USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 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 17 SER OG : rot -120:sc= 0.841 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 151:sc= -0.527 (180deg=-1.66!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.54! X(o=-1.5!,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 27 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.16) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -27:sc= 0.3 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 0.0138 (180deg=-0.00394) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 40:sc= 0.186 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -139:sc= -2.25! (180deg=-3.85!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 80:sc= -1.59 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.0505 K(o=-0.05,f=-3.2!) USER MOD Single : A 68 MET CE :methyl -133:sc= -5.6! (180deg=-9.85!) USER MOD Single : A 69 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.048) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= -12.9! (180deg=-14.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.048 X(o=-0.048,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.839 -0.603 -4.851 1.00 0.00 N ATOM 164 CA PRO A 8 -8.400 -0.323 -4.825 1.00 0.00 C ATOM 165 C PRO A 8 -7.570 -1.578 -4.574 1.00 0.00 C ATOM 166 O PRO A 8 -7.934 -2.421 -3.754 1.00 0.00 O ATOM 167 CB PRO A 8 -8.250 0.659 -3.661 1.00 0.00 C ATOM 168 CG PRO A 8 -9.411 0.373 -2.772 1.00 0.00 C ATOM 169 CD PRO A 8 -10.535 -0.043 -3.681 1.00 0.00 C ATOM 0 HA PRO A 8 -8.044 0.068 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.305 0.512 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.263 1.692 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.172 -0.417 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.684 1.254 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.182 -0.781 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.164 0.804 -3.955 1.00 0.00 H new ATOM 177 N ARG A 9 -6.452 -1.695 -5.284 1.00 0.00 N ATOM 178 CA ARG A 9 -5.571 -2.846 -5.136 1.00 0.00 C ATOM 179 C ARG A 9 -4.113 -2.407 -5.044 1.00 0.00 C ATOM 180 O ARG A 9 -3.198 -3.204 -5.253 1.00 0.00 O ATOM 181 CB ARG A 9 -5.751 -3.806 -6.314 1.00 0.00 C ATOM 182 CG ARG A 9 -7.060 -4.578 -6.276 1.00 0.00 C ATOM 183 CD ARG A 9 -7.253 -5.412 -7.533 1.00 0.00 C ATOM 184 NE ARG A 9 -7.259 -4.589 -8.741 1.00 0.00 N ATOM 185 CZ ARG A 9 -6.155 -4.219 -9.382 1.00 0.00 C ATOM 186 NH1 ARG A 9 -4.966 -4.596 -8.935 1.00 0.00 N ATOM 187 NH2 ARG A 9 -6.242 -3.471 -10.474 1.00 0.00 N ATOM 0 H ARG A 9 -6.136 -1.007 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.837 -3.359 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.700 -3.240 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.922 -4.513 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.075 -5.228 -5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.891 -3.881 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.456 -6.152 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.192 -5.961 -7.463 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.158 -4.282 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.896 -5.172 -8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.121 -4.310 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.156 -3.180 -10.821 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.395 -3.187 -10.966 1.00 0.00 H new ATOM 201 N THR A 10 -3.903 -1.133 -4.730 1.00 0.00 N ATOM 202 CA THR A 10 -2.556 -0.587 -4.611 1.00 0.00 C ATOM 203 C THR A 10 -2.345 0.063 -3.248 1.00 0.00 C ATOM 204 O THR A 10 -3.196 0.812 -2.767 1.00 0.00 O ATOM 205 CB THR A 10 -2.273 0.453 -5.712 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.700 -0.050 -6.983 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.791 0.791 -5.767 1.00 0.00 C ATOM 0 H THR A 10 -4.648 -0.459 -4.553 1.00 0.00 H new ATOM 0 HA THR A 10 -1.865 -1.422 -4.723 1.00 0.00 H new ATOM 0 HB THR A 10 -2.829 1.360 -5.476 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.518 0.618 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.615 1.527 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.475 1.201 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.220 -0.112 -5.982 1.00 0.00 H new ATOM 215 N LEU A 11 -1.206 -0.227 -2.631 1.00 0.00 N ATOM 216 CA LEU A 11 -0.881 0.329 -1.322 1.00 0.00 C ATOM 217 C LEU A 11 0.494 0.989 -1.336 1.00 0.00 C ATOM 218 O LEU A 11 1.426 0.492 -1.968 1.00 0.00 O ATOM 219 CB LEU A 11 -0.923 -0.765 -0.255 1.00 0.00 C ATOM 220 CG LEU A 11 -1.901 -1.913 -0.509 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.729 -3.003 0.537 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.334 -1.400 -0.517 1.00 0.00 C ATOM 0 H LEU A 11 -0.491 -0.844 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.626 1.088 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.078 -1.183 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.175 -0.304 0.700 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.683 -2.341 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.433 -3.811 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.711 -3.390 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.919 -2.590 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.017 -2.230 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.563 -0.946 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.450 -0.656 -1.305 1.00 0.00 H new ATOM 234 N TYR A 12 0.614 2.110 -0.633 1.00 0.00 N ATOM 235 CA TYR A 12 1.876 2.838 -0.565 1.00 0.00 C ATOM 236 C TYR A 12 2.618 2.522 0.731 1.00 0.00 C ATOM 237 O TYR A 12 2.091 2.722 1.826 1.00 0.00 O ATOM 238 CB TYR A 12 1.627 4.343 -0.669 1.00 0.00 C ATOM 239 CG TYR A 12 2.674 5.180 0.031 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.625 5.381 1.405 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.711 5.769 -0.681 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.579 6.145 2.048 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.670 6.534 -0.045 1.00 0.00 C ATOM 244 CZ TYR A 12 4.599 6.720 1.320 1.00 0.00 C ATOM 245 OH TYR A 12 5.552 7.481 1.957 1.00 0.00 O ATOM 0 H TYR A 12 -0.147 2.534 -0.102 1.00 0.00 H new ATOM 0 HA TYR A 12 2.495 2.520 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.592 4.625 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.649 4.571 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.828 4.933 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.769 5.627 -1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.526 6.291 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.471 6.984 -0.613 1.00 0.00 H new ATOM 0 HH TYR A 12 6.200 7.811 1.300 1.00 0.00 H new ATOM 255 N VAL A 13 3.844 2.027 0.597 1.00 0.00 N ATOM 256 CA VAL A 13 4.661 1.686 1.756 1.00 0.00 C ATOM 257 C VAL A 13 5.757 2.721 1.980 1.00 0.00 C ATOM 258 O VAL A 13 6.609 2.935 1.120 1.00 0.00 O ATOM 259 CB VAL A 13 5.307 0.297 1.597 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.943 -0.149 2.904 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.277 -0.718 1.121 1.00 0.00 C ATOM 0 H VAL A 13 4.293 1.853 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 13 3.996 1.673 2.619 1.00 0.00 H new ATOM 0 HB VAL A 13 6.092 0.364 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.394 -1.132 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.711 0.566 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.180 -0.201 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.750 -1.694 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.469 -0.785 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.874 -0.403 0.159 1.00 0.00 H new ATOM 271 N GLY A 14 5.729 3.362 3.145 1.00 0.00 N ATOM 272 CA GLY A 14 6.726 4.368 3.463 1.00 0.00 C ATOM 273 C GLY A 14 7.464 4.065 4.752 1.00 0.00 C ATOM 274 O GLY A 14 7.071 3.177 5.506 1.00 0.00 O ATOM 0 H GLY A 14 5.034 3.202 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.443 4.436 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.242 5.341 3.545 1.00 0.00 H new ATOM 278 N ASN A 15 8.540 4.805 5.004 1.00 0.00 N ATOM 279 CA ASN A 15 9.336 4.610 6.210 1.00 0.00 C ATOM 280 C ASN A 15 10.033 3.252 6.187 1.00 0.00 C ATOM 281 O ASN A 15 9.915 2.466 7.127 1.00 0.00 O ATOM 282 CB ASN A 15 8.452 4.721 7.453 1.00 0.00 C ATOM 283 CG ASN A 15 9.239 5.120 8.686 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.245 6.287 9.083 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.907 4.152 9.301 1.00 0.00 N ATOM 0 H ASN A 15 8.880 