USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 851 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 62 ASN : amide:sc= -10.9! C(o=-12!,f=-19!) USER MOD Set 1.2: A 86 THR OG1 : rot -105:sc= -0.926! USER MOD Single : A 18 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -103:sc= -0.606 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -4.99! C(o=-5!,f=-3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 40 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 68 SER OG : rot 112:sc= 0.0654 USER MOD Single : A 69 TYR OH : rot 180:sc= -2.93! USER MOD Single : A 79 ASN : amide:sc= -8.08! C(o=-8.1!,f=-6.1!) USER MOD Single : A 88 TYR OH : rot 30:sc= -0.374 USER MOD Single : A 90 SER OG : rot 18:sc= 0.228 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 103:sc= -0.567! USER MOD Single : A 97 TYR OH : rot 30:sc= -0.17 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -3.18! K(o=-3.2!,f=-1.6) USER MOD Single : A 104 THR OG1 : rot -141:sc= -0.338! USER MOD Single : A 105 LYS NZ :NH3+ 149:sc= -1.46 (180deg=-3.67!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.266 USER MOD Single : A 118 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 3.804 10.779 4.553 1.00 0.00 N ATOM 133 CA LEU A 9 3.316 9.380 4.400 1.00 0.00 C ATOM 134 C LEU A 9 3.504 8.891 2.958 1.00 0.00 C ATOM 135 O LEU A 9 3.672 9.671 2.040 1.00 0.00 O ATOM 136 CB LEU A 9 1.823 9.451 4.742 1.00 0.00 C ATOM 137 CG LEU A 9 1.625 9.476 6.263 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.629 10.432 6.912 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.206 9.955 6.578 1.00 0.00 C ATOM 0 HA LEU A 9 3.861 8.686 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.383 10.343 4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.304 8.593 4.315 1.00 0.00 H new ATOM 0 HG LEU A 9 1.780 8.472 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.478 10.441 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.643 10.100 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.482 11.437 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.060 9.975 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.062 10.957 6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.516 9.275 6.127 1.00 0.00 H new ATOM 151 N ARG A 10 3.462 7.599 2.758 1.00 0.00 N ATOM 152 CA ARG A 10 3.615 7.036 1.382 1.00 0.00 C ATOM 153 C ARG A 10 2.946 5.666 1.316 1.00 0.00 C ATOM 154 O ARG A 10 2.448 5.153 2.297 1.00 0.00 O ATOM 155 CB ARG A 10 5.116 6.898 1.110 1.00 0.00 C ATOM 156 CG ARG A 10 5.327 6.692 -0.408 1.00 0.00 C ATOM 157 CD ARG A 10 6.065 7.876 -1.029 1.00 0.00 C ATOM 158 NE ARG A 10 6.979 7.276 -2.039 1.00 0.00 N ATOM 159 CZ ARG A 10 7.924 7.995 -2.586 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.956 9.286 -2.402 1.00 0.00 N ATOM 161 NH2 ARG A 10 8.836 7.414 -3.319 1.00 0.00 N ATOM 0 H ARG A 10 3.327 6.905 3.493 1.00 0.00 H new ATOM 0 HA ARG A 10 3.149 7.684 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.645 7.789 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.525 6.055 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.894 5.777 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.362 6.564 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.369 8.575 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.621 8.433 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 10 6.867 6.298 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.242 9.737 -1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.695 9.844 -2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.808 6.404 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.576 7.970 -3.748 1.00 0.00 H new ATOM 175 N VAL A 11 2.913 5.079 0.161 1.00 0.00 N ATOM 176 CA VAL A 11 2.262 3.754 0.014 1.00 0.00 C ATOM 177 C VAL A 11 3.285 2.665 -0.334 1.00 0.00 C ATOM 178 O VAL A 11 3.793 2.600 -1.438 1.00 0.00 O ATOM 179 CB VAL A 11 1.290 3.968 -1.137 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.331 5.102 -0.772 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.080 4.362 -2.389 1.00 0.00 C ATOM 0 H VAL A 11 3.312 5.462 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 11 1.778 3.418 0.931 1.00 0.00 H new ATOM 0 HB VAL A 11 0.728 3.054 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.370 5.263 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.220 4.836 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.898 6.016 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.392 4.518 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.631 5.283 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.781 3.566 -2.643 1.00 0.00 H new ATOM 191 N LEU A 12 3.579 1.790 0.588 1.00 0.00 N ATOM 192 CA LEU A 12 4.542 0.703 0.278 1.00 0.00 C ATOM 193 C LEU A 12 3.792 -0.384 -0.498 1.00 0.00 C ATOM 194 O LEU A 12 3.021 -1.128 0.059 1.00 0.00 O ATOM 195 CB LEU A 12 5.006 0.172 1.635 1.00 0.00 C ATOM 196 CG LEU A 12 6.019 1.131 2.278 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.365 1.013 1.565 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.518 2.574 2.177 1.00 0.00 C ATOM 0 H LEU A 12 3.197 1.782 1.534 1.00 0.00 H new ATOM 0 HA LEU A 12 5.391 1.033 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.147 0.047 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.458 -0.812 1.510 1.00 0.00 H new ATOM 0 HG LEU A 12 6.136 0.865 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.081 1.695 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.733 -0.010 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.243 1.270 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.245 3.244 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.389 2.842 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.563 2.665 2.694 1.00 0.00 H new ATOM 210 N VAL A 13 3.989 -0.479 -1.779 1.00 0.00 N ATOM 211 CA VAL A 13 3.248 -1.513 -2.557 1.00 0.00 C ATOM 212 C VAL A 13 4.238 -2.433 -3.248 1.00 0.00 C ATOM 213 O VAL A 13 5.160 -1.984 -3.892 1.00 0.00 O ATOM 214 CB VAL A 13 2.427 -0.722 -3.573 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.396 -1.641 -4.231 1.00 0.00 C ATOM 216 CG2 VAL A 13 1.706 0.422 -2.855 1.00 0.00 C ATOM 0 H VAL A 13 4.624 0.107 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 13 2.612 -2.142 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 13 3.088 -0.318 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.812 -1.073 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.908 -2.458 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.732 -2.048 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.118 0.991 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.046 0.013 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.440 1.078 -2.387 1.00 0.00 H new ATOM 226 N VAL A 14 4.084 -3.716 -3.109 1.00 0.00 N ATOM 227 CA VAL A 14 5.073 -4.614 -3.749 1.00 0.00 C ATOM 228 C VAL A 14 4.464 -5.931 -4.241 1.00 0.00 C ATOM 229 O VAL A 14 3.430 -6.381 -3.774 1.00 0.00 O ATOM 230 CB VAL A 14 6.075 -4.898 -2.641 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.794 -3.615 -2.228 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.348 -5.491 -1.431 1.00 0.00 C ATOM 0 H VAL A 14 3.333 -4.173 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 14 5.502 -4.149 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 14 6.813 -5.610 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.507 -3.837 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.324 -3.202 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.065 -2.889 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.068 -5.694 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.602 -4.782 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.856 -6.420 -1.721 1.00 0.00 H new ATOM 242 N GLU A 15 5.154 -6.553 -5.168 1.00 0.00 N ATOM 243 CA GLU A 15 4.727 -7.868 -5.730 1.00 0.00 C ATOM 244 C GLU A 15 5.778 -8.353 -6.746 1.00 0.00 C ATOM 245 O GLU A 15 6.561 -7.597 -7.276 1.00 0.00 O ATOM 246 CB GLU A 15 3.337 -7.649 -6.366 1.00 0.00 C ATOM 247 CG GLU A 15 3.241 -8.246 -7.783 1.00 0.00 C ATOM 248 CD GLU A 15 1.935 -9.022 -7.915 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.894 -8.430 -7.706 1.00 0.00 O ATOM 250 OE2 GLU A 15 1.997 -10.199 -8.220 1.00 0.00 O ATOM 0 H GLU A 15 6.020 -6.190 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 15 4.652 -8.644 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.574 -8.101 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.124 -6.581 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.282 -7.452 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.089 -8.904 -7.971 1.00 0.00 H new ATOM 257 N ASP A 16 5.789 -9.621 -6.984 1.00 0.00 N ATOM 258 CA ASP A 16 6.762 -10.255 -7.926 1.00 0.00 C ATOM 259 C ASP A 16 7.172 -9.397 -9.142 1.00 0.00 C ATOM 260 O ASP A 16 8.184 -9.669 -9.758 1.00 0.00 O ATOM 261 CB ASP A 16 6.009 -11.475 -8.430 1.00 0.00 C ATOM 262 CG ASP A 16 4.660 -11.028 -9.017 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.631 -10.011 -9.694 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.676 -11.704 -8.775 1.00 0.00 O ATOM 0 H ASP A 16 5.141 -10.280 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 16 7.700 -10.444 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.596 -11.992 -9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.849 -12.181 -7.615 1.00 0.00 H new ATOM 269 N GLU A 17 6.411 -8.419 -9.551 1.00 0.00 N ATOM 270 CA GLU A 17 6.827 -7.668 -10.780 1.00 0.00 C ATOM 271 C GLU A 17 7.052 -6.177 -10.525 1.00 0.00 C ATOM 272 O GLU A 17 6.735 -5.646 -9.479 1.00 0.00 O ATOM 273 CB GLU A 17 5.682 -7.869 -11.774 1.00 0.00 C ATOM 274 CG GLU A 17 4.412 -7.205 -11.243 1.00 0.00 C ATOM 275 CD GLU A 17 3.212 -7.659 -12.078 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.790 -8.792 -11.910 1.00 0.00 O ATOM 277 OE2 GLU A 17 2.737 -6.866 -12.875 1.00 0.00 O ATOM 0 H GLU A 17 5.546 -8.111 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 17 7.783 -8.041 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.949 -7.443 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.508 -8.933 -11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.261 -7.469 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.510 -6.120 -11.287 1.00 0.00 H new ATOM 284 N SER A 18 7.606 -5.505 -11.505 1.00 0.00 N ATOM 285 CA SER A 18 7.874 -4.045 -11.380 1.00 0.00 C ATOM 286 C SER A 18 6.659 -3.240 -11.851 1.00 0.00 C ATOM 287 O SER A 18 6.582 -2.045 -11.646 1.00 0.00 O ATOM 288 CB SER A 18 9.071 -3.783 -12.293 1.00 0.00 C ATOM 289 OG SER A 18 9.173 -2.387 -12.545 1.00 0.00 O ATOM 0 H SER A 18 7.886 -5.915 -12.396 1.00 0.00 H new ATOM 0 HA SER A 18 8.072 -3.750 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.986 -4.148 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.953 -4.326 -13.231 1.00 0.00 H new ATOM 0 HG SER A 18 9.941 -2.215 -13.129 1.00 0.00 H new ATOM 295 N MET A 19 5.702 -3.881 -12.469 1.00 0.00 N ATOM 296 CA MET A 19 4.494 -3.135 -12.927 1.00 0.00 C ATOM 297 C MET A 19 3.970 -2.290 -11.768 1.00 0.00 C ATOM 298 O MET A 19 3.314 -1.284 -11.953 1.00 0.00 O ATOM 299 CB MET A 19 3.478 -4.215 -13.312 1.00 0.00 C ATOM 300 CG MET A 19 2.214 -3.555 -13.867 1.00 0.00 C ATOM 301 SD MET A 19 2.231 -3.646 -15.675 1.00 0.00 S ATOM 302 CE MET A 19 1.748 -1.932 -15.988 1.00 0.00 C ATOM 0 H MET A 19 5.704 -4.880 -12.675 1.00 0.00 H new ATOM 0 HA MET A 19 4.696 -2.466 -13.763 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.908 -4.884 -14.057 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.231 -4.823 -12.442 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.328 -4.054 -13.475 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.162 -2.515 -13.545 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.694 -1.760 -17.063 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.772 -1.741 -15.541 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.486 -1.260 -15.549 1.00 0.00 H new ATOM 312 N ILE A 20 4.272 -2.700 -10.568 1.00 0.00 N ATOM 313 CA ILE A 20 3.817 -1.946 -9.367 1.00 0.00 C ATOM 314 C ILE A 20 4.852 -0.883 -8.998 1.00 0.00 C ATOM 315 O ILE A 20 4.588 0.025 -8.234 1.00 0.00 O ATOM 316 CB ILE A 20 3.726 -3.006 -8.270 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.289 -2.350 -6.961 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.091 -3.672 -8.075 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.675 -3.412 -6.047 1.00 0.00 C ATOM 0 H ILE A 20 4.821 -3.535 -10.366 1.00 0.00 H new ATOM 0 HA ILE A 20 2.871 -1.429 -9.524 1.00 0.00 H new ATOM 0 HB ILE A 20 2.996 -3.761 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.143 -1.882 -6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.564 -1.561 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.019 -4.427 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.402 -4.145 -9.007 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.825 -2.919 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.361 -2.949 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.811 -3.859 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.415 -4.185 -5.839 1.00 0.00 H new ATOM 331 N ALA A 21 6.031 -1.002 -9.537 1.00 0.00 N ATOM 332 CA ALA A 21 7.106 -0.021 -9.230 1.00 0.00 C ATOM 333 C ALA A 21 6.834 1.321 -9.925 1.00 0.00 C ATOM 334 O ALA A 21 6.422 2.279 -9.302 1.00 0.00 O ATOM 335 CB ALA A 21 8.376 -0.668 -9.777 1.00 0.00 C ATOM 0 H ALA A 21 6.298 -1.744 -10.183 1.00 0.00 H new ATOM 0 HA ALA A 21 7.177 0.198 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.227 -0.011 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.541 -1.623 -9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.268 -0.832 -10.849 1.00 0.00 H new ATOM 341 N MET A 22 7.060 1.406 -11.210 1.00 0.00 N ATOM 342 CA MET A 22 6.813 2.694 -11.915 1.00 0.00 C ATOM 343 C MET A 22 5.341 3.083 -11.784 1.00 0.00 C ATOM 344 O MET A 22 4.979 4.236 -11.906 1.00 0.00 O ATOM 345 CB MET A 22 7.190 2.429 -13.377 1.00 0.00 C ATOM 346 CG MET A 22 7.175 3.741 -14.165 1.00 0.00 C ATOM 347 SD MET A 22 8.842 4.450 -14.198 1.00 0.00 S ATOM 348 CE MET A 22 9.287 3.921 -15.873 1.00 0.00 C ATOM 0 H MET A 22 7.402 0.645 -11.796 1.00 0.00 H new ATOM 0 HA MET A 22 7.393 3.518 -11.500 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.179 1.974 -13.430 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.490 1.721 -13.820 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.825 3.562 -15.182 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.479 4.444 -13.707 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.297 4.259 -16.105 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.245 2.834 -15.934 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.587 4.352 -16.589 1.00 0.00 H new ATOM 358 N LEU A 23 4.493 2.131 -11.509 1.00 0.00 N ATOM 359 CA LEU A 23 3.045 2.441 -11.339 1.00 0.00 C ATOM 360 C LEU A 23 2.851 3.226 -10.033 1.00 0.00 C ATOM 361 O LEU A 23 1.768 3.677 -9.718 1.00 0.00 O ATOM 362 CB LEU A 23 2.372 1.058 -11.290 1.00 0.00 C ATOM 363 CG LEU A 23 0.948 1.139 -10.722 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.002 1.295 -9.202 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.196 2.322 -11.336 1.00 0.00 C ATOM 0 H LEU A 23 4.741 1.148 -11.394 1.00 0.00 H new ATOM 0 HA LEU A 23 2.623 3.057 -12.