26 -13.239 -9.294 -19.022 1.00 0.00 C ATOM 373 C CYS A 26 -11.851 -8.777 -19.437 1.00 0.00 C ATOM 374 O CYS A 26 -11.740 -7.751 -20.120 1.00 0.00 O ATOM 375 CB CYS A 26 -13.421 -9.122 -17.495 1.00 0.00 C ATOM 376 SG CYS A 26 -13.074 -7.421 -16.947 1.00 0.00 S ATOM 0 H CYS A 26 -13.577 -11.338 -18.667 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.999 -8.702 -19.532 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.441 -9.389 -17.220 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.759 -9.812 -16.972 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.777 -7.155 -15.886 1.00 0.00 H new ATOM 381 N GLY A 27 -10.794 -9.499 -19.023 1.00 0.00 N ATOM 382 CA GLY A 27 -9.411 -9.115 -19.334 1.00 0.00 C ATOM 383 C GLY A 27 -8.576 -8.794 -18.106 1.00 0.00 C ATOM 384 O GLY A 27 -7.346 -8.877 -18.172 1.00 0.00 O ATOM 0 H GLY A 27 -10.875 -10.353 -18.471 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.934 -9.925 -19.886 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.424 -8.246 -19.991 1.00 0.00 H new ATOM 388 N HIS A 28 -9.236 -8.377 -16.990 1.00 0.00 N ATOM 389 CA HIS A 28 -8.558 -8.198 -15.682 1.00 0.00 C ATOM 390 C HIS A 28 -7.922 -9.525 -15.247 1.00 0.00 C ATOM 391 O HIS A 28 -8.509 -10.592 -15.453 1.00 0.00 O ATOM 392 CB HIS A 28 -9.527 -7.704 -14.565 1.00 0.00 C ATOM 393 CG HIS A 28 -9.878 -6.238 -14.617 1.00 0.00 C ATOM 394 ND1 HIS A 28 -11.161 -5.804 -14.383 1.00 0.00 N ATOM 395 CD2 HIS A 28 -9.070 -5.165 -14.811 1.00 0.00 C ATOM 396 CE1 HIS A 28 -11.097 -4.481 -14.436 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.856 -4.058 -14.695 1.00 0.00 N ATOM 0 H HIS A 28 -10.233 -8.160 -16.974 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.796 -7.431 -15.818 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.448 -8.283 -14.624 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.077 -7.919 -13.596 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.010 -5.185 -15.017 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.943 -3.826 -14.288 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.554 -3.088 -14.788 1.00 0.00 H new ATOM 405 N LYS A 29 -6.728 -9.445 -14.647 1.00 0.00 N ATOM 406 CA LYS A 29 -5.935 -10.628 -14.280 1.00 0.00 C ATOM 407 C LYS A 29 -5.420 -10.512 -12.835 1.00 0.00 C ATOM 408 O LYS A 29 -5.429 -9.430 -12.237 1.00 0.00 O ATOM 409 CB LYS A 29 -4.748 -10.797 -15.260 1.00 0.00 C ATOM 410 CG LYS A 29 -5.139 -10.902 -16.743 1.00 0.00 C ATOM 411 CD LYS A 29 -3.922 -11.088 -17.667 1.00 0.00 C ATOM 412 CE LYS A 29 -4.290 -10.947 -19.150 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.832 -9.597 -19.464 1.00 0.00 N ATOM 0 H LYS A 29 -6.284 -8.560 -14.402 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.576 -11.507 -14.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.072 -9.951 -15.137 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.192 -11.692 -14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.822 -11.741 -16.876 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.679 -10.002 -17.037 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.160 -10.352 -17.413 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.485 -12.072 -17.495 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.408 -11.135 -19.762 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.028 -11.704 -19.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.877 -9.472 -20.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.787 -9.504 -19.