5.544 4.389 1.00 0.00 H new ATOM 0 HA ASN A 15 10.097 5.389 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.667 5.455 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.960 3.765 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.453 4.361 10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.874 3.199 8.938 1.00 0.00 H new ATOM 292 N LEU A 16 10.759 2.984 5.108 1.00 0.00 N ATOM 293 CA LEU A 16 11.477 1.723 4.963 1.00 0.00 C ATOM 294 C LEU A 16 12.977 1.925 5.149 1.00 0.00 C ATOM 295 O LEU A 16 13.553 2.885 4.639 1.00 0.00 O ATOM 296 CB LEU A 16 11.200 1.112 3.587 1.00 0.00 C ATOM 297 CG LEU A 16 9.737 0.795 3.276 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.525 0.673 1.775 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.306 -0.483 3.982 1.00 0.00 C ATOM 0 H LEU A 16 10.866 3.623 4.320 1.00 0.00 H new ATOM 0 HA LEU A 16 11.123 1.041 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.572 1.797 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.777 0.192 3.497 1.00 0.00 H new ATOM 0 HG LEU A 16 9.121 1.616 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.478 0.447 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.794 1.613 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.151 -0.128 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.262 -0.693 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.927 -1.313 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.420 -0.360 5.059 1.00 0.00 H new ATOM 311 N SER A 17 13.605 1.011 5.884 1.00 0.00 N ATOM 312 CA SER A 17 15.038 1.090 6.140 1.00 0.00 C ATOM 313 C SER A 17 15.830 0.964 4.841 1.00 0.00 C ATOM 314 O SER A 17 15.327 0.446 3.843 1.00 0.00 O ATOM 315 CB SER A 17 15.464 -0.008 7.117 1.00 0.00 C ATOM 316 OG SER A 17 16.850 0.074 7.403 1.00 0.00 O ATOM 0 H SER A 17 13.144 0.208 6.312 1.00 0.00 H new ATOM 0 HA SER A 17 15.250 2.064 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.893 0.081 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.234 -0.986 6.693 1.00 0.00 H new ATOM 0 HG SER A 17 17.288 -0.762 7.140 1.00 0.00 H new ATOM 322 N ARG A 18 17.069 1.441 4.862 1.00 0.00 N ATOM 323 CA ARG A 18 17.930 1.384 3.687 1.00 0.00 C ATOM 324 C ARG A 18 18.338 -0.055 3.382 1.00 0.00 C ATOM 325 O ARG A 18 18.939 -0.332 2.343 1.00 0.00 O ATOM 326 CB ARG A 18 19.178 2.245 3.900 1.00 0.00 C ATOM 327 CG ARG A 18 18.964 3.715 3.581 1.00 0.00 C ATOM 328 CD ARG A 18 19.004 3.971 2.082 1.00 0.00 C ATOM 329 NE ARG A 18 20.308 3.649 1.507 1.00 0.00 N ATOM 330 CZ ARG A 18 20.766 4.187 0.382 1.00 0.00 C ATOM 331 NH1 ARG A 18 20.032 5.067 -0.285 1.00 0.00 N ATOM 332 NH2 ARG A 18 21.963 3.845 -0.078 1.00 0.00 N ATOM 0 H ARG A 18 17.500 1.872 5.680 1.00 0.00 H new ATOM 0 HA ARG A 18 17.369 1.773 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.502 2.150 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.985 1.860 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.003 4.039 3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.732 4.311 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.234 3.375 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.770 5.017 1.886 1.00 0.00 H new ATOM 0 HE ARG A 18 20.898 2.975 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.112 5.333 0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.388 5.478 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.531 3.169 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.315 4.258 -0.942 1.00 0.00 H new ATOM 346 N ASP A 19 18.010 -0.964 4.293 1.00 0.00 N ATOM 347 CA ASP A 19 18.341 -2.373 4.121 1.00 0.00 C ATOM 348 C ASP A 19 17.220 -3.111 3.395 1.00 0.00 C ATOM 349 O ASP A 19 17.463 -4.085 2.684 1.00 0.00 O ATOM 350 CB ASP A 19 18.603 -3.027 5.479 1.00 0.00 C ATOM 351 CG ASP A 19 19.553 -2.217 6.338 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.780 -2.411 6.210 1.00 0.00 O ATOM 353 OD2 ASP A 19 19.070 -1.388 7.138 1.00 0.00 O ATOM 0 H ASP A 19 17.515 -0.750 5.159 1.00 0.00 H new ATOM 0 HA ASP A 19 19.245 -2.437 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.658 -3.152 6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 19 19.017 -4.024 5.325 1.00 0.00 H new ATOM 358 N VAL A 20 15.991 -2.638 3.580 1.00 0.00 N ATOM 359 CA VAL A 20 14.833 -3.252 2.943 1.00 0.00 C ATOM 360 C VAL A 20 15.021 -3.346 1.433 1.00 0.00 C ATOM 361 O VAL A 20 15.764 -2.565 0.838 1.00 0.00 O ATOM 362 CB VAL A 20 13.545 -2.461 3.240 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.396 -2.967 2.379 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.194 -2.550 4.717 1.00 0.00 C ATOM 0 H VAL A 20 15.773 -1.832 4.166 1.00 0.00 H new ATOM 0 HA VAL A 20 14.739 -4.256 3.357 1.00 0.00 H new ATOM 0 HB VAL A 20 13.718 -1.413 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.495 -2.396 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.650 -2.846 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.220 -4.022 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.281 -1.986 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.040 -3.593 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.009 -2.135 5.310 1.00 0.00 H new ATOM 374 N THR A 21 14.342 -4.308 0.817 1.00 0.00 N ATOM 375 CA THR A 21 14.434 -4.506 -0.625 1.00 0.00 C ATOM 376 C THR A 21 13.076 -4.862 -1.219 1.00 0.00 C ATOM 377 O THR A 21 12.176 -5.306 -0.509 1.00 0.00 O ATOM 378 CB THR A 21 15.442 -5.618 -0.975 1.00 0.00 C ATOM 379 OG1 THR A 21 15.288 -6.721 -0.075 1.00 0.00 O ATOM 380 CG2 THR A 21 16.869 -5.095 -0.906 1.00 0.00 C ATOM 0 H THR A 21 13.722 -4.963 1.294 1.00 0.00 H new ATOM 0 HA THR A 21 14.779 -3.564 -1.052 1.00 0.00 H new ATOM 0 HB THR A 21 15.243 -5.951 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.931 -7.424 -0.306 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.563 -5.897 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.991 -4.275 -1.614 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.077 -4.737 0.102 1.00 0.00 H new ATOM 388 N GLU A 22 12.937 -4.663 -2.526 1.00 0.00 N ATOM 389 CA GLU A 22 11.688 -4.963 -3.215 1.00 0.00 C ATOM 390 C GLU A 22 11.245 -6.397 -2.940 1.00 0.00 C ATOM 391 O GLU A 22 10.075 -6.656 -2.661 1.00 0.00 O ATOM 392 CB GLU A 22 11.845 -4.745 -4.721 1.00 0.00 C ATOM 393 CG GLU A 22 10.679 -5.277 -5.538 1.00 0.00 C ATOM 394 CD GLU A 22 10.876 -6.720 -5.964 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.692 -7.619 -5.117 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.213 -6.950 -7.144 1.00 0.00 O ATOM 0 H GLU A 22 13.674 -4.296 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 22 10.922 -4.286 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.957 -3.678 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.763 -5.228 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.763 -5.197 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.547 -4.655 -6.424 1.00 0.00 H new ATOM 403 N VAL A 23 12.192 -7.328 -3.024 1.00 0.00 N ATOM 404 CA VAL A 23 11.901 -8.736 -2.784 1.00 0.00 C ATOM 405 C VAL A 23 11.460 -8.970 -1.343 1.00 0.00 C ATOM 406 O VAL A 23 10.536 -9.741 -1.083 1.00 0.00 O ATOM 407 CB VAL A 23 13.126 -9.621 -3.083 1.00 0.00 C ATOM 408 CG1 VAL A 23 12.820 -11.079 -2.779 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.566 -9.450 -4.530 1.00 0.00 C ATOM 0 H VAL A 23 13.166 -7.132 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 23 11.089 -9.010 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 23 13.946 -9.306 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.697 -11.688 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.558 -11.184 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.985 -11.412 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.432 -10.082 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.751 -9.737 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.830 -8.408 -4.709 1.00 0.00 H new ATOM 419 N LEU A 24 12.125 -8.297 -0.410 1.00 0.00 N ATOM 420 CA LEU A 24 11.801 -8.429 1.006 1.00 0.00 C ATOM 421 C LEU A 24 10.341 -8.071 1.266 1.00 0.00 C ATOM 422 O LEU A 24 9.610 -8.832 1.901 1.00 0.00 O ATOM 423 CB LEU A 24 12.714 -7.534 1.843 1.00 0.00 C ATOM 424 CG LEU A 24 12.733 -7.814 3.347 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.814 -6.990 4.030 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.371 -7.523 3.961 1.00 0.00 C ATOM 0 H LEU A 24 12.892 -7.654 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 24 11.958 -9.468 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.731 -7.630 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.413 -6.498 1.690 1.00 0.00 H new ATOM 0 HG LEU A 24 12.960 -8.870 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.812 -7.202 5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.787 -7.247 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.618 -5.930 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.403 -7.728 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.115 -6.476 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.618 -8.157 3.493 1.00 0.00 H new ATOM 438 N ILE A 25 9.923 -6.912 0.770 1.00 0.00 N ATOM 439 CA ILE A 25 8.550 -6.456 0.946 1.00 0.00 C ATOM 440 C ILE A 25 7.559 -7.462 0.373 1.00 0.00 C ATOM 441 O ILE A 25 6.575 -7.821 1.022 1.00 0.00 O ATOM 442 CB ILE A 25 8.321 -5.089 0.276 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.113 -4.000 1.004 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.838 -4.749 0.259 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.486 -3.568 2.311 1.00 0.00 C ATOM 0 H ILE A 25 10.516 -6.271 0.243 1.00 0.00 H new ATOM 0 HA ILE A 25 8.385 -6.358 2.019 1.00 0.00 H new ATOM 0 HB ILE A 25 8.674 -5.143 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.122 -4.364 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.207 -3.132 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.692 -3.780 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.296 -5.513 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.462 -4.711 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.101 -2.795 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.487 -3.174 2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.417 -4.424 2.982 1.00 0.00 H new ATOM 457 N LEU A 26 7.825 -7.917 -0.847 1.00 0.00 N ATOM 458 CA LEU A 26 6.957 -8.885 -1.509 1.00 0.00 C ATOM 459 C LEU A 26 6.846 -10.167 -0.689 1.00 0.00 C ATOM 460 O LEU A 26 5.806 -10.824 -0.686 1.00 0.00 O ATOM 461 CB LEU A 26 7.488 -9.204 -2.907 1.00 0.00 C ATOM 462 CG LEU A 26 7.199 -8.162 -3.989 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.782 -8.602 -5.323 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.702 -7.922 -4.112 1.00 0.00 C ATOM 0 H LEU A 26 8.635 -7.631 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 26 5.964 -8.445 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.567 -9.341 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.065 -10.157 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 26 7.674 -7.225 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.567 -7.848 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.861 -8.722 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.337 -9.552 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.515 -7.178 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.205 -8.855 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.312 -7.561 -3.160 1.00 0.00 H new ATOM 476 N GLN A 27 7.925 -10.514 0.004 1.00 0.00 N ATOM 477 CA GLN A 27 7.949 -11.716 0.829 1.00 0.00 C ATOM 478 C GLN A 27 7.007 -11.578 2.021 1.00 0.00 C ATOM 479 O GLN A 27 6.220 -12.480 2.311 1.00 0.00 O ATOM 480 CB GLN A 27 9.371 -11.997 1.318 1.00 0.00 C ATOM 481 CG GLN A 27 10.287 -12.552 0.238 1.00 0.00 C ATOM 482 CD GLN A 27 9.853 -13.921 -0.248 1.00 0.00 C ATOM 483 OE1 GLN A 27 10.247 -14.945 0.312 1.00 0.00 O ATOM 484 NE2 GLN A 27 9.036 -13.947 -1.294 1.00 0.00 N ATOM 0 H GLN A 27 8.794 -9.980 0.011 1.00 0.00 H new ATOM 0 HA GLN A 27 7.611 -12.552 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.801 -11.075 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.329 -12.705 2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.309 -11.861 -0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.304 -12.614 0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.734 -13.074 -1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.710 -14.840 -1.664 1.00 0.00 H new ATOM 493 N LEU A 28 7.094 -10.444 2.707 1.00 0.00 N ATOM 494 CA LEU A 28 6.249 -10.187 3.870 1.00 0.00 C ATOM 495 C LEU A 28 4.787 -10.045 3.459 1.00 0.00 C ATOM 496 O LEU A 28 3.897 -10.621 4.084 1.00 0.00 O ATOM 497 CB LEU A 28 6.713 -8.922 4.592 1.00 0.00 C ATOM 498 CG LEU A 28 8.209 -8.834 4.900 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.512 -7.590 5.722 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.676 -10.085 5.630 1.00 0.00 C ATOM 0 H LEU A 28 7.740 -9.688 2.479 1.00 0.00 H new ATOM 0 HA LEU A 28 6.336 -11.037 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.436 -8.060 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.164 -8.841 5.530 1.00 0.00 H new ATOM 0 HG LEU A 28 8.752 -8.763 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.581 -7.544 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.213 -6.703 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.960 -7.631 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.742 -10.006 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.127 -10.186 6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.494 -10.960 5.006 1.00 0.00 H new ATOM 512 N PHE A 29 4.547 -9.275 2.402 1.00 0.00 N ATOM 513 CA PHE A 29 3.192 -9.059 1.906 1.00 0.00 C ATOM 514 C PHE A 29 2.637 -10.328 1.268 1.00 0.00 C ATOM 515 O PHE A 29 1.440 -10.606 1.353 1.00 0.00 O ATOM 516 CB PHE A 29 3.175 -7.914 0.891 1.00 0.00 C ATOM 517 CG PHE A 29 3.118 -6.552 1.523 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.237 -6.009 2.133 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.944 -5.816 1.507 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.187 -4.757 2.716 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.889 -4.563 2.086 1.00 0.00 C ATOM 522 CZ PHE A 29 3.011 -4.033 2.692 1.00 0.00 C ATOM 0 H PHE A 29 5.272 -8.791 1.873 1.00 0.00 H new ATOM 0 HA PHE A 29 2.560 -8.794 2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.066 -7.979 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.315 -8.036 0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.159 -6.571 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.063 -6.226 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.066 -4.345 3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.969 -3.998 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.969 -3.054 3.146 1.00 0.00 H new ATOM 532 N SER A 30 3.514 -11.094 0.628 1.00 0.00 N ATOM 533 CA SER A 30 3.112 -12.332 -0.029 1.00 0.00 C ATOM 534 C SER A 30 2.519 -13.314 0.978 1.00 0.00 C ATOM 535 O SER A 30 1.599 -14.065 0.658 1.00 0.00 O ATOM 536 CB SER A 30 4.309 -12.971 -0.737 1.00 0.00 C ATOM 537 OG SER A 30 4.086 -14.351 -0.970 1.00 0.00 O ATOM 0 H SER A 30 4.508 -10.879 0.550 1.00 0.00 H new ATOM 0 HA SER A 30 2.348 -12.090 -0.768 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.489 -12.463 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.206 -12.841 -0.131 1.00 0.00 H new ATOM 0 HG SER A 30 4.864 -14.736 -1.425 1.00 0.00 H new ATOM 543 N GLN A 31 3.055 -13.299 2.195 1.00 0.00 N ATOM 544 CA GLN A 31 2.579 -14.188 3.248 1.00 0.00 C ATOM 545 C GLN A 31 1.087 -13.995 3.491 1.00 0.00 C ATOM 546 O GLN A 31 0.371 -14.947 3.803 1.00 0.00 O ATOM 547 CB GLN A 31 3.355 -13.940 4.543 1.00 0.00 C ATOM 548 CG GLN A 31 4.824 -14.322 4.454 1.00 0.00 C ATOM 549 CD GLN A 31 5.392 -14.766 5.788 1.00 0.00 C ATOM 550 OE1 GLN A 31 5.811 -15.914 5.946 1.00 0.00 O ATOM 551 NE2 GLN A 31 5.410 -13.859 6.757 1.00 0.00 N ATOM 0 H GLN A 31 3.817 -12.682 2.475 1.00 0.00 H new ATOM 0 HA GLN A 31 2.745 -15.215 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.278 -12.885 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.889 -14.506 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.943 -15.125 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.396 -13.470 4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.053 -12.920 6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.781 -14.101 7.676 1.00 0.00 H new ATOM 560 N ILE A 32 0.624 -12.758 3.346 1.00 0.00 N ATOM 561 CA ILE A 32 -0.784 -12.441 3.549 1.00 0.00 C ATOM 562 C ILE A 32 -1.607 -12.774 2.309 1.00 0.00 C ATOM 563 O ILE A 32 -2.638 -13.439 2.394 1.00 0.00 O ATOM 564 CB ILE A 32 -0.982 -10.955 3.900 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.241 -10.610 5.193 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.464 -10.634 4.030 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.119 -9.124 5.442 1.00 0.00 C ATOM 0 H ILE A 32 1.203 -11.959 3.089 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.127 -13.051 4.384 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.568 -10.349 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.761 -11.069 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.757 -11.047 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.588 -9.580 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.966 -10.846 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.901 -11.246 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.417 -8.954 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.428 -8.661 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.114 -8.684 5.510 1.00 0.00 H new ATOM 579 N GLY A 33 -1.142 -12.306 1.154 1.00 0.00 N ATOM 580 CA GLY A 33 -1.846 -12.564 -0.089 1.00 0.00 C ATOM 581 C GLY A 33 -0.945 -12.442 -1.302 1.00 0.00 C ATOM 582 O GLY A 33 0.191 -11.976 -1.213 1.00 0.00 O ATOM 0 H GLY A 33 -0.290 -11.753 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.275 -13.565 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.676 -11.864 -0.185 1.00 0.00 H new ATOM 586 N PRO A 34 -1.454 -12.869 -2.467 1.00 0.00 N ATOM 587 CA PRO A 34 -0.704 -12.817 -3.725 1.00 0.00 C ATOM 588 C PRO A 34 -0.505 -11.388 -4.222 1.00 0.00 C ATOM 589 O PRO A 34 -1.467 -10.634 -4.373 1.00 0.00 O ATOM 590 CB PRO A 34 -1.586 -13.604 -4.697 1.00 0.00 C ATOM 591 CG PRO A 34 -2.962 -13.486 -4.141 1.00 0.00 C ATOM 592 CD PRO A 34 -2.801 -13.435 -2.646 1.00 0.00 C ATOM 0 HA PRO A 34 0.302 -13.223 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.530 -13.192 -5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.273 -14.646 -4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.457 -12.588 -4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.577 -14.335 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.564 -12.811 -2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.883 -14.426 -2.199 1.00 0.00 H new ATOM 600 N CYS A 35 0.747 -11.025 -4.476 1.00 0.00 N ATOM 601 CA CYS A 35 1.072 -9.687 -4.957 1.00 0.00 C ATOM 602 C CYS A 35 1.228 -9.677 -6.474 1.00 0.00 C ATOM 603 O CYS A 35 1.939 -10.507 -7.041 1.00 0.00 O ATOM 604 CB CYS A 35 2.354 -9.182 -4.296 1.00 0.00 C ATOM 605 SG CYS A 35 2.306 -9.186 -2.489 1.00 0.00 S ATOM 0 H CYS A 35 1.553 -11.638 -4.357 1.00 0.00 H new ATOM 0 HA CYS A 35 0.250 -9.023 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.188 -9.800 -4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.552 -8.167 -4.641 1.00 0.00 H new ATOM 0 HG CYS A 35 1.077 -9.054 -2.087 1.00 0.00 H new ATOM 611 N LYS A 36 0.559 -8.733 -7.127 1.00 0.00 N ATOM 612 CA LYS A 36 0.622 -8.614 -8.578 1.00 0.00 C ATOM 613 C LYS A 36 1.975 -8.065 -9.021 1.00 0.00 C ATOM 614 O LYS A 36 2.620 -8.620 -9.911 1.00 0.00 O ATOM 615 CB LYS A 36 -0.499 -7.705 -9.086 1.00 0.00 C ATOM 616 CG LYS A 36 -0.896 -7.976 -10.527 1.00 0.00 C ATOM 617 CD LYS A 36 -2.316 -7.516 -10.811 1.00 0.00 C ATOM 618 CE LYS A 36 -2.554 -7.329 -12.301 1.00 0.00 C ATOM 619 NZ LYS A 36 -1.982 -6.046 -12.797 1.00 0.00 N ATOM 0 H LYS A 36 -0.034 -8.038 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 36 0.496 -9.609 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.374 -7.829 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.183 -6.666 -8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.206 -7.464 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.810 -9.043 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.022 -8.248 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.506 -6.577 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.109 -8.161 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.625 -7.352 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.741 -5.459 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.532 -5.539 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.272 -6.243 -13.531 1.00 0.00 H new ATOM 633 N SER A 37 2.400 -6.974 -8.391 1.00 0.00 N ATOM 634 CA SER A 37 3.676 -6.349 -8.721 1.00 0.00 C ATOM 635 C SER A 37 4.079 -5.340 -7.652 1.00 0.00 C ATOM 636 O SER A 37 3.233 -4.646 -7.087 1.00 0.00 O ATOM 637 CB SER A 37 3.592 -5.659 -10.084 1.00 0.00 C ATOM 638 OG SER A 37 4.863 -5.607 -10.710 1.00 0.00 O ATOM 0 H SER A 37 1.880 -6.505 -7.650 1.00 0.00 H new ATOM 0 HA SER A 37 4.435 -7.130 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.890 -6.195 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.203 -4.648 -9.960 1.00 0.00 H new ATOM 0 HG SER A 37 4.781 -5.163 -11.580 1.00 0.00 H new ATOM 644 N CYS A 38 5.377 -5.262 -7.379 1.00 0.00 N ATOM 645 CA CYS A 38 5.894 -4.338 -6.377 1.00 0.00 C ATOM 646 C CYS A 38 7.031 -3.497 -6.948 1.00 0.00 C ATOM 647 O CYS A 38 7.965 -4.024 -7.552 1.00 0.00 O ATOM 648 CB CYS A 38 6.380 -5.107 -5.147 1.00 0.00 C ATOM 649 SG CYS A 38 7.174 -4.072 -3.895 1.00 0.00 S ATOM 0 H CYS A 38 6.091 -5.828 -7.838 1.00 0.00 H new ATOM 0 HA CYS A 38 5.085 -3.670 -6.083 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.532 -5.620 -4.694 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.084 -5.876 -5.467 1.00 0.00 H new ATOM 0 HG CYS A 38 6.527 -2.949 -3.786 1.00 0.00 H new ATOM 655 N LYS A 39 6.945 -2.186 -6.753 1.00 0.00 N ATOM 656 CA LYS A 39 7.965 -1.269 -7.248 1.00 0.00 C ATOM 657 C LYS A 39 8.516 -0.406 -6.119 1.00 0.00 C ATOM 658 O LYS A 39 7.799 0.414 -5.546 1.00 0.00 O ATOM 659 CB LYS A 39 7.388 -0.378 -8.351 1.00 0.00 C ATOM 660 CG LYS A 39 8.438 0.434 -9.088 1.00 0.00 C ATOM 661 CD LYS A 39 7.850 1.139 -10.300 1.00 0.00 C ATOM 662 CE LYS A 39 8.925 1.846 -11.110 1.00 0.00 C ATOM 663 NZ LYS A 39 8.349 2.594 -12.262 1.00 0.00 N ATOM 0 H LYS A 39 6.178 -1.734 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 39 8.782 -1.862 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.854 -1.002 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.657 0.301 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.870 1.171 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.249 -0.221 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.336 0.413 -10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.103 1.863 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.471 2.535 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.645 1.114 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.114 3.062 -12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.850 1.933 -12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.681 3.310 -11.912 1.00 0.00 H new ATOM 677 N MET A 40 9.793 -0.594 -5.804 1.00 0.00 N ATOM 678 CA MET A 40 10.440 0.170 -4.744 1.00 0.00 C ATOM 679 C MET A 40 11.123 1.412 -5.308 1.00 0.00 C ATOM 680 O MET A 40 12.015 1.312 -6.152 1.00 0.00 O ATOM 681 CB MET A 40 11.463 -0.700 -4.010 1.00 0.00 C ATOM 682 CG MET A 40 12.333 0.077 -3.035 1.00 0.00 C ATOM 683 SD MET A 40 13.467 -0.984 -2.118 1.00 0.00 S ATOM 684 CE MET A 40 12.469 -1.388 -0.687 1.00 0.00 C ATOM 0 H MET A 40 10.401 -1.269 -6.268 1.00 0.00 H new ATOM 0 HA MET A 40 9.672 0.488 -4.039 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.937 -1.486 -3.468 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.103 -1.191 -4.743 1.00 0.00 H new ATOM 0 HG2 MET A 40 12.905 0.826 -3.582 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.695 0.613 -2.333 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.090 -1.362 0.209 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.661 -0.663 -0.590 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.048 -2.386 -0.807 1.00 0.00 H new ATOM 694 N ILE A 41 10.698 2.579 -4.838 1.00 0.00 N ATOM 695 CA ILE A 41 11.269 3.840 -5.295 1.00 0.00 C ATOM 696 C ILE A 41 12.136 4.476 -4.213 1.00 0.00 C ATOM 697 O ILE A 41 11.651 4.810 -3.131 1.00 0.00 O ATOM 698 CB ILE A 41 10.172 4.837 -5.712 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.102 4.132 -6.548 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.779 5.998 -6.487 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.182 5.085 -7.280 1.00 0.00 C ATOM 0 H ILE A 41 9.960 2.678 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 41 11.887 3.610 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 41 9.700 5.233 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.590 3.481 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.506 3.493 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.992 6.694 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.507 6.513 -5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.274 5.619 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.449 4.516 -7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.666 5.719 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.767 5.707 -7.957 1.00 0.00 H new ATOM 810 N PRO A 