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.340 0.633 -12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.970 0.384 -10.677 1.00 0.00 H new ATOM 0 HG LEU A 23 0.420 0.219 -10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.012 1.352 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.514 0.437 -8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.542 2.207 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.812 2.366 -10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.723 3.248 -11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.140 2.196 -12.417 1.00 0.00 H new ATOM 377 N ILE A 24 3.908 3.396 -9.275 1.00 0.00 N ATOM 378 CA ILE A 24 3.809 4.145 -7.990 1.00 0.00 C ATOM 379 C ILE A 24 4.417 5.546 -8.128 1.00 0.00 C ATOM 380 O ILE A 24 3.829 6.535 -7.737 1.00 0.00 O ATOM 381 CB ILE A 24 4.600 3.282 -6.989 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.919 3.349 -5.623 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.050 3.763 -6.837 1.00 0.00 C ATOM 384 CD1 ILE A 24 3.604 1.932 -5.145 1.00 0.00 C ATOM 0 H ILE A 24 4.840 3.044 -9.496 1.00 0.00 H new ATOM 0 HA ILE A 24 2.779 4.302 -7.671 1.00 0.00 H new ATOM 0 HB ILE A 24 4.616 2.261 -7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.567 3.852 -4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.002 3.935 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.571 3.127 -6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.553 3.712 -7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.056 4.792 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.118 1.976 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.940 1.446 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.529 1.361 -5.063 1.00 0.00 H new ATOM 396 N GLU A 25 5.598 5.632 -8.673 1.00 0.00 N ATOM 397 CA GLU A 25 6.259 6.958 -8.824 1.00 0.00 C ATOM 398 C GLU A 25 5.381 7.917 -9.635 1.00 0.00 C ATOM 399 O GLU A 25 5.589 9.116 -9.634 1.00 0.00 O ATOM 400 CB GLU A 25 7.559 6.652 -9.566 1.00 0.00 C ATOM 401 CG GLU A 25 8.508 5.889 -8.637 1.00 0.00 C ATOM 402 CD GLU A 25 9.867 5.719 -9.318 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.413 6.714 -9.765 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.339 4.596 -9.381 1.00 0.00 O ATOM 0 H GLU A 25 6.136 4.838 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 25 6.433 7.446 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.351 6.060 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.026 7.578 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.626 6.429 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.088 4.913 -8.393 1.00 0.00 H new ATOM 411 N ASP A 26 4.405 7.403 -10.329 1.00 0.00 N ATOM 412 CA ASP A 26 3.528 8.294 -11.139 1.00 0.00 C ATOM 413 C ASP A 26 2.323 8.753 -10.320 1.00 0.00 C ATOM 414 O ASP A 26 1.772 9.812 -10.547 1.00 0.00 O ATOM 415 CB ASP A 26 3.098 7.444 -12.337 1.00 0.00 C ATOM 416 CG ASP A 26 1.991 6.473 -11.916 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.271 5.602 -11.109 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.885 6.614 -12.410 1.00 0.00 O ATOM 0 H ASP A 26 4.177 6.410 -10.371 1.00 0.00 H new ATOM 0 HA ASP A 26 4.040 9.203 -11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.743 8.087 -13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.952 6.889 -12.726 1.00 0.00 H new ATOM 423 N THR A 27 1.939 7.994 -9.339 1.00 0.00 N ATOM 424 CA THR A 27 0.815 8.415 -8.476 1.00 0.00 C ATOM 425 C THR A 27 1.445 9.088 -7.271 1.00 0.00 C ATOM 426 O THR A 27 0.932 10.031 -6.695 1.00 0.00 O ATOM 427 CB THR A 27 0.091 7.124 -8.092 1.00 0.00 C ATOM 428 OG1 THR A 27 1.029 6.057 -8.047 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.990 6.814 -9.131 1.00 0.00 C ATOM 0 H THR A 27 2.359 7.096 -9.098 1.00 0.00 H new ATOM 0 HA THR A 27 0.109 9.104 -8.940 1.00 0.00 H new ATOM 0 HB THR A 27 -0.375 7.243 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.933 5.503 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.505 5.894 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.707 7.635 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.529 6.693 -10.111 1.00 0.00 H new ATOM 437 N LEU A 28 2.604 8.606 -6.931 1.00 0.00 N ATOM 438 CA LEU A 28 3.378 9.171 -5.809 1.00 0.00 C ATOM 439 C LEU A 28 3.879 10.552 -6.230 1.00 0.00 C ATOM 440 O LEU A 28 4.144 11.413 -5.415 1.00 0.00 O ATOM 441 CB LEU A 28 4.547 8.192 -5.654 1.00 0.00 C ATOM 442 CG LEU A 28 4.090 6.787 -5.196 1.00 0.00 C ATOM 443 CD1 LEU A 28 4.574 6.553 -3.768 1.00 0.00 C ATOM 444 CD2 LEU A 28 2.560 6.630 -5.239 1.00 0.00 C ATOM 0 H LEU A 28 3.055 7.821 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 28 2.817 9.288 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.073 8.107 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.258 8.592 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 28 4.518 6.055 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.258 5.565 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.662 6.615 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.149 7.312 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.288 5.628 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.100 7.367 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.207 6.785 -6.259 1.00 0.00 H new ATOM 456 N CYS A 29 3.999 10.761 -7.518 1.00 0.00 N ATOM 457 CA CYS A 29 4.467 12.077 -8.032 1.00 0.00 C ATOM 458 C CYS A 29 3.491 13.175 -7.605 1.00 0.00 C ATOM 459 O CYS A 29 3.815 14.040 -6.814 1.00 0.00 O ATOM 460 CB CYS A 29 4.473 11.927 -9.554 1.00 0.00 C ATOM 461 SG CYS A 29 6.032 12.565 -10.217 1.00 0.00 S ATOM 0 H CYS A 29 3.790 10.069 -8.237 1.00 0.00 H new ATOM 0 HA CYS A 29 5.450 12.351 -7.648 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.351 10.879 -9.827 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.632 12.469 -9.987 1.00 0.00 H new ATOM 0 HG CYS A 29 6.039 12.436 -11.511 1.00 0.00 H new ATOM 467 N GLU A 30 2.291 13.141 -8.123 1.00 0.00 N ATOM 468 CA GLU A 30 1.285 14.175 -7.748 1.00 0.00 C ATOM 469 C GLU A 30 1.299 14.388 -6.234 1.00 0.00 C ATOM 470 O GLU A 30 1.477 15.489 -5.754 1.00 0.00 O ATOM 471 CB GLU A 30 -0.065 13.607 -8.201 1.00 0.00 C ATOM 472 CG GLU A 30 -1.202 14.486 -7.665 1.00 0.00 C ATOM 473 CD GLU A 30 -1.491 15.617 -8.654 1.00 0.00 C ATOM 474 OE1 GLU A 30 -0.643 15.880 -9.491 1.00 0.00 O ATOM 475 OE2 GLU A 30 -2.558 16.201 -8.558 1.00 0.00 O ATOM 0 H GLU A 30 1.965 12.441 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 30 1.490 15.140 -8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.106 13.566 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.181 12.585 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.099 13.885 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.928 14.900 -6.695 1.00 0.00 H new ATOM 482 N LEU A 31 1.116 13.342 -5.475 1.00 0.00 N ATOM 483 CA LEU A 31 1.123 13.498 -3.994 1.00 0.00 C ATOM 484 C LEU A 31 2.537 13.823 -3.506 1.00 0.00 C ATOM 485 O LEU A 31 2.723 14.391 -2.448 1.00 0.00 O ATOM 486 CB LEU A 31 0.664 12.148 -3.441 1.00 0.00 C ATOM 487 CG LEU A 31 -0.848 12.007 -3.628 1.00 0.00 C ATOM 488 CD1 LEU A 31 -1.161 11.688 -5.091 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.369 10.873 -2.741 1.00 0.00 C ATOM 0 H LEU A 31 0.963 12.392 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 31 0.475 14.310 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.182 11.338 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.919 12.070 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.332 12.943 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.239 11.589 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.793 12.494 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.675 10.754 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.446 10.773 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.880 9.939 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.152 11.099 -1.697 1.00 0.00 H new ATOM 501 N GLY A 32 3.536 13.454 -4.262 1.00 0.00 N ATOM 502 CA GLY A 32 4.932 13.731 -3.828 1.00 0.00 C ATOM 503 C GLY A 32 5.083 13.252 -2.390 1.00 0.00 C ATOM 504 O GLY A 32 5.544 13.969 -1.523 1.00 0.00 O ATOM 0 H GLY A 32 3.445 12.975 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.642 13.218 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.149 14.797 -3.899 1.00 0.00 H new ATOM 508 N HIS A 33 4.676 12.042 -2.128 1.00 0.00 N ATOM 509 CA HIS A 33 4.767 11.507 -0.740 1.00 0.00 C ATOM 510 C HIS A 33 6.244 11.363 -0.317 1.00 0.00 C ATOM 511 O HIS A 33 7.074 12.159 -0.708 1.00 0.00 O ATOM 512 CB HIS A 33 4.026 10.173 -0.811 1.00 0.00 C ATOM 513 CG HIS A 33 2.590 10.388 -0.423 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.568 9.589 -0.907 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.989 11.314 0.392 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.415 10.047 -0.385 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.616 11.097 0.415 1.00 0.00 N ATOM 0 H HIS A 33 4.284 11.399 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 33 4.326 12.159 0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.086 9.763 -1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.492 9.448 -0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.505 12.093 0.934 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.555 9.617 -0.588 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.087 11.626 0.932 1.00 0.00 H new ATOM 525 N GLU A 34 6.592 10.387 0.493 1.00 0.00 N ATOM 526 CA GLU A 34 8.026 10.272 0.925 1.00 0.00 C ATOM 527 C GLU A 34 8.745 9.097 0.243 1.00 0.00 C ATOM 528 O GLU A 34 9.602 9.290 -0.596 1.00 0.00 O ATOM 529 CB GLU A 34 7.971 10.055 2.436 1.00 0.00 C ATOM 530 CG GLU A 34 9.391 9.863 2.969 1.00 0.00 C ATOM 531 CD GLU A 34 9.384 9.980 4.494 1.00 0.00 C ATOM 532 OE1 GLU A 34 8.346 9.727 5.083 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.416 10.323 5.046 1.00 0.00 O ATOM 0 H GLU A 34 5.960 9.679 0.867 1.00 0.00 H new ATOM 0 HA GLU A 34 8.588 11.164 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.500 10.910 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.362 9.182 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.774 8.887 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.056 10.612 2.539 1.00 0.00 H new ATOM 540 N VAL A 35 8.405 7.883 0.589 1.00 0.00 N ATOM 541 CA VAL A 35 9.075 6.713 -0.049 1.00 0.00 C ATOM 542 C VAL A 35 8.135 5.501 -0.004 1.00 0.00 C ATOM 543 O VAL A 35 7.617 5.139 1.034 1.00 0.00 O ATOM 544 CB VAL A 35 10.370 6.506 0.765 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.440 5.094 1.357 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.573 6.721 -0.158 1.00 0.00 C ATOM 0 H VAL A 35 7.695 7.652 1.284 1.00 0.00 H new ATOM 0 HA VAL A 35 9.313 6.862 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 35 10.379 7.221 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.364 4.983 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.588 4.934 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.418 4.360 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.495 6.577 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.535 6.005 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.547 7.734 -0.559 1.00 0.00 H new ATOM 556 N ALA A 36 7.896 4.892 -1.134 1.00 0.00 N ATOM 557 CA ALA A 36 6.974 3.728 -1.183 1.00 0.00 C ATOM 558 C ALA A 36 7.742 2.437 -1.467 1.00 0.00 C ATOM 559 O ALA A 36 8.947 2.377 -1.330 1.00 0.00 O ATOM 560 CB ALA A 36 6.012 4.041 -2.330 1.00 0.00 C ATOM 0 H ALA A 36 8.305 5.155 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 36 6.456 3.577 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.294 3.228 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.481 4.969 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.575 4.150 -3.257 1.00 0.00 H new ATOM 566 N ALA A 37 7.051 1.399 -1.855 1.00 0.00 N ATOM 567 CA ALA A 37 7.750 0.109 -2.139 1.00 0.00 C ATOM 568 C ALA A 37 7.485 -0.355 -3.573 1.00 0.00 C ATOM 569 O ALA A 37 6.432 -0.110 -4.130 1.00 0.00 O ATOM 570 CB ALA A 37 7.161 -0.893 -1.147 1.00 0.00 C ATOM 0 H ALA A 37 6.040 1.386 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 37 8.830 0.210 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.626 -1.868 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.350 -0.551 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.086 -0.976 -1.309 1.00 0.00 H new ATOM 576 N THR A 38 8.449 -1.020 -4.160 1.00 0.00 N ATOM 577 CA THR A 38 8.314 -1.527 -5.558 1.00 0.00 C ATOM 578 C THR A 38 8.593 -3.038 -5.606 1.00 0.00 C ATOM 579 O THR A 38 9.506 -3.528 -4.971 1.00 0.00 O ATOM 580 CB THR A 38 9.378 -0.743 -6.341 1.00 0.00 C ATOM 581 OG1 THR A 38 8.801 0.439 -6.875 1.00 0.00 O ATOM 582 CG2 THR A 38 9.945 -1.600 -7.479 1.00 0.00 C ATOM 0 H THR A 38 9.342 -1.236 -3.718 1.00 0.00 H new ATOM 0 HA THR A 38 7.314 -1.389 -5.968 1.00 0.00 H new ATOM 0 HB THR A 38 10.190 -0.480 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.481 0.939 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.697 -1.030 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.401 -2.499 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.140 -1.881 -8.159 1.00 0.00 H new ATOM 590 N ALA A 39 7.807 -3.767 -6.361 1.00 0.00 N ATOM 591 CA ALA A 39 7.993 -5.248 -6.462 1.00 0.00 C ATOM 592 C ALA A 39 8.052 -5.854 -5.066 1.00 0.00 C ATOM 593 O ALA A 39 8.210 -5.160 -4.101 1.00 0.00 O ATOM 594 CB ALA A 39 9.303 -5.481 -7.202 1.00 0.00 C ATOM 0 H ALA A 39 7.037 -3.395 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 39 7.165 -5.717 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.480 -6.552 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.246 -5.031 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.122 -5.027 -6.644 1.00 0.00 H new ATOM 600 N SER A 40 7.887 -7.140 -4.951 1.00 0.00 N ATOM 601 CA SER A 40 7.901 -7.769 -3.598 1.00 0.00 C ATOM 602 C SER A 40 9.328 -7.920 -3.080 1.00 0.00 C ATOM 603 O SER A 40 10.215 -8.381 -3.771 1.00 0.00 O ATOM 604 CB SER A 40 7.224 -9.124 -3.773 1.00 0.00 C ATOM 605 OG SER A 40 8.143 -10.048 -4.342 1.00 0.00 O ATOM 0 H