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.212 -8.870 -19.054 1.00 0.00 H new ATOM 427 N SER A 30 -4.963 -11.661 -12.313 1.00 0.00 N ATOM 428 CA SER A 30 -4.418 -11.820 -10.954 1.00 0.00 C ATOM 429 C SER A 30 -3.835 -13.240 -10.841 1.00 0.00 C ATOM 430 O SER A 30 -3.858 -14.002 -11.809 1.00 0.00 O ATOM 431 CB SER A 30 -5.522 -11.577 -9.887 1.00 0.00 C ATOM 432 OG SER A 30 -5.039 -11.696 -8.558 1.00 0.00 O ATOM 0 H SER A 30 -4.962 -12.533 -12.841 1.00 0.00 H new ATOM 0 HA SER A 30 -3.634 -11.085 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.944 -10.582 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.332 -12.291 -10.040 1.00 0.00 H new ATOM 0 HG SER A 30 -4.145 -11.298 -8.498 1.00 0.00 H new ATOM 438 N CYS A 31 -3.287 -13.595 -9.675 1.00 0.00 N ATOM 439 CA CYS A 31 -2.866 -14.982 -9.420 1.00 0.00 C ATOM 440 C CYS A 31 -4.111 -15.820 -9.089 1.00 0.00 C ATOM 441 O CYS A 31 -5.090 -15.278 -8.543 1.00 0.00 O ATOM 442 CB CYS A 31 -1.844 -15.051 -8.279 1.00 0.00 C ATOM 443 SG CYS A 31 -2.538 -14.861 -6.602 1.00 0.00 S ATOM 0 H CYS A 31 -3.125 -12.953 -8.900 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.380 -15.381 -10.310 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.326 -16.008 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.096 -14.274 -8.435 1.00 0.00 H new ATOM 0 HG CYS A 31 -1.581 -14.938 -5.725 1.00 0.00 H new ATOM 448 N LYS A 32 -4.079 -17.127 -9.422 1.00 0.00 N ATOM 449 CA LYS A 32 -5.235 -18.027 -9.249 1.00 0.00 C ATOM 450 C LYS A 32 -5.666 -18.126 -7.780 1.00 0.00 C ATOM 451 O LYS A 32 -6.858 -18.164 -7.485 1.00 0.00 O ATOM 452 CB LYS A 32 -4.928 -19.438 -9.799 1.00 0.00 C ATOM 453 CG LYS A 32 -6.087 -20.450 -9.586 1.00 0.00 C ATOM 454 CD LYS A 32 -5.777 -21.868 -10.103 1.00 0.00 C ATOM 455 CE LYS A 32 -5.531 -21.899 -11.609 1.00 0.00 C ATOM 456 NZ LYS A 32 -5.343 -23.281 -12.109 1.00 0.00 N ATOM 0 H LYS A 32 -3.257 -17.584 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.059 -17.595 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.711 -19.365 -10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.029 -19.820 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.319 -20.504 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.979 -20.077 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.899 -22.256 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.608 -22.530 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.374 -21.438 -12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.649 -21.304 -11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.501 -23.318 -12.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.216 -23.927 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.179 -23.569 -12.656 1.00 0.00 H new ATOM 470 N ALA A 33 -4.683 -18.141 -6.870 1.00 0.00 N ATOM 471 CA ALA A 33 -4.940 -18.306 -5.435 1.00 0.00 C ATOM 472 C ALA A 33 -5.858 -17.185 -4.872 1.00 0.00 C ATOM 473 O ALA A 33 -6.647 -17.430 -3.951 1.00 0.00 O ATOM 474 CB ALA A 33 -3.621 -18.377 -4.665 1.00 0.00 C ATOM 0 H ALA A 33 -3.696 -18.040 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.474 -19.246 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.827 -18.499 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.037 -19.225 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.058 -17.457 -4.822 1.00 0.00 H new ATOM 480 N CYS A 34 -5.744 -15.962 -5.460 1.00 0.00 N ATOM 481 CA CYS A 34 -6.642 -14.822 -5.156 1.00 0.00 C ATOM 482 C CYS A 34 -8.095 -15.154 -5.509 1.00 0.00 C ATOM 483 O CYS A 34 -8.970 -15.103 -4.646 1.00 0.00 O ATOM 484 CB CYS A 34 -6.221 -13.525 -5.908 1.00 0.00 C ATOM 485 SG CYS A 34 -5.007 -12.499 -5.040 1.00 0.00 S ATOM 0 H CYS A 34 -5.029 -15.744 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.557 -14.644 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.812 -13.802 -6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.112 -12.926 -6.097 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.179 -11.985 -5.900 1.00 0.00 H new ATOM 490 N ILE A 35 -8.339 -15.489 -6.789 1.00 0.00 N ATOM 491 CA ILE A 35 -9.709 -15.683 -7.294 1.00 0.00 C ATOM 492 C ILE A 35 -10.349 -16.948 -6.700 1.00 0.00 C ATOM 493 O ILE A 35 -11.546 -16.968 -6.471 1.00 0.00 O ATOM 494 CB ILE A 35 -9.781 -15.675 -8.870 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.253 -15.830 -9.400 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.840 -16.722 -9.496 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.224 -14.767 -8.900 1.00 0.00 C ATOM 0 H ILE A 35 -7.610 -15.630 -7.488 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.293 -14.827 -6.957 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.430 -14.694 -9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.237 -15.805 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.628 -16.811 -9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.922 -16.682 -10.582 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.812 -16.510 -9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.119 -17.716 -9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.214 -14.954 -9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.275 -14.804 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.878 -13.782 -9.214 1.00 0.00 H new ATOM 509 N ASN A 36 -9.533 -17.966 -6.388 1.00 0.00 N ATOM 510 CA ASN A 36 -10.013 -19.196 -5.730 1.00 0.00 C ATOM 511 C ASN A 36 -10.567 -18.860 -4.326 1.00 0.00 C ATOM 512 O ASN A 36 -11.664 -19.299 -3.953 1.00 0.00 O ATOM 513 CB ASN A 36 -8.874 -20.245 -5.639 1.00 0.00 C ATOM 514 CG ASN A 36 -9.336 -21.614 -5.111 1.00 0.00 C ATOM 515 OD1 ASN A 36 -10.475 -22.029 -5.324 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.460 -22.327 -4.418 1.00 0.00 N ATOM 0 H ASN A 36 -8.531 -17.963 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.817 -19.626 -6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.433 -20.376 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.089 -19.860 -4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.724 -23.240 -4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.522 -21.963 -4.254 1.00 0.00 H new ATOM 523 N GLN A 37 -9.800 -18.040 -3.583 1.00 0.00 N ATOM 524 CA GLN A 37 -10.199 -17.513 -2.258 1.00 0.00 C ATOM 525 C GLN A 37 -11.415 -16.566 -2.395 1.00 0.00 C ATOM 526 O GLN A 37 -12.277 -16.503 -1.506 1.00 0.00 O ATOM 527 CB GLN A 37 -9.001 -16.756 -1.623 1.00 0.00 C ATOM 528 CG GLN A 37 -9.258 -16.167 -0.218 1.00 0.00 C ATOM 529 CD GLN A 37 -8.052 -15.401 0.336 1.00 0.00 C ATOM 530 OE1 GLN A 37 -7.913 -14.194 0.131 1.00 0.00 O ATOM 531 NE2 GLN A 37 -7.167 -16.096 1.033 1.00 0.00 N ATOM 0 H GLN A 37 -8.879 -17.721 -3.885 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.485 -18.345 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.153 -17.438 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.711 -15.945 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.118 -15.499 -0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.516 -16.974 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.309 -17.094 1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.343 -15.633 1.417 1.00 0.00 H new ATOM 540 N HIS A 38 -11.466 -15.839 -3.530 1.00 0.00 N ATOM 541 CA HIS A 38 -12.536 -14.876 -3.832 1.00 0.00 C ATOM 542 C HIS A 38 -13.848 -15.614 -4.143 1.00 0.00 C ATOM 543 O HIS A 38 -14.903 -15.130 -3.778 1.00 0.00 O ATOM 544 CB HIS A 38 -12.133 -13.948 -5.006 1.00 0.00 C ATOM 545 CG HIS A 38 -13.121 -12.839 -5.317 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.126 -11.664 -4.608 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.093 -12.775 -6.262 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.092 -10.925 -5.123 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.707 -11.556 -6.129 1.00 0.00 N ATOM 0 H HIS A 38 -10.761 -15.906 -4.264 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.692 -14.251 -2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.166 -13.499 -4.779 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.000 -14.556 -5.901 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.337 -13.541 -6.984 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.352 -9.936 -4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.482 -11.200 -6.688 1.00 0.00 H new ATOM 557 N LEU A 39 -13.760 -16.823 -4.756 1.00 0.00 N ATOM 558 CA LEU A 39 -14.942 -17.652 -5.117 1.00 0.00 C ATOM 559 C LEU A 39 -15.689 -18.167 -3.866 1.00 0.00 C ATOM 560 O LEU A 39 -16.776 -18.739 -3.981 1.00 0.00 O ATOM 561 CB LEU A 39 -14.533 -18.838 -6.039 1.00 0.00 C ATOM 562 CG LEU A 39 -14.050 -18.462 -7.482 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.584 -19.708 -8.267 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.134 -17.684 -8.266 1.00 0.00 C ATOM 0 H LEU A 39 -12.870 -17.250 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.628 -17.008 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.736 -19.395 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.385 -19.512 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.191 -17.801 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.256 -19.409 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.756 -20.182 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.410 -20.414 -8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.760 -17.442 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.030 -18.298 -8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.376 -16.763 -7.736 1.00 0.00 H new ATOM 576 N MET A 40 -15.080 -17.978 -2.681 1.00 0.00 N ATOM 577 CA MET A 40 -15.756 -18.188 -1.390 1.00 0.00 C ATOM 578 C MET A 40 -16.697 -16.996 -1.093 1.00 0.00 C ATOM 579 O MET A 40 -17.825 -17.182 -0.629 1.00 0.00 O ATOM 580 CB MET A 40 -14.707 -18.350 -0.260 1.00 0.00 C ATOM 581 CG MET A 40 -13.748 -19.545 -0.444 1.00 0.00 C ATOM 582 SD MET A 40 -12.526 -19.702 0.878 1.00 0.00 S ATOM 583 CE MET A 40 -13.573 -19.880 2.321 1.00 0.00 C ATOM 0 H MET A 40 -14.110 -17.677 -2.593 1.00 0.00 H new ATOM 0 HA MET A 40 -16.351 -19.100 -1.440 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.118 -17.435 -0.194 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.229 -18.462 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.332 -20.464 -0.499 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.229 -19.440 -1.397 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.992 -20.298 3.143 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.962 -18.904 2.611 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.403 -20.547 2.088 1.00 0.00 H new ATOM 593 N ASN A 41 -16.200 -15.776 -1.386 1.00 0.00 N ATOM 594 CA ASN A 41 -16.940 -14.513 -1.190 1.00 0.00 C ATOM 595 C ASN A 41 -18.001 -14.335 -2.301 1.00 0.00 C ATOM 596 O ASN A 41 -19.206 -14.426 -2.052 1.00 0.00 O ATOM 597 CB ASN A 41 -15.967 -13.295 -1.204 1.00 0.00 C ATOM 598 CG ASN A 41 -14.824 -13.405 -0.196 1.00 0.00 C ATOM 599 OD1 ASN A 41 -14.936 -12.965 0.946 1.00 0.00 O ATOM 600 ND2 ASN A 41 -13.714 -13.994 -0.613 1.00 0.00 N ATOM 0 H ASN A 41 -15.265 -15.639 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.435 -14.559 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.547 -13.189 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.534 -12.387 -0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.920 -14.093 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.653 -14.349 -1.567 1.00 0.00 H new ATOM 607 N ASN A 42 -17.515 -14.071 -3.534 1.00 0.00 N ATOM 608 CA ASN A 42 -18.339 -13.806 -4.736 1.00 0.00 C ATOM 609 C ASN A 42 -17.649 -14.422 -5.973 1.00 0.00 C ATOM 610 O ASN A 42 -16.482 -14.791 -5.919 1.00 0.00 O ATOM 611 CB ASN A 42 -18.516 -12.271 -4.954 1.00 0.00 C ATOM 612 CG ASN A 42 -19.306 -11.570 -3.842 1.00 0.00 C ATOM 613 OD1 ASN A 42 -20.530 -11.467 -3.906 1.00 0.00 O ATOM 614 ND2 ASN A 42 -18.614 -11.095 -2.812 1.00 0.00 N ATOM 0 H ASN A 42 -16.514 -14.035 -3.726 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.322 -14.255 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.532 -11.810 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -19.022 -12.105 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -19.097 -10.629 -2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -17.599 -11.197 -2.789 1.00 0.00 H new ATOM 621 N LYS A 43 -18.375 -14.504 -7.095 1.00 0.00 N ATOM 622 CA LYS A 43 -17.819 -14.979 -8.389 1.00 0.00 C ATOM 623 C LYS A 43 -17.436 -13.770 -9.288 1.00 0.00 C ATOM 624 O LYS A 43 -17.286 -13.888 -10.512 1.00 0.00 O ATOM 625 CB LYS A 43 -18.861 -15.916 -9.073 1.00 0.00 C ATOM 626 CG LYS A 43 -18.318 -16.727 -10.275 1.00 0.00 C ATOM 627 CD LYS A 43 -19.380 -17.635 -10.924 1.00 0.00 C ATOM 628 CE LYS A 43 -18.818 -18.407 -12.128 1.00 0.00 C ATOM 629 NZ LYS A 43 -19.822 -19.318 -12.721 1.00 0.00 N ATOM 0 H LYS A 43 -19.361 -14.247 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.905 -15.549 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.246 -16.612 -8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.704 -15.313 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.931 -16.037 -11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.480 -17.339 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.755 -18.341 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.228 -17.030 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.478 -17.700 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.947 -18.982 -11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.402 -19.819 -13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.128 -20.009 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.643 -18.767 -13.044 1.00 0.00 H new ATOM 643 N ASP A 44 -17.236 -12.605 -8.656 1.00 0.00 N ATOM 644 CA ASP A 44 -17.014 -11.335 -9.368 1.00 0.00 C ATOM 645 C ASP A 44 -15.520 -11.058 -9.645 1.00 0.00 C ATOM 646 O ASP A 44 -14.627 -11.693 -9.083 1.00 0.00 O ATOM 647 CB ASP A 44 -17.665 -10.171 -8.584 1.00 0.00 C ATOM 648 CG ASP A 44 -19.199 -10.294 -8.469 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.859 -10.559 -9.497 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.756 -10.117 -7.360 1.00 0.00 O ATOM 0 H ASP A 44 -17.223 -12.515 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.491 -11.419 -10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.235 -10.131 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.419 -9.229 -9.075 1.00 0.00 H new ATOM 655 N CYS A 45 -15.274 -10.084 -10.525 1.00 0.00 N ATOM 656 CA CYS A 45 -13.933 -9.784 -11.059 1.00 0.00 C ATOM 657 C CYS A 45 -13.260 -8.645 -10.270 1.00 0.00 C ATOM 658 O CYS A 45 -12.837 -7.635 -10.853 1.00 0.00 O ATOM 659 CB CYS A 45 -14.085 -9.468 -12.566 1.00 0.00 C ATOM 660 SG CYS A 45 -12.580 -8.959 -13.443 1.00 0.00 S ATOM 0 H CYS A 45 -16.003 -9.473 -10.893 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.271 -10.642 -10.944 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.486 -10.352 -13.061 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.827 -8.678 -12.676 1.00 0.00 H new ATOM 0 HG CYS A 45 -12.901 -8.444 -14.593 1.00 0.00 H new ATOM 665 N PHE A 46 -13.191 -8.846 -8.929 1.00 0.00 N ATOM 666 CA PHE A 46 -12.496 -7.965 -7.952 1.00 0.00 C ATOM 667 C PHE A 46 -12.864 -6.466 -8.095 1.00 0.00 C ATOM 668 O PHE A 46 -13.769 -5.965 -7.416 1.00 0.00 O ATOM 669 CB PHE A 46 -10.946 -8.164 -7.996 1.00 0.00 C ATOM 670 CG PHE A 46 -10.447 -9.474 -7.382 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.528 -10.669 -8.090 1.00 0.00 C ATOM 672 CD2 PHE A 46 -9.900 -9.501 -6.094 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.070 -11.847 -7.536 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.445 -10.682 -5.545 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.531 -11.853 -6.268 1.00 0.00 C ATOM 0 H PHE A 46 -13.631 -9.651 -8.483 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.858 -8.277 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.618 -8.118 -9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.473 -7.332 -7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.953 -10.675 -9.083 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.833 -8.587 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.134 -12.767 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.022 -10.689 -4.551 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.175 -12.778 -5.839 1.00 0.00 H new ATOM 685 N PHE A 47 -12.156 -5.791 -9.019 1.00 0.00 N ATOM 686 CA PHE A 47 -12.167 -4.334 -9.175 1.00 0.00 C ATOM 687 C PHE A 47 -13.483 -3.887 -9.834 1.00 0.00 C ATOM 688 O PHE A 47 -14.316 -3.249 -9.191 1.00 0.00 O ATOM 689 CB PHE A 47 -10.926 -3.908 -10.010 1.00 0.00 C ATOM 690 CG PHE A 47 -9.614 -4.521 -9.497 1.00 0.00 C ATOM 691 CD1 PHE A 47 -9.033 -4.064 -8.317 