49 12.979 5.963 2.057 1.00 0.00 N ATOM 811 CA PRO A 49 12.437 5.499 0.776 1.00 0.00 C ATOM 812 C PRO A 49 11.022 4.946 0.911 1.00 0.00 C ATOM 813 O PRO A 49 10.487 4.846 2.016 1.00 0.00 O ATOM 814 CB PRO A 49 13.408 4.391 0.361 1.00 0.00 C ATOM 815 CG PRO A 49 13.992 3.900 1.640 1.00 0.00 C ATOM 816 CD PRO A 49 14.063 5.095 2.549 1.00 0.00 C ATOM 0 HA PRO A 49 12.357 6.308 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.892 3.592 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.181 4.772 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.374 3.115 2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.982 3.473 1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.912 4.816 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.033 5.589 2.488 1.00 0.00 H new ATOM 824 N TYR A 50 10.423 4.585 -0.218 1.00 0.00 N ATOM 825 CA TYR A 50 9.069 4.044 -0.225 1.00 0.00 C ATOM 826 C TYR A 50 8.859 3.119 -1.421 1.00 0.00 C ATOM 827 O TYR A 50 9.476 3.296 -2.472 1.00 0.00 O ATOM 828 CB TYR A 50 8.043 5.178 -0.256 1.00 0.00 C ATOM 829 CG TYR A 50 8.038 5.954 -1.554 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.326 5.500 -2.657 1.00 0.00 C ATOM 831 CD2 TYR A 50 8.746 7.144 -1.676 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.319 6.206 -3.843 1.00 0.00 C ATOM 833 CE2 TYR A 50 8.744 7.858 -2.859 1.00 0.00 C ATOM 834 CZ TYR A 50 8.030 7.384 -3.940 1.00 0.00 C ATOM 835 OH TYR A 50 8.024 8.091 -5.120 1.00 0.00 O ATOM 0 H TYR A 50 10.853 4.657 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 50 8.932 3.465 0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.050 4.763 -0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.246 5.863 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.768 4.578 -2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.307 7.517 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.760 5.838 -4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.298 8.782 -2.937 1.00 0.00 H new ATOM 0 HH TYR A 50 8.573 8.897 -5.021 1.00 0.00 H new ATOM 845 N CYS A 51 7.983 2.136 -1.253 1.00 0.00 N ATOM 846 CA CYS A 51 7.689 1.183 -2.316 1.00 0.00 C ATOM 847 C CYS A 51 6.185 0.974 -2.461 1.00 0.00 C ATOM 848 O CYS A 51 5.427 1.168 -1.510 1.00 0.00 O ATOM 849 CB CYS A 51 8.377 -0.155 -2.037 1.00 0.00 C ATOM 850 SG CYS A 51 7.599 -1.124 -0.724 1.00 0.00 S ATOM 0 H CYS A 51 7.463 1.978 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 51 8.072 1.592 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.385 -0.745 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.417 0.032 -1.769 1.00 0.00 H new ATOM 0 HG CYS A 51 6.555 -1.737 -1.198 1.00 0.00 H new ATOM 856 N PHE A 52 5.759 0.581 -3.657 1.00 0.00 N ATOM 857 CA PHE A 52 4.345 0.349 -3.927 1.00 0.00 C ATOM 858 C PHE A 52 4.046 -1.145 -4.015 1.00 0.00 C ATOM 859 O PHE A 52 4.812 -1.909 -4.602 1.00 0.00 O ATOM 860 CB PHE A 52 3.932 1.041 -5.228 1.00 0.00 C ATOM 861 CG PHE A 52 3.989 2.540 -5.154 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.224 3.230 -4.227 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.807 3.258 -6.010 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.274 4.610 -4.157 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.862 4.638 -5.945 1.00 0.00 C ATOM 866 CZ PHE A 52 4.095 5.314 -5.016 1.00 0.00 C ATOM 0 H PHE A 52 6.373 0.417 -4.455 1.00 0.00 H new ATOM 0 HA PHE A 52 3.770 0.769 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.582 0.700 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.918 0.736 -5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.582 2.684 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.409 2.734 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.672 5.137 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.503 5.186 -6.619 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.137 6.392 -4.961 1.00 0.00 H new ATOM 876 N VAL A 53 2.927 -1.554 -3.426 1.00 0.00 N ATOM 877 CA VAL A 53 2.525 -2.955 -3.438 1.00 0.00 C ATOM 878 C VAL A 53 1.116 -3.118 -4.000 1.00 0.00 C ATOM 879 O VAL A 53 0.155 -2.571 -3.460 1.00 0.00 O ATOM 880 CB VAL A 53 2.575 -3.565 -2.025 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.145 -5.024 -2.057 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.970 -3.425 -1.434 1.00 0.00 C ATOM 0 H VAL A 53 2.283 -0.935 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 53 3.232 -3.482 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 53 1.878 -3.020 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.187 -5.438 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.126 -5.095 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.814 -5.586 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.987 -3.861 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.688 -3.944 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.235 -2.370 -1.374 1.00 0.00 H new ATOM 892 N GLU A 54 1.003 -3.876 -5.087 1.00 0.00 N ATOM 893 CA GLU A 54 -0.287 -4.111 -5.721 1.00 0.00 C ATOM 894 C GLU A 54 -0.736 -5.556 -5.525 1.00 0.00 C ATOM 895 O GLU A 54 0.057 -6.488 -5.663 1.00 0.00 O ATOM 896 CB GLU A 54 -0.213 -3.786 -7.215 1.00 0.00 C ATOM 897 CG GLU A 54 -1.537 -3.958 -7.942 1.00 0.00 C ATOM 898 CD GLU A 54 -1.393 -3.849 -9.448 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.643 -4.659 -10.032 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.030 -2.954 -10.041 1.00 0.00 O ATOM 0 H GLU A 54 1.789 -4.337 -5.545 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.019 -3.455 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.129 -2.758 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.534 -4.428 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.962 -4.930 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.240 -3.202 -7.592 1.00 0.00 H new ATOM 907 N PHE A 55 -2.013 -5.735 -5.202 1.00 0.00 N ATOM 908 CA PHE A 55 -2.567 -7.066 -4.984 1.00 0.00 C ATOM 909 C PHE A 55 -3.546 -7.435 -6.095 1.00 0.00 C ATOM 910 O PHE A 55 -4.030 -6.569 -6.824 1.00 0.00 O ATOM 911 CB PHE A 55 -3.268 -7.134 -3.626 1.00 0.00 C ATOM 912 CG PHE A 55 -2.326 -7.346 -2.475 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.992 -8.626 -2.064 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.776 -6.265 -1.805 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.125 -8.824 -1.005 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.910 -6.458 -0.746 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.585 -7.738 -0.345 1.00 0.00 C ATOM 0 H PHE A 55 -2.683 -4.975 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.745 -7.782 -4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.823 -6.209 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.997 -7.944 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.413 -9.478 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.027 -5.261 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.871 -9.827 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.487 -5.607 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.091 -7.890 0.484 1.00 0.00 H new ATOM 927 N TYR A 56 -3.834 -8.727 -6.217 1.00 0.00 N ATOM 928 CA TYR A 56 -4.753 -9.211 -7.239 1.00 0.00 C ATOM 929 C TYR A 56 -6.200 -8.925 -6.851 1.00 0.00 C ATOM 930 O TYR A 56 -7.015 -8.546 -7.692 1.00 0.00 O ATOM 931 CB TYR A 56 -4.560 -10.713 -7.457 1.00 0.00 C ATOM 932 CG TYR A 56 -3.290 -11.058 -8.202 1.00 0.00 C ATOM 933 CD1 TYR A 56 -3.250 -11.042 -9.591 1.00 0.00 C ATOM 934 CD2 TYR A 56 -2.131 -11.403 -7.518 1.00 0.00 C ATOM 935 CE1 TYR A 56 -2.093 -11.358 -10.277 1.00 0.00 C ATOM 936 CE2 TYR A 56 -0.969 -11.718 -8.195 1.00 0.00 C ATOM 937 CZ TYR A 56 -0.955 -11.694 -9.573 1.00 0.00 C ATOM 938 OH TYR A 56 0.200 -12.010 -10.251 1.00 0.00 O ATOM 0 H TYR A 56 -3.444 -9.457 -5.621 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.534 -8.684 -8.167 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.551 -11.214 -6.489 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.414 -11.104 -8.010 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.139 -10.778 -10.144 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.139 -11.425 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.080 -11.342 -11.357 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.076 -11.982 -7.648 1.00 0.00 H new ATOM 0 HH TYR A 56 0.909 -12.222 -9.608 1.00 0.00 H new ATOM 948 N GLU A 57 -6.510 -9.107 -5.571 1.00 0.00 N ATOM 949 CA GLU A 57 -7.859 -8.868 -5.071 1.00 0.00 C ATOM 950 C GLU A 57 -7.878 -7.692 -4.099 1.00 0.00 C ATOM 951 O GLU A 57 -6.848 -7.322 -3.534 1.00 0.00 O ATOM 952 CB GLU A 57 -8.401 -10.122 -4.383 1.00 0.00 C ATOM 953 CG GLU A 57 -8.239 -11.387 -5.208 1.00 0.00 C ATOM 954 CD GLU A 57 -9.397 -11.617 -6.159 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.544 -11.740 -5.680 1.00 0.00 O ATOM 956 OE2 GLU A 57 -9.157 -11.672 -7.384 1.00 0.00 O ATOM 0 H GLU A 57 -5.846 -9.419 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.497 -8.625 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.890 -10.252 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.458 -9.976 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.312 -11.328 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.148 -12.243 -4.539 1.00 0.00 H new ATOM 963 N HIS A 58 -9.057 -7.107 -3.909 1.00 0.00 N ATOM 964 CA HIS A 58 -9.212 -5.973 -3.006 1.00 0.00 C ATOM 965 C HIS A 58 -9.132 -6.423 -1.551 1.00 0.00 C ATOM 966 O HIS A 58 -8.580 -5.723 -0.703 1.00 0.00 O ATOM 967 CB HIS A 58 -10.543 -5.268 -3.263 1.00 0.00 C ATOM 968 CG HIS A 58 -10.884 -4.238 -2.230 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.205 -3.045 -2.104 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.841 -4.227 -1.272 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.727 -2.345 -1.112 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.722 -3.041 -0.591 1.00 0.00 N ATOM 0 H HIS A 58 -9.919 -7.400 -4.369 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.398 -5.274 -3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.509 -4.791 -4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.338 -6.013 -3.298 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.421 -2.749 -2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.563 -5.006 -1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.397 -1.371 -0.783 1.00 0.00 H new ATOM 980 N ARG A 59 -9.689 -7.597 -1.268 1.00 0.00 N ATOM 981 CA ARG A 59 -9.684 -8.139 0.085 1.00 0.00 C ATOM 982 C ARG A 59 -8.256 -8.323 0.591 1.00 0.00 C ATOM 983 O ARG A 59 -7.956 -8.037 1.750 1.00 0.00 O ATOM 984 CB ARG A 59 -10.426 -9.477 0.124 1.00 0.00 C ATOM 985 CG ARG A 59 -9.750 -10.572 -0.684 1.00 0.00 C ATOM 986 CD ARG A 59 -10.750 -11.621 -1.145 1.00 0.00 C ATOM 987 NE ARG A 59 -10.103 -12.716 -1.862 1.00 0.00 N ATOM 988 CZ ARG A 59 -10.757 -13.577 -2.635 1.00 0.00 C ATOM 989 NH1 ARG A 59 -12.069 -13.469 -2.790 1.00 0.00 N ATOM 990 NH2 ARG A 59 -10.098 -14.547 -3.255 1.00 0.00 N ATOM 0 H ARG A 59 -10.149 -8.190 -1.958 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.194 -7.429 0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.514 -9.804 1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.439 -9.332 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.255 -10.134 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.976 -11.046 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.283 -12.018 -0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.493 -11.154 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.094 -12.826 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.579 -12.724 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.569 -14.131 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.088 -14.633 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.601 -15.207 -3.848 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.380 -8.801 -0.287 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.983 -9.022 0.071 1.00 0.00 C ATOM 1006 C ASP A 60 -5.284 -7.700 0.373 1.00 0.00 C ATOM 1007 O ASP A 60 -4.576 -7.575 1.372 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.255 -9.753 -1.058 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.935 -11.054 -1.439 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.759 -11.547 -0.642 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.642 -11.578 -2.534 1.00 0.00 O ATOM 0 H ASP A 60 -7.612 -9.043 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.956 -9.639 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.203 -9.104 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.229 -9.959 -0.752 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.485 -6.717 -0.498 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.875 -5.405 -0.324 1.00 0.00 C ATOM 1018 C ALA A 61 -5.263 -4.793 1.017 1.00 0.00 C ATOM 1019 O ALA A 61 -4.422 -4.229 1.718 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.277 -4.481 -1.464 1.00 0.00 C ATOM 0 H ALA A 61 -6.066 -6.805 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.792 -5.530 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.814 -3.504 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.944 -4.905 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.361 -4.370 -1.477 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.539 -4.907 1.368 1.00 0.00 N ATOM 1027 CA ALA A 62 -7.037 -4.366 2.627 1.00 0.00 C ATOM 1028 C ALA A 62 -6.463 -5.127 3.817 1.00 0.00 C ATOM 1029 O ALA A 62 -6.088 -4.529 4.825 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.557 -4.407 2.654 1.00 0.00 C ATOM 0 H ALA A 62 -7.247 -5.369 0.798 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.712 -3.328 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.915 -4.000 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.952 -3.812 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.895 -5.438 2.551 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.400 -6.449 3.693 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.870 -7.291 4.758 1.00 0.00 C ATOM 1038 C ALA A 63 -4.388 -7.016 4.991 1.00 0.00 C ATOM 1039 O ALA A 63 -3.952 -6.839 6.129 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.090 -8.760 4.427 1.00 0.00 C ATOM 0 H ALA A 63 -6.709 -6.959 2.866 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.405 -7.052 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.689 -9.378 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.157 -8.953 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.581 -9.003 3.494 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.620 -6.981 3.907 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.188 -6.726 3.995 1.00 0.00 C ATOM 1048 C ALA A 64 -1.911 -5.292 4.433 1.00 0.00 C ATOM 1049 O ALA A 64 -0.941 -5.025 5.143 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.518 -7.010 2.658 1.00 0.00 C ATOM 0 H ALA A 64 -3.966 -7.126 2.958 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.771 -7.395 4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.449 -6.815 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.677 -8.053 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.948 -6.365 1.891 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.768 -4.372 4.006 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.617 -2.964 4.353 1.00 0.00 C ATOM 1058 C LEU A 65 -2.661 -2.768 5.864 1.00 0.00 C ATOM 1059 O LEU A 65 -1.781 -2.132 6.445 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.714 -2.132 3.687 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.869 -0.697 4.192 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.818 0.206 3.563 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.267 -0.176 3.898 1.00 0.00 C ATOM 0 H LEU A 65 -3.576 -4.576 3.418 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.646 -2.629 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.517 -2.099 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.665 -2.648 3.821 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.722 -0.694 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.943 1.223 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.824 -0.156 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.933 0.198 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.359 0.846 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.443 -0.193 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.003 -0.807 4.396 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.690 -3.322 6.498 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.847 -3.212 7.942 1.00 0.00 C ATOM 1077 C ALA A 66 -2.762 -3.995 8.674 1.00 0.00 C ATOM 1078 O ALA A 66 -2.208 -3.527 9.668 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.226 -3.698 8.362 1.00 0.00 C ATOM 0 H ALA A 66 -4.427 -3.852 6.033 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.746 -2.161 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.329 -3.610 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.990 -3.092 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.349 -4.741 8.070 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.465 -5.192 