SER A 40 7.743 -7.783 -5.730 1.00 0.00 H new ATOM 0 HA SER A 40 7.380 -7.157 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.872 -9.493 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.349 -9.024 -4.415 1.00 0.00 H new ATOM 0 HG SER A 40 7.706 -10.918 -4.452 1.00 0.00 H new ATOM 611 N ARG A 41 9.544 -7.523 -1.857 1.00 0.00 N ATOM 612 CA ARG A 41 10.892 -7.618 -1.249 1.00 0.00 C ATOM 613 C ARG A 41 10.748 -7.779 0.264 1.00 0.00 C ATOM 614 O ARG A 41 10.254 -6.903 0.945 1.00 0.00 O ATOM 615 CB ARG A 41 11.569 -6.290 -1.587 1.00 0.00 C ATOM 616 CG ARG A 41 13.083 -6.498 -1.716 1.00 0.00 C ATOM 617 CD ARG A 41 13.392 -7.357 -2.947 1.00 0.00 C ATOM 618 NE ARG A 41 14.813 -7.776 -2.774 1.00 0.00 N ATOM 619 CZ ARG A 41 15.131 -9.043 -2.801 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.469 -9.898 -2.071 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.112 -9.453 -3.558 1.00 0.00 N ATOM 0 H ARG A 41 8.828 -7.130 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 41 11.468 -8.467 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.166 -5.893 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.358 -5.555 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.585 -5.534 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.470 -6.981 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.729 -8.221 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.256 -6.791 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 41 15.538 -7.072 -2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.703 -9.577 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.718 -10.887 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.630 -8.784 -4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.361 -10.442 -3.579 1.00 0.00 H new ATOM 635 N MET A 42 11.159 -8.895 0.794 1.00 0.00 N ATOM 636 CA MET A 42 11.028 -9.111 2.263 1.00 0.00 C ATOM 637 C MET A 42 11.687 -7.964 3.037 1.00 0.00 C ATOM 638 O MET A 42 11.328 -7.678 4.162 1.00 0.00 O ATOM 639 CB MET A 42 11.745 -10.433 2.531 1.00 0.00 C ATOM 640 CG MET A 42 10.891 -11.588 2.001 1.00 0.00 C ATOM 641 SD MET A 42 11.651 -13.163 2.465 1.00 0.00 S ATOM 642 CE MET A 42 12.786 -13.286 1.060 1.00 0.00 C ATOM 0 H MET A 42 11.579 -9.667 0.276 1.00 0.00 H new ATOM 0 HA MET A 42 9.987 -9.140 2.585 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.721 -10.435 2.046 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.919 -10.555 3.600 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.882 -11.525 2.408 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.802 -11.521 0.917 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.369 -14.203 1.142 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.215 -13.301 0.131 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.458 -12.428 1.059 1.00 0.00 H new ATOM 652 N GLN A 43 12.644 -7.303 2.446 1.00 0.00 N ATOM 653 CA GLN A 43 13.318 -6.176 3.153 1.00 0.00 C ATOM 654 C GLN A 43 12.409 -4.942 3.173 1.00 0.00 C ATOM 655 O GLN A 43 12.082 -4.417 4.219 1.00 0.00 O ATOM 656 CB GLN A 43 14.581 -5.896 2.337 1.00 0.00 C ATOM 657 CG GLN A 43 15.661 -6.924 2.685 1.00 0.00 C ATOM 658 CD GLN A 43 16.804 -6.238 3.438 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.579 -5.565 4.424 1.00 0.00 O ATOM 660 NE2 GLN A 43 18.030 -6.382 3.014 1.00 0.00 N ATOM 0 H GLN A 43 12.989 -7.494 1.505 1.00 0.00 H new ATOM 0 HA GLN A 43 13.547 -6.419 4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.354 -5.940 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.944 -4.889 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.236 -7.720 3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.040 -7.390 1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.220 -6.947 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.798 -5.930 3.510 1.00 0.00 H new ATOM 669 N GLU A 44 12.001 -4.472 2.025 1.00 0.00 N ATOM 670 CA GLU A 44 11.119 -3.270 1.980 1.00 0.00 C ATOM 671 C GLU A 44 9.801 -3.551 2.704 1.00 0.00 C ATOM 672 O GLU A 44 9.374 -2.793 3.557 1.00 0.00 O ATOM 673 CB GLU A 44 10.868 -3.021 0.494 1.00 0.00 C ATOM 674 CG GLU A 44 12.007 -2.178 -0.081 1.00 0.00 C ATOM 675 CD GLU A 44 11.634 -1.714 -1.490 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.645 -2.207 -2.012 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.341 -0.876 -2.024 1.00 0.00 O ATOM 0 H GLU A 44 12.240 -4.868 1.116 1.00 0.00 H new ATOM 0 HA GLU A 44 11.572 -2.408 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.799 -3.970 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.916 -2.508 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.196 -1.316 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.927 -2.761 -0.110 1.00 0.00 H new ATOM 684 N ALA A 45 9.153 -4.638 2.380 1.00 0.00 N ATOM 685 CA ALA A 45 7.869 -4.959 3.064 1.00 0.00 C ATOM 686 C ALA A 45 8.039 -4.739 4.563 1.00 0.00 C ATOM 687 O ALA A 45 7.248 -4.077 5.204 1.00 0.00 O ATOM 688 CB ALA A 45 7.611 -6.436 2.765 1.00 0.00 C ATOM 0 H ALA A 45 9.455 -5.312 1.677 1.00 0.00 H new ATOM 0 HA ALA A 45 7.041 -4.335 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.679 -6.746 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.537 -6.582 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.433 -7.035 3.156 1.00 0.00 H new ATOM 694 N LEU A 46 9.085 -5.278 5.118 1.00 0.00 N ATOM 695 CA LEU A 46 9.343 -5.098 6.570 1.00 0.00 C ATOM 696 C LEU A 46 9.296 -3.608 6.923 1.00 0.00 C ATOM 697 O LEU A 46 8.898 -3.227 8.006 1.00 0.00 O ATOM 698 CB LEU A 46 10.750 -5.667 6.770 1.00 0.00 C ATOM 699 CG LEU A 46 11.044 -5.835 8.261 1.00 0.00 C ATOM 700 CD1 LEU A 46 9.843 -6.476 8.959 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.271 -6.731 8.433 1.00 0.00 C ATOM 0 H LEU A 46 9.778 -5.840 4.624 1.00 0.00 H new ATOM 0 HA LEU A 46 8.607 -5.592 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.837 -6.629 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.487 -5.002 6.319 1.00 0.00 H new ATOM 0 HG LEU A 46 11.235 -4.858 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.059 -6.593 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.967 -5.839 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.646 -7.454 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.485 -6.854 9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.075 -7.706 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.128 -6.272 7.941 1.00 0.00 H new ATOM 713 N ASP A 47 9.698 -2.764 6.010 1.00 0.00 N ATOM 714 CA ASP A 47 9.680 -1.300 6.279 1.00 0.00 C ATOM 715 C ASP A 47 8.257 -0.745 6.156 1.00 0.00 C ATOM 716 O ASP A 47 7.986 0.377 6.527 1.00 0.00 O ATOM 717 CB ASP A 47 10.586 -0.690 5.210 1.00 0.00 C ATOM 718 CG ASP A 47 10.887 0.766 5.568 1.00 0.00 C ATOM 719 OD1 ASP A 47 9.945 1.505 5.801 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.055 1.116 5.605 1.00 0.00 O ATOM 0 H ASP A 47 10.039 -3.029 5.086 1.00 0.00 H new ATOM 0 HA ASP A 47 10.020 -1.067 7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.514 -1.257 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.103 -0.743 4.235 1.00 0.00 H new ATOM 725 N ILE A 48 7.346 -1.522 5.637 1.00 0.00 N ATOM 726 CA ILE A 48 5.943 -1.035 5.494 1.00 0.00 C ATOM 727 C ILE A 48 5.126 -1.461 6.715 1.00 0.00 C ATOM 728 O ILE A 48 4.185 -0.804 7.099 1.00 0.00 O ATOM 729 CB ILE A 48 5.385 -1.664 4.197 