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.981 -5.570 -10.180 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.864 -4.628 -7.830 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.810 -6.130 -9.692 1.00 0.00 C ATOM 695 CZ PHE A 47 -7.254 -5.657 -8.518 1.00 0.00 C ATOM 0 H PHE A 47 -11.548 -6.259 -9.691 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.110 -3.847 -8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.076 -4.203 -11.049 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.842 -2.821 -9.996 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.501 -3.257 -7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.411 -5.946 -11.097 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.430 -4.262 -6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.332 -6.936 -10.229 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.342 -6.093 -8.139 1.00 0.00 H new ATOM 705 N CYS A 48 -13.694 -4.290 -11.103 1.00 0.00 N ATOM 706 CA CYS A 48 -14.901 -3.893 -11.879 1.00 0.00 C ATOM 707 C CYS A 48 -16.153 -4.677 -11.409 1.00 0.00 C ATOM 708 O CYS A 48 -17.283 -4.282 -11.710 1.00 0.00 O ATOM 709 CB CYS A 48 -14.669 -4.131 -13.380 1.00 0.00 C ATOM 710 SG CYS A 48 -14.777 -5.886 -13.849 1.00 0.00 S ATOM 0 H CYS A 48 -13.049 -4.890 -11.618 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.077 -2.832 -11.705 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.404 -3.563 -13.950 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.687 -3.747 -13.655 1.00 0.00 H new ATOM 0 HG CYS A 48 -13.709 -6.509 -13.448 1.00 0.00 H new ATOM 715 N LYS A 49 -15.911 -5.799 -10.678 1.00 0.00 N ATOM 716 CA LYS A 49 -16.954 -6.664 -10.057 1.00 0.00 C ATOM 717 C LYS A 49 -17.858 -7.378 -11.094 1.00 0.00 C ATOM 718 O LYS A 49 -18.977 -7.784 -10.764 1.00 0.00 O ATOM 719 CB LYS A 49 -17.831 -5.882 -9.024 1.00 0.00 C ATOM 720 CG LYS A 49 -17.055 -5.137 -7.917 1.00 0.00 C ATOM 721 CD LYS A 49 -18.002 -4.510 -6.866 1.00 0.00 C ATOM 722 CE LYS A 49 -17.284 -3.545 -5.915 1.00 0.00 C ATOM 723 NZ LYS A 49 -16.796 -2.335 -6.627 1.00 0.00 N ATOM 0 H LYS A 49 -14.965 -6.135 -10.500 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.400 -7.438 -9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.440 -5.158 -9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.517 -6.585 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.373 -5.830 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.444 -4.355 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.803 -3.978 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.468 -5.305 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.963 -3.248 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.443 -4.055 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.533 -1.607 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.965 -2.582 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.548 -1.969 -7.245 1.00 0.00 H new ATOM 737 N THR A 50 -17.364 -7.561 -12.330 1.00 0.00 N ATOM 738 CA THR A 50 -18.079 -8.333 -13.365 1.00 0.00 C ATOM 739 C THR A 50 -18.103 -9.829 -12.991 1.00 0.00 C ATOM 740 O THR A 50 -17.051 -10.400 -12.693 1.00 0.00 O ATOM 741 CB THR A 50 -17.394 -8.163 -14.758 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.271 -6.768 -15.063 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.164 -8.876 -15.894 1.00 0.00 C ATOM 0 H THR A 50 -16.468 -7.184 -12.639 1.00 0.00 H new ATOM 0 HA THR A 50 -19.099 -7.953 -13.423 1.00 0.00 H new ATOM 0 HB THR A 50 -16.411 -8.629 -14.694 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.599 -6.363 -14.476 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.642 -8.724 -16.839 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.223 -9.943 -15.680 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.171 -8.464 -15.965 1.00 0.00 H new ATOM 751 N THR A 51 -19.299 -10.443 -13.001 1.00 0.00 N ATOM 752 CA THR A 51 -19.461 -11.878 -12.744 1.00 0.00 C ATOM 753 C THR A 51 -18.710 -12.677 -13.836 1.00 0.00 C ATOM 754 O THR A 51 -19.089 -12.648 -15.015 1.00 0.00 O ATOM 755 CB THR A 51 -20.975 -12.281 -12.700 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.691 -11.378 -11.839 1.00 0.00 O ATOM 757 CG2 THR A 51 -21.178 -13.730 -12.203 1.00 0.00 C ATOM 0 H THR A 51 -20.176 -9.957 -13.187 1.00 0.00 H new ATOM 0 HA THR A 51 -19.037 -12.113 -11.768 1.00 0.00 H new ATOM 0 HB THR A 51 -21.359 -12.221 -13.718 1.00 0.00 H new ATOM 0 HG1 THR A 51 -21.110 -11.102 -11.100 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.242 -13.964 -12.189 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.663 -14.420 -12.872 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.772 -13.830 -11.197 1.00 0.00 H new ATOM 765 N ILE A 52 -17.618 -13.332 -13.425 1.00 0.00 N ATOM 766 CA ILE A 52 -16.678 -14.019 -14.327 1.00 0.00 C ATOM 767 C ILE A 52 -17.311 -15.286 -14.919 1.00 0.00 C ATOM 768 O ILE A 52 -17.946 -16.057 -14.192 1.00 0.00 O ATOM 769 CB ILE A 52 -15.365 -14.412 -13.561 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.786 -13.186 -12.790 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.306 -14.999 -14.532 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.619 -13.512 -11.884 1.00 0.00 C ATOM 0 H ILE A 52 -17.356 -13.402 -12.442 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.435 -13.330 -15.136 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.620 -15.184 -12.835 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.470 -12.434 -13.513 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.581 -12.740 -12.192 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.407 -15.262 -13.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.708 -15.890 -15.014 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.058 -14.257 -15.291 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.279 -12.603 -11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.932 -14.239 -11.135 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.804 -13.929 -12.476 1.00 0.00 H new ATOM 784 N VAL A 53 -17.140 -15.489 -16.235 1.00 0.00 N ATOM 785 CA VAL A 53 -17.647 -16.678 -16.933 1.00 0.00 C ATOM 786 C VAL A 53 -16.718 -17.874 -16.662 1.00 0.00 C ATOM 787 O VAL A 53 -17.175 -18.939 -16.246 1.00 0.00 O ATOM 788 CB VAL A 53 -17.773 -16.426 -18.477 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.334 -17.668 -19.221 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.637 -15.174 -18.756 1.00 0.00 C ATOM 0 H VAL A 53 -16.647 -14.834 -16.843 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.644 -16.899 -16.551 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.770 -16.246 -18.864 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.406 -17.452 -20.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.667 -18.516 -19.067 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.324 -17.909 -18.832 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.712 -15.016 -19.832 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.634 -15.320 -18.340 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.175 -14.302 -18.293 1.00 0.00 H new ATOM 800 N SER A 54 -15.411 -17.671 -16.896 1.00 0.00 N ATOM 801 CA SER A 54 -14.382 -18.713 -16.708 1.00 0.00 C ATOM 802 C SER A 54 -13.053 -18.047 -16.321 1.00 0.00 C ATOM 803 O SER A 54 -12.816 -16.894 -16.675 1.00 0.00 O ATOM 804 CB SER A 54 -14.215 -19.536 -18.007 1.00 0.00 C ATOM 805 OG SER A 54 -15.429 -20.156 -18.398 1.00 0.00 O ATOM 0 H SER A 54 -15.035 -16.780 -17.221 1.00 0.00 H new ATOM 0 HA SER A 54 -14.690 -19.390 -15.911 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.866 -18.884 -18.808 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.449 -20.298 -17.859 1.00 0.00 H new ATOM 0 HG SER A 54 -15.285 -20.665 -19.223 1.00 0.00 H new ATOM 811 N VAL A 55 -12.206 -18.766 -15.566 1.00 0.00 N ATOM 812 CA VAL A 55 -10.869 -18.277 -15.157 1.00 0.00 C ATOM 813 C VAL A 55 -9.801 -19.252 -15.676 1.00 0.00 C ATOM 814 O VAL A 55 -9.719 -20.387 -15.186 1.00 0.00 O ATOM 815 CB VAL A 55 -10.731 -18.144 -13.589 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.353 -17.561 -13.192 1.00 0.00 C ATOM 817 CG2 VAL A 55 -11.873 -17.294 -12.992 1.00 0.00 C ATOM 0 H VAL A 55 -12.423 -19.701 -15.220 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.733 -17.283 -15.584 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.806 -19.149 -13.173 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.290 -17.482 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.562 -18.218 -13.555 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.235 -16.572 -13.635 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.747 -17.223 -11.912 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.848 -16.295 -13.427 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.831 -17.763 -13.216 1.00 0.00 H new ATOM 827 N GLU A 56 -8.998 -18.819 -16.671 1.00 0.00 N ATOM 828 CA GLU A 56 -7.917 -19.655 -17.259 1.00 0.00 C ATOM 829 C GLU A 56 -6.586 -19.395 -16.554 1.00 0.00 C ATOM 830 O GLU A 56 -6.374 -18.320 -15.992 1.00 0.00 O ATOM 831 CB GLU A 56 -7.743 -19.398 -18.794 1.00 0.00 C ATOM 832 CG GLU A 56 -8.812 -20.036 -19.708 1.00 0.00 C ATOM 833 CD GLU A 56 -10.202 -19.409 -19.574 1.00 0.00 C ATOM 834 OE1 GLU A 56 -10.478 -18.430 -20.285 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.017 -19.891 -18.760 1.00 0.00 O ATOM 0 H GLU A 56 -9.075 -17.892 -17.089 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.213 -20.694 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.742 -18.322 -18.965 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.764 -19.770 -19.097 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.486 -19.952 -20.745 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.881 -21.100 -19.481 1.00 0.00 H new ATOM 842 N ASP A 57 -5.700 -20.406 -16.602 1.00 0.00 N ATOM 843 CA ASP A 57 -4.297 -20.270 -16.199 1.00 0.00 C ATOM 844 C ASP A 57 -3.589 -19.347 -17.196 1.00 0.00 C ATOM 845 O ASP A 57 -3.211 -19.797 -18.289 1.00 0.00 O ATOM 846 CB ASP A 57 -3.584 -21.652 -16.171 1.00 0.00 C ATOM 847 CG ASP A 57 -4.103 -22.579 -15.069 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.240 -23.090 -15.187 1.00 0.00 O ATOM 849 OD2 ASP A 57 -3.383 -22.807 -14.076 1.00 0.00 O ATOM 0 H ASP A 57 -5.943 -21.343 -16.924 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.257 -19.850 -15.194 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.714 -22.140 -17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.514 -21.498 -16.033 1.00 0.00 H new ATOM 854 N TRP A 58 -3.472 -18.050 -16.854 1.00 0.00 N ATOM 855 CA TRP A 58 -2.750 -17.092 -17.695 1.00 0.00 C ATOM 856 C TRP A 58 -1.243 -17.324 -17.515 1.00 0.00 C ATOM 857 O TRP A 58 -0.616 -16.808 -16.581 1.00 0.00 O ATOM 858 CB TRP A 58 -3.139 -15.618 -17.404 1.00 0.00 C ATOM 859 CG TRP A 58 -2.561 -14.665 -18.434 1.00 0.00 C ATOM 860 CD1 TRP A 58 -3.032 -14.447 -19.702 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.385 -13.843 -18.300 1.00 0.00 C ATOM 862 NE1 TRP A 58 -2.236 -13.533 -20.349 1.00 0.00 N ATOM 863 CE2 TRP A 58 -1.226 -13.145 -19.511 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.459 -13.626 -17.274 1.00 0.00 C ATOM 865 CZ2 TRP A 58 -0.180 -12.256 -19.721 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.574 -12.737 -17.480 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.705 -12.063 -18.700 1.00 0.00 C ATOM 0 H TRP A 58 -3.868 -17.648 -16.004 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.031 -17.263 -18.734 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.225 -15.525 -17.393 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.785 -15.338 -16.412 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.901 -14.924 -20.130 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.376 -13.197 -21.302 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.552 -14.148 -16.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.070 -11.735 -20.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.290 -12.558 -16.692 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.526 -11.374 -18.836 1.00 0.00 H new