8.176 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.446 -6.039 8.781 1.00 0.00 C ATOM 1087 C ALA A 67 -0.063 -5.407 8.660 1.00 0.00 C ATOM 1088 O ALA A 67 0.767 -5.531 9.559 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.456 -7.419 8.138 1.00 0.00 C ATOM 0 H ALA A 67 -2.916 -5.596 7.355 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.678 -6.142 9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.689 -8.041 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.433 -7.880 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.253 -7.325 7.071 1.00 0.00 H new ATOM 1095 N MET A 68 0.177 -4.731 7.541 1.00 0.00 N ATOM 1096 CA MET A 68 1.460 -4.079 7.302 1.00 0.00 C ATOM 1097 C MET A 68 1.420 -2.621 7.747 1.00 0.00 C ATOM 1098 O MET A 68 2.458 -1.972 7.873 1.00 0.00 O ATOM 1099 CB MET A 68 1.831 -4.163 5.821 1.00 0.00 C ATOM 1100 CG MET A 68 1.918 -5.587 5.295 1.00 0.00 C ATOM 1101 SD MET A 68 3.256 -6.527 6.055 1.00 0.00 S ATOM 1102 CE MET A 68 4.622 -5.383 5.867 1.00 0.00 C ATOM 0 H MET A 68 -0.500 -4.620 6.786 1.00 0.00 H new ATOM 0 HA MET A 68 2.218 -4.598 7.888 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.092 -3.614 5.238 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.790 -3.668 5.667 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.972 -6.096 5.478 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.064 -5.563 4.215 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.490 -5.914 5.477 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.340 -4.590 5.174 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.868 -4.948 6.836 1.00 0.00 H new ATOM 1112 N ASN A 69 0.215 -2.112 7.984 1.00 0.00 N ATOM 1113 CA ASN A 69 0.041 -0.730 8.414 1.00 0.00 C ATOM 1114 C ASN A 69 0.802 -0.462 9.709 1.00 0.00 C ATOM 1115 O ASN A 69 0.368 -0.857 10.790 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.444 -0.417 8.609 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.672 0.730 9.573 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -2.335 0.572 10.599 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.123 1.894 9.247 1.00 0.00 N ATOM 0 H ASN A 69 -0.655 -2.636 7.885 1.00 0.00 H new ATOM 0 HA ASN A 69 0.444 -0.081 7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.890 -0.172 7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.954 -1.306 8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.243 2.703 9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.581 1.979 8.387 1.00 0.00 H new ATOM 1126 N GLY A 70 1.942 0.212 9.590 1.00 0.00 N ATOM 1127 CA GLY A 70 2.746 0.522 10.758 1.00 0.00 C ATOM 1128 C GLY A 70 3.373 -0.714 11.374 1.00 0.00 C ATOM 1129 O GLY A 70 3.532 -0.796 12.592 1.00 0.00 O ATOM 0 H GLY A 70 2.323 0.549 8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.532 1.224 10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.124 1.020 11.502 1.00 0.00 H new ATOM 1133 N ARG A 71 3.730 -1.677 10.530 1.00 0.00 N ATOM 1134 CA ARG A 71 4.340 -2.915 10.999 1.00 0.00 C ATOM 1135 C ARG A 71 5.824 -2.712 11.292 1.00 0.00 C ATOM 1136 O ARG A 71 6.432 -1.743 10.837 1.00 0.00 O ATOM 1137 CB ARG A 71 4.162 -4.022 9.959 1.00 0.00 C ATOM 1138 CG ARG A 71 4.068 -5.415 10.561 1.00 0.00 C ATOM 1139 CD ARG A 71 4.181 -6.492 9.494 1.00 0.00 C ATOM 1140 NE ARG A 71 5.566 -6.897 9.269 1.00 0.00 N ATOM 1141 CZ ARG A 71 6.218 -7.750 10.051 1.00 0.00 C ATOM 1142 NH1 ARG A 71 5.614 -8.286 11.103 1.00 0.00 N ATOM 1143 NH2 ARG A 71 7.478 -8.070 9.781 1.00 0.00 N ATOM 0 H ARG A 71 3.607 -1.623 9.519 1.00 0.00 H new ATOM 0 HA ARG A 71 3.841 -3.210 11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.260 -3.824 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.000 -3.992 9.262 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.859 -5.548 11.299 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.120 -5.522 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.593 -7.360 9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.755 -6.124 8.561 1.00 0.00 H new ATOM 0 HE ARG A 71 6.059 -6.503 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.646 -8.044 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.118 -8.941 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.946 -7.661 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.978 -8.725 10.382 1.00 0.00 H new ATOM 1157 N LYS A 72 6.403 -3.634 12.055 1.00 0.00 N ATOM 1158 CA LYS A 72 7.815 -3.558 12.409 1.00 0.00 C ATOM 1159 C LYS A 72 8.657 -4.423 11.476 1.00 0.00 C ATOM 1160 O LYS A 72 8.515 -5.646 11.453 1.00 0.00 O ATOM 1161 CB LYS A 72 8.023 -4.002 13.859 1.00 0.00 C ATOM 1162 CG LYS A 72 7.943 -2.862 14.860 1.00 0.00 C ATOM 1163 CD LYS A 72 9.317 -2.295 15.171 1.00 0.00 C ATOM 1164 CE LYS A 72 9.910 -1.578 13.967 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.710 -2.500 13.112 1.00 0.00 N ATOM 0 H LYS A 72 5.915 -4.443 12.440 1.00 0.00 H new ATOM 0 HA LYS A 72 8.135 -2.521 12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.272 -4.751 14.112 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.997 -4.484 13.947 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.304 -2.073 14.464 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.478 -3.216 15.780 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.245 -1.602 16.009 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.983 -3.101 15.480 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.108 -1.138 13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.542 -0.758 14.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.697 -2.161 12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.691 -2.528 13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.301 -3.455 13.154 1.00 0.00 H new ATOM 1179 N ILE A 73 9.533 -3.780 10.711 1.00 0.00 N ATOM 1180 CA ILE A 73 10.398 -4.491 9.779 1.00 0.00 C ATOM 1181 C ILE A 73 11.833 -3.981 9.862 1.00 0.00 C ATOM 1182 O ILE A 73 12.093 -2.793 9.662 1.00 0.00 O ATOM 1183 CB ILE A 73 9.899 -4.353 8.329 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.500 -4.958 8.189 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.869 -5.024 7.368 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.800 -4.572 6.905 1.00 0.00 C ATOM 0 H ILE A 73 9.662 -2.768 10.719 1.00 0.00 H new ATOM 0 HA ILE A 73 10.371 -5.543 10.064 1.00 0.00 H new ATOM 0 HB ILE A 73 9.844 -3.294 8.079 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.576 -6.044 8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.890 -4.642 9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.502 -4.918 6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.849 -4.553 7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.952 -6.082 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.814 -5.037 6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.692 -3.488 6.861 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.389 -4.913 6.053 1.00 0.00 H new ATOM 1198 N LEU A 74 12.761 -4.884 10.154 1.00 0.00 N ATOM 1199 CA LEU A 74 14.172 -4.526 10.261 1.00 0.00 C ATOM 1200 C LEU A 74 14.387 -3.479 11.350 1.00 0.00 C ATOM 1201 O LEU A 74 15.226 -2.590 11.214 1.00 0.00 O ATOM 1202 CB LEU A 74 14.686 -3.998 8.922 1.00 0.00 C ATOM 1203 CG LEU A 74 14.762 -5.015 7.784 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.235 -4.349 6.501 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.684 -6.168 8.159 1.00 0.00 C ATOM 0 H LEU A 74 12.563 -5.870 10.321 1.00 0.00 H new ATOM 0 HA LEU A 74 14.730 -5.423 10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.042 -3.177 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.681 -3.581 9.077 1.00 0.00 H new ATOM 0 HG LEU A 74 13.762 -5.415 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.283 -5.090 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.537 -3.559 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.225 -3.920 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.726 -6.882 7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.685 -5.784 8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.302 -6.664 9.051 1.00 0.00 H new ATOM 1217 N GLY A 75 13.622 -3.592 12.432 1.00 0.00 N ATOM 1218 CA GLY A 75 13.745 -2.651 13.530 1.00 0.00 C ATOM 1219 C GLY A 75 13.113 -1.308 13.215 1.00 0.00 C ATOM 1220 O GLY A 75 13.013 -0.443 14.085 1.00 0.00 O ATOM 0 H GLY A 75 12.919 -4.319 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.275 -3.071 14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.800 -2.507 13.765 1.00 0.00 H new ATOM 1224 N LYS A 76 12.690 -1.133 11.969 1.00 0.00 N