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.667 -2.996 4.493 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.526 -1.904 3.208 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.567 -3.835 3.208 1.00 0.00 C ATOM 0 H ILE A 48 7.512 -2.472 5.306 1.00 0.00 H new ATOM 0 HA ILE A 48 5.894 0.052 5.435 1.00 0.00 H new ATOM 0 HB ILE A 48 4.662 -0.972 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.211 -3.550 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.670 -2.801 4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.129 -2.347 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.008 -0.955 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.256 -2.581 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.059 -4.774 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.003 -3.283 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.568 -4.043 2.831 1.00 0.00 H new ATOM 744 N ALA A 49 5.471 -2.562 7.324 1.00 0.00 N ATOM 745 CA ALA A 49 4.701 -3.020 8.507 1.00 0.00 C ATOM 746 C ALA A 49 5.340 -2.514 9.808 1.00 0.00 C ATOM 747 O ALA A 49 4.696 -1.875 10.617 1.00 0.00 O ATOM 748 CB ALA A 49 4.742 -4.547 8.446 1.00 0.00 C ATOM 0 H ALA A 49 6.251 -3.161 7.052 1.00 0.00 H new ATOM 0 HA ALA A 49 3.680 -2.637 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.192 -4.960 9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.286 -4.886 7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.777 -4.885 8.487 1.00 0.00 H new ATOM 754 N ARG A 50 6.595 -2.812 10.025 1.00 0.00 N ATOM 755 CA ARG A 50 7.264 -2.366 11.282 1.00 0.00 C ATOM 756 C ARG A 50 7.335 -0.836 11.353 1.00 0.00 C ATOM 757 O ARG A 50 7.459 -0.264 12.418 1.00 0.00 O ATOM 758 CB ARG A 50 8.668 -2.983 11.235 1.00 0.00 C ATOM 759 CG ARG A 50 9.607 -2.110 10.395 1.00 0.00 C ATOM 760 CD ARG A 50 10.771 -2.962 9.887 1.00 0.00 C ATOM 761 NE ARG A 50 11.995 -2.334 10.459 1.00 0.00 N ATOM 762 CZ ARG A 50 12.829 -1.697 9.680 1.00 0.00 C ATOM 763 NH1 ARG A 50 13.082 -2.153 8.484 1.00 0.00 N ATOM 764 NH2 ARG A 50 13.412 -0.606 10.097 1.00 0.00 N ATOM 0 H ARG A 50 7.185 -3.345 9.386 1.00 0.00 H new ATOM 0 HA ARG A 50 6.714 -2.684 12.168 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.062 -3.084 12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.617 -3.986 10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.065 -1.677 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.983 -1.280 10.993 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.672 -3.998 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.806 -2.971 8.798 1.00 0.00 H new ATOM 0 HE ARG A 50 12.182 -2.401 11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.629 -3.006 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.733 -1.656 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.217 -0.249 11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.063 -0.110 9.487 1.00 0.00 H new ATOM 778 N LYS A 51 7.264 -0.169 10.235 1.00 0.00 N ATOM 779 CA LYS A 51 7.334 1.316 10.261 1.00 0.00 C ATOM 780 C LYS A 51 6.121 1.892 11.003 1.00 0.00 C ATOM 781 O LYS A 51 6.257 2.728 11.874 1.00 0.00 O ATOM 782 CB LYS A 51 7.328 1.734 8.792 1.00 0.00 C ATOM 783 CG LYS A 51 7.237 3.255 8.700 1.00 0.00 C ATOM 784 CD LYS A 51 8.638 3.854 8.569 1.00 0.00 C ATOM 785 CE LYS A 51 8.826 4.397 7.151 1.00 0.00 C ATOM 786 NZ LYS A 51 9.840 5.479 7.282 1.00 0.00 N ATOM 0 H LYS A 51 7.161 -0.586 9.310 1.00 0.00 H new ATOM 0 HA LYS A 51 8.218 1.683 10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.234 1.382 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.485 1.276 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.629 3.540 7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.744 3.653 9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.774 4.653 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.391 3.096 8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.168 3.616 6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.889 4.781 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.021 5.900 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.484 6.212 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.724 5.083 7.661 1.00 0.00 H new ATOM 800 N GLY A 52 4.936 1.437 10.682 1.00 0.00 N ATOM 801 CA GLY A 52 3.716 1.944 11.385 1.00 0.00 C ATOM 802 C GLY A 52 3.282 3.314 10.838 1.00 0.00 C ATOM 803 O GLY A 52 2.115 3.649 10.864 1.00 0.00 O ATOM 0 H GLY A 52 4.760 0.736 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.902 1.229 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.917 2.024 12.453 1.00 0.00 H new ATOM 807 N GLN A 53 4.197 4.111 10.348 1.00 0.00 N ATOM 808 CA GLN A 53 3.805 5.455 9.812 1.00 0.00 C ATOM 809 C GLN A 53 3.873 5.464 8.283 1.00 0.00 C ATOM 810 O GLN A 53 3.340 6.344 7.637 1.00 0.00 O ATOM 811 CB GLN A 53 4.794 6.475 10.404 1.00 0.00 C ATOM 812 CG GLN A 53 6.167 5.836 10.625 1.00 0.00 C ATOM 813 CD GLN A 53 7.150 6.892 11.134 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.400 7.877 10.469 1.00 0.00 O ATOM 815 NE2 GLN A 53 7.724 6.725 12.294 1.00 0.00 N ATOM 0 H GLN A 53 5.192 3.894 10.295 1.00 0.00 H new ATOM 0 HA GLN A 53 2.780 5.701 10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.889 7.328 9.732 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.408 6.855 11.350 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.088 5.021 11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.532 5.404 9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.514 5.898 12.853 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.383 7.422 12.642 1.00 0.00 H new ATOM 824 N PHE A 54 4.506 4.483 7.699 1.00 0.00 N ATOM 825 CA PHE A 54 4.590 4.425 6.207 1.00 0.00 C ATOM 826 C PHE A 54 3.243 4.808 5.596 1.00 0.00 C ATOM 827 O PHE A 54 3.183 5.284 4.482 1.00 0.00 O ATOM 828 CB PHE A 54 4.954 2.973 5.875 1.00 0.00 C ATOM 829 CG PHE A 54 3.817 2.038 6.237 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.523 1.755 7.580 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.067 1.433 5.224 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.488 0.873 7.901 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.030 0.555 5.549 1.00 0.00 C ATOM 834 CZ PHE A 54 1.742 0.272 6.884 1.00 0.00 C ATOM 0 H PHE A 54 4.970 3.718 8.189 1.00 0.00 H new ATOM 0 HA PHE A 54 5.329 5.118 5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.180 2.884 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.854 2.686 6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.098 2.220 8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.290 1.645 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.265 0.656 8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.449 0.094 4.764 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.943 -0.411 7.131 1.00 0.00 H new ATOM 844 N ASP A 55 2.174 4.612 6.338 1.00 0.00 N ATOM 845 CA ASP A 55 0.793 4.966 5.867 1.00 0.00 C ATOM 846 C ASP A 55 0.110 3.779 5.190 1.00 0.00 C ATOM 847 O ASP A 55 -0.839 3.241 5.712 1.00 0.00 O ATOM 848 CB ASP A 55 0.929 6.139 4.888 1.00 0.00 C ATOM 849 CG ASP A 55 -0.389 6.912 4.829 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.858 7.327 5.877 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.908 7.076 3.738 1.00 0.00 O ATOM 0 H ASP A 55 2.204 4.211 7.275 1.00 0.00 H new ATOM 0 HA ASP A 55 0.170 5.241 