ATOM 1225 CA LYS A 76 12.065 0.113 11.540 1.00 0.00 C ATOM 1226 C LYS A 76 10.593 -0.105 11.200 1.00 0.00 C ATOM 1227 O LYS A 76 10.251 -1.015 10.447 1.00 0.00 O ATOM 1228 CB LYS A 76 12.801 0.686 10.327 1.00 0.00 C ATOM 1229 CG LYS A 76 12.447 2.132 10.028 1.00 0.00 C ATOM 1230 CD LYS A 76 13.388 2.734 8.997 1.00 0.00 C ATOM 1231 CE LYS A 76 14.610 3.356 9.655 1.00 0.00 C ATOM 1232 NZ LYS A 76 15.624 2.330 10.022 1.00 0.00 N ATOM 0 H LYS A 76 12.768 -1.839 11.237 1.00 0.00 H new ATOM 0 HA LYS A 76 12.128 0.824 12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.875 0.611 10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.572 0.077 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.421 2.189 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.491 2.716 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.704 1.961 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.859 3.492 8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.057 4.083 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.304 3.900 10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.573 2.755 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.429 1.976 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.580 1.541 9.346 1.00 0.00 H new ATOM 1246 N GLU A 77 9.730 0.738 11.758 1.00 0.00 N ATOM 1247 CA GLU A 77 8.298 0.637 11.512 1.00 0.00 C ATOM 1248 C GLU A 77 7.939 1.206 10.142 1.00 0.00 C ATOM 1249 O GLU A 77 8.322 2.326 9.803 1.00 0.00 O ATOM 1250 CB GLU A 77 7.516 1.374 12.602 1.00 0.00 C ATOM 1251 CG GLU A 77 6.149 0.775 12.882 1.00 0.00 C ATOM 1252 CD GLU A 77 5.288 1.669 13.754 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.709 1.978 14.887 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.191 2.060 13.300 1.00 0.00 O ATOM 0 H GLU A 77 9.998 1.498 12.383 1.00 0.00 H new ATOM 0 HA GLU A 77 8.027 -0.419 11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.100 1.370 13.522 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.393 2.416 12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.636 0.592 11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.273 -0.192 13.370 1.00 0.00 H new ATOM 1261 N VAL A 78 7.202 0.426 9.358 1.00 0.00 N ATOM 1262 CA VAL A 78 6.792 0.851 8.025 1.00 0.00 C ATOM 1263 C VAL A 78 5.317 1.239 8.002 1.00 0.00 C ATOM 1264 O VAL A 78 4.476 0.563 8.594 1.00 0.00 O ATOM 1265 CB VAL A 78 7.035 -0.257 6.983 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.357 -0.961 7.251 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.883 -1.251 6.982 1.00 0.00 C ATOM 0 H VAL A 78 6.877 -0.504 9.623 1.00 0.00 H new ATOM 0 HA VAL A 78 7.398 1.720 7.769 1.00 0.00 H new ATOM 0 HB VAL A 78 7.088 0.202 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.512 -1.741 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.172 -0.239 7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.336 -1.409 8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.072 -2.026 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.795 -1.707 7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.956 -0.733 6.737 1.00 0.00 H new ATOM 1277 N LYS A 79 5.010 2.333 7.314 1.00 0.00 N ATOM 1278 CA LYS A 79 3.637 2.813 7.211 1.00 0.00 C ATOM 1279 C LYS A 79 3.024 2.424 5.870 1.00 0.00 C ATOM 1280 O LYS A 79 3.620 2.649 4.815 1.00 0.00 O ATOM 1281 CB LYS A 79 3.592 4.333 7.383 1.00 0.00 C ATOM 1282 CG LYS A 79 4.421 5.086 6.357 1.00 0.00 C ATOM 1283 CD LYS A 79 4.448 6.577 6.648 1.00 0.00 C ATOM 1284 CE LYS A 79 5.401 7.310 5.716 1.00 0.00 C ATOM 1285 NZ LYS A 79 5.073 8.759 5.616 1.00 0.00 N ATOM 0 H LYS A 79 5.694 2.905 6.819 1.00 0.00 H new ATOM 0 HA LYS A 79 3.055 2.346 8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.557 4.667 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.946 4.588 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.439 4.696 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.011 4.916 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.444 6.988 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.750 6.741 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.423 7.193 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.359 6.859 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.745 9.223 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.107 8.872 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.138 9.195 6.558 1.00 0.00 H new ATOM 1299 N VAL A 80 1.830 1.841 5.916 1.00 0.00 N ATOM 1300 CA VAL A 80 1.136 1.424 4.704 1.00 0.00 C ATOM 1301 C VAL A 80 -0.250 2.051 4.622 1.00 0.00 C ATOM 1302 O VAL A 80 -1.041 1.960 5.560 1.00 0.00 O ATOM 1303 CB VAL A 80 0.999 -0.109 4.636 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.403 -0.533 3.302 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.347 -0.775 4.863 1.00 0.00 C ATOM 0 H VAL A 80 1.324 1.647 6.780 1.00 0.00 H new ATOM 0 HA VAL A 80 1.737 1.766 3.861 1.00 0.00 H new ATOM 0 HB VAL A 80 0.323 -0.431 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.314 -1.619 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.584 -0.084 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.051 -0.200 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.231 -1.858 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.048 -0.448 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.729 -0.497 5.845 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.539 2.688 3.492 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.832 3.332 3.286 1.00 0.00 C ATOM 1317 C ASN A 81 -2.321 3.126 1.855 1.00 0.00 C ATOM 1318 O ASN A 81 -1.536 2.814 0.960 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.734 4.828 3.593 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.075 5.430 3.969 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.855 5.826 3.102 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.349 5.500 5.266 1.00 0.00 N ATOM 0 H ASN A 81 0.104 2.772 2.705 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.551 2.874 3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.028 4.983 4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.336 5.350 2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.236 5.894 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.673 5.159 5.949 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.621 3.303 1.650 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.214 3.137 0.327 1.00 0.00 C ATOM 1331 C TRP A 82 -3.656 4.163 -0.652 1.00 0.00 C ATOM 1332 O TRP A 82 -3.769 5.369 -0.434 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.737 3.267 0.409 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.400 2.085 1.046 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.922 2.018 2.308 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.612 0.799 0.455 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.445 0.768 2.534 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.268 0.001 1.412 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.313 0.243 -0.792 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.627 -1.320 1.161 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.671 -1.068 -1.041 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.323 -1.838 -0.068 1.00 0.00 C ATOM 0 H TRP A 82 -4.284 3.561 2.381 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.960 2.141 -0.036 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.988 4.164 0.975 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.138 3.402 -0.596 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.923 2.828 3.022 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.893 0.460 3.397 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.811 0.828 -1.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.128 -1.915 1.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.445 -1.507 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.590 -2.860 -0.293 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.054 3.677 -1.733 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.480 4.552 -2.748 1.00 0.00 C ATOM 1355 C ALA A 83 -3.568 5.148 -3.637 1.00 0.00 C ATOM 1356 O ALA A 83 -3.765 6.363 -3.664 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.467 3.791 -3.588 1.00 0.00 C ATOM 0 H ALA A 83 -2.951 2.681 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.972 5.372 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.046 4.456 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.668 3.419 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.959 2.951 -4.079 1.00 0.00 H new