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.736 6.799 5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.191 5.770 3.896 1.00 0.00 H new ATOM 856 N ILE A 56 0.548 3.383 4.024 1.00 0.00 N ATOM 857 CA ILE A 56 -0.141 2.251 3.330 1.00 0.00 C ATOM 858 C ILE A 56 0.843 1.168 2.875 1.00 0.00 C ATOM 859 O ILE A 56 1.992 1.440 2.595 1.00 0.00 O ATOM 860 CB ILE A 56 -0.804 2.923 2.129 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.848 3.924 2.629 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.472 1.874 1.243 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.592 4.526 1.437 1.00 0.00 C ATOM 0 H ILE A 56 1.342 3.787 3.526 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.845 1.735 3.982 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.048 3.444 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.552 3.428 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.364 4.713 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.942 2.364 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.722 1.167 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.230 1.341 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.335 5.239 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.883 5.037 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.089 3.732 0.880 1.00 0.00 H new ATOM 875 N ALA A 57 0.396 -0.069 2.794 1.00 0.00 N ATOM 876 CA ALA A 57 1.319 -1.162 2.357 1.00 0.00 C ATOM 877 C ALA A 57 0.556 -2.173 1.507 1.00 0.00 C ATOM 878 O ALA A 57 -0.523 -2.591 1.865 1.00 0.00 O ATOM 879 CB ALA A 57 1.808 -1.831 3.642 1.00 0.00 C ATOM 0 H ALA A 57 -0.557 -0.362 3.010 1.00 0.00 H new ATOM 0 HA ALA A 57 2.146 -0.778 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.490 -2.643 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.327 -1.098 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.955 -2.229 4.192 1.00 0.00 H new ATOM 885 N ILE A 58 1.084 -2.576 0.385 1.00 0.00 N ATOM 886 CA ILE A 58 0.323 -3.554 -0.435 1.00 0.00 C ATOM 887 C ILE A 58 1.211 -4.655 -1.018 1.00 0.00 C ATOM 888 O ILE A 58 1.733 -4.540 -2.109 1.00 0.00 O ATOM 889 CB ILE A 58 -0.292 -2.721 -1.557 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.240 -1.684 -0.954 1.00 0.00 C ATOM 891 CG2 ILE A 58 -1.075 -3.630 -2.506 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.443 -0.447 -0.552 1.00 0.00 C ATOM 0 H ILE A 58 1.985 -2.280 0.009 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.418 -4.074 0.171 1.00 0.00 H new ATOM 0 HB ILE A 58 0.501 -2.219 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.011 -1.415 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.749 -2.101 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.512 -3.031 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.403 -4.373 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.869 -4.134 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.115 0.295 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.311 -0.724 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.045 -0.027 -1.431 1.00 0.00 H new ATOM 904 N ILE A 59 1.303 -5.760 -0.330 1.00 0.00 N ATOM 905 CA ILE A 59 2.062 -6.923 -0.865 1.00 0.00 C ATOM 906 C ILE A 59 1.039 -7.735 -1.639 1.00 0.00 C ATOM 907 O ILE A 59 0.649 -8.807 -1.237 1.00 0.00 O ATOM 908 CB ILE A 59 2.562 -7.692 0.363 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.826 -7.020 0.905 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.880 -9.132 -0.037 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.634 -6.708 2.389 1.00 0.00 C ATOM 0 H ILE A 59 0.881 -5.907 0.587 1.00 0.00 H new ATOM 0 HA ILE A 59 2.907 -6.672 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 59 1.792 -7.690 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.687 -7.674 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.030 -6.103 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.236 -9.682 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.980 -9.609 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.651 -9.134 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.532 -6.229 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.783 -6.039 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.450 -7.634 2.935 1.00 0.00 H new ATOM 923 N ASP A 60 0.546 -7.184 -2.716 1.00 0.00 N ATOM 924 CA ASP A 60 -0.525 -7.880 -3.482 1.00 0.00 C ATOM 925 C ASP A 60 -0.110 -9.284 -3.896 1.00 0.00 C ATOM 926 O ASP A 60 0.847 -9.834 -3.394 1.00 0.00 O ATOM 927 CB ASP A 60 -0.837 -6.996 -4.690 1.00 0.00 C ATOM 928 CG ASP A 60 0.426 -6.688 -5.502 1.00 0.00 C ATOM 929 OD1 ASP A 60 1.488 -6.659 -4.921 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.299 -6.457 -6.693 1.00 0.00 O ATOM 0 H ASP A 60 0.839 -6.284 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.413 -8.018 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.568 -7.494 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.290 -6.064 -4.353 1.00 0.00 H new ATOM 935 N VAL A 61 -0.872 -9.880 -4.765 1.00 0.00 N ATOM 936 CA VAL A 61 -0.597 -11.273 -5.203 1.00 0.00 C ATOM 937 C VAL A 61 -0.261 -12.165 -3.996 1.00 0.00 C ATOM 938 O VAL A 61 0.877 -12.372 -3.637 1.00 0.00 O ATOM 939 CB VAL A 61 0.529 -11.174 -6.249 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.932 -11.251 -5.628 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.367 -12.312 -7.257 1.00 0.00 C ATOM 0 H VAL A 61 -1.690 -9.452 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.465 -11.752 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 61 0.443 -10.200 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.683 -11.176 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.063 -10.431 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.047 -12.201 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.159 -12.252 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.428 -13.269 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.602 -12.227 -7.749 1.00 0.00 H new ATOM 951 N ASN A 62 -1.283 -12.691 -3.366 1.00 0.00 N ATOM 952 CA ASN A 62 -1.090 -13.586 -2.183 1.00 0.00 C ATOM 953 C ASN A 62 -2.015 -14.785 -2.305 1.00 0.00 C ATOM 954 O ASN A 62 -3.126 -14.665 -2.776 1.00 0.00 O ATOM 955 CB ASN A 62 -1.492 -12.761 -0.964 1.00 0.00 C ATOM 956 CG ASN A 62 -0.637 -11.505 -0.886 1.00 0.00 C ATOM 957 OD1 ASN A 62 0.268 -11.413 -0.082 1.00 0.00 O ATOM 958 ND2 ASN A 62 -0.884 -10.527 -1.700 1.00 0.00 N ATOM 0 H ASN A 62 -2.257 -12.535 -3.626 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.063 -13.945 -2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.546 -12.491 -1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.369 -13.352 -0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.318 -9.679 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.645 -10.605 -2.375 1.00 0.00 H new ATOM 965 N LEU A 63 -1.584 -15.935 -1.878 1.00 0.00 N ATOM 966 CA LEU A 63 -2.470 -17.124 -1.964 1.00 0.00 C ATOM 967 C LEU A 63 -1.707 -18.328 -1.440 1.00 0.00 C ATOM 968 O LEU A 63 -0.493 -18.366 -1.491 1.00 0.00 O ATOM 969 CB LEU A 63 -2.819 -17.271 -3.450 1.00 0.00 C ATOM 970 CG LEU A 63 -4.334 -17.463 -3.617 1.00 0.00 C ATOM 971 CD1 LEU A 63 -5.090 -16.249 -3.062 1.00 0.00 C ATOM 972 CD2 LEU A 63 -4.665 -17.613 -5.103 1.00 0.00 C ATOM 0 H LEU A 63 -0.662 -16.103 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.381 -17.032 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.494 -16.387 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.287 -18.122 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.636 -18.356 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.162 -16.400 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.862 -16.131 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.784 -15.352 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.740 -17.749 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.350 -16.717 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.141 -18.480 -5.507 1.00 0.00 H new ATOM 984 N ASP A 64 -2.382 -19.302 -0.908 1.00 0.00 N ATOM 985 CA ASP A 64 -1.634 -20.460 -0.365 1.00 0.00 C ATOM 986 C ASP A 64 -0.700 -19.954 0.729 1.00 0.00 C ATOM 987 O ASP A 64 0.262 -20.602 1.089 1.00 0.00 O ATOM 988 CB ASP A 64 -0.818 -20.984 -1.548 1.00 0.00 C ATOM 989 CG ASP A 64 -0.967 -22.503 -1.637 1.00 0.00 C ATOM 990 OD1 ASP A 64 -1.623 -23.065 -0.775 1.00 0.00 O ATOM 991 OD2 ASP A 64 -0.423 -23.079 -2.565 1.00 0.00 O ATOM 0 H ASP A 64 -3.398 -19.347 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.276 -21.232 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.159 -20.520 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.232 -20.717 -1.426 1.00 0.00 H new ATOM 996 N GLY A 65 -0.957 -18.776 1.238 1.00 0.00 N ATOM 997 CA GLY A 65 -0.054 -18.218 2.275 1.00 0.00 C ATOM 998 C GLY A 65 1.360 -18.314 1.724 1.00 0.00 C ATOM 999 O GLY A 65 2.245 -18.874 2.340 1.00 0.00 O ATOM 0 H GLY A 65 -1.747 -18.185 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.313 -17.183 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.144 -18.776 3.207 1.00 0.00 H new ATOM 1003 N GLU A 66 1.569 -17.812 0.533 1.00 0.00 N ATOM 1004 CA GLU A 66 2.910 -17.924 -0.079 1.00 0.00 C ATOM 1005 C GLU A 66 3.628 -16.575 -0.195 1.00 0.00 C ATOM 1006 O GLU A 66 4.686 -16.396 0.376 1.00 0.00 O ATOM 1007 CB GLU A 66 2.667 -18.535 -1.458 1.00 0.00 C ATOM 1008 CG GLU A 66 3.320 -19.916 -1.535 1.00 0.00 C ATOM 1009 CD GLU A 66 4.109 -20.036 -2.842 1.00 0.00 C ATOM 1010 OE1 GLU A 66 3.499 -20.341 -3.854 1.00 0.00 O ATOM 1011 OE2 GLU A 66 5.309 -19.820 -2.808 1.00 0.00 O ATOM 0 H GLU A 66 0.868 -17.334 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 66 3.566 -18.535 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.596 -18.618 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.077 -17.885 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.983 -20.064 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.558 -20.694 -1.485 1.00 0.00 H new ATOM 1018 N PRO A 67 3.062 -15.680 -0.955 1.00 0.00 N ATOM 1019 CA PRO A 67 3.678 -14.366 -1.176 1.00 0.00 C ATOM 1020 C PRO A 67 3.068 -13.307 -0.250 1.00 0.00 C ATOM 1021 O PRO A 67 2.749 -12.211 -0.667 1.00 0.00 O ATOM 1022 CB PRO A 67 3.330 -14.109 -2.643 1.00 0.00 C ATOM 1023 CG PRO A 67 2.111 -14.953 -2.929 1.00 0.00 C ATOM 1024 CD PRO A 67 1.811 -15.762 -1.692 1.00 0.00 C ATOM 0 HA PRO A 67 4.747 -14.329 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.124 -13.053 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.158 -14.384 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.261 -14.322 -3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.292 -15.609 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.978 -15.345 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.549 -16.792 -1.934 1.00 0.00 H new ATOM 1032 N SER A 68 2.905 -13.630 1.005 1.00 0.00 N ATOM 1033 CA SER A 68 2.318 -12.644 1.964 1.00 0.00 C ATOM 1034 C SER A 68 3.094 -12.635 3.292 1.00 0.00 C ATOM 1035 O SER A 68 2.927 -11.741 4.097 1.00 0.00 O ATOM 1036 CB SER A 68 0.887 -13.125 2.195 1.00 0.00 C ATOM 1037 OG SER A 68 0.905 -14.515 2.492 1.00 0.00 O ATOM 0 H SER A 68 3.152 -14.533 1.409 1.00 0.00 H new ATOM 0 HA SER A 68 2.360 -11.628 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.432 -12.571 3.016 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.280 -12.938 1.309 1.00 0.00 H new ATOM 0 HG SER A 68 0.633 -14.654 3.423 1.00 0.00 H new ATOM 1043 N TYR A 69 3.930 -13.626 3.513 1.00 0.00 N ATOM 1044 CA TYR A 69 4.734 -13.731 4.773 1.00 0.00 C ATOM 1045 C TYR A 69 3.929 -13.289 6.002 1.00 0.00 C ATOM 1046 O TYR A 69 2.778 -12.915 5.907 1.00 0.00 O ATOM 1047 CB TYR A 69 5.993 -12.855 4.597 1.00 0.00 C ATOM 1048 CG TYR A 69 5.908 -11.946 3.388 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.154 -10.776 3.452 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.612 -12.256 2.219 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.093 -9.911 2.359 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.558 -11.388 1.121 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.796 -10.217 1.192 1.00 0.00 C ATOM 1054 OH TYR A 69 5.741 -9.362 0.110 1.00 0.00 O ATOM 0 H TYR A 69 4.091 -14.386 2.852 1.00 0.00 H new ATOM 0 HA TYR A 69 5.010 -14.771 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.138 -12.250 5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.868 -13.498 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.612 -10.537 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.196 -13.163 2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.504 -9.008 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.105 -11.623 0.220 1.00 0.00 H new ATOM 0 HH TYR A 69 6.287 -9.722 -0.620 1.00 0.00 H new ATOM 1064 N PRO A 70 4.567 -13.365 7.135 1.00 0.00 N ATOM 1065 CA PRO A 70 3.905 -12.970 8.389 1.00 0.00 C ATOM 1066 C PRO A 70 3.961 -11.451 8.562 1.00 0.00 C ATOM 1067 O PRO A 70 3.463 -10.915 9.529 1.00 0.00 O ATOM 1068 CB PRO A 70 4.727 -13.672 9.461 1.00 0.00 C ATOM 1069 CG PRO A 70 6.084 -13.874 8.859 1.00 0.00 C ATOM 1070 CD PRO A 70 5.941 -13.832 7.357 1.00 0.00 C ATOM 0 HA PRO A 70 2.850 -13.241 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.786 -13.069 10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.276 -14.624 9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.770 -13.098 9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.502 -14.830 9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.668 -13.156 6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.103 -14.815 6.915 1.00 0.00 H new ATOM 1078 N VAL A 71 4.551 -10.746 7.632 1.00 0.00 N ATOM 1079 CA VAL A 71 4.607 -9.268 7.775 1.00 0.00 C ATOM 1080 C VAL A 71 3.354 -8.645 7.151 1.00 0.00 C ATOM 1081 O VAL A 71 2.688 -7.845 7.770 1.00 0.00 O ATOM 1082 CB VAL A 71 5.905 -8.797 7.088 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.020 -9.346 5.673 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.914 -7.275 7.005 1.00 0.00 C ATOM 0 H VAL A 71 4.989 -11.126 6.793 1.00 0.00 H new ATOM 0 HA VAL A 71 4.622 -8.957 8.820 1.00 0.00 H new ATOM 0 HB VAL A 71 6.743 -9.163 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.947 -8.993 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.023 -10.436 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.173 -9.003 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.831 -6.943 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.054 -6.937 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.863 -6.856 8.010 1.00 0.00 H new ATOM 1094 N ALA A 72 3.003 -9.028 5.951 1.00 0.00 N ATOM 1095 CA ALA A 72 1.776 -8.482 5.323 1.00 0.00 C ATOM 1096 C ALA A 72 0.555 -9.033 6.049 1.00 0.00 C ATOM 1097 O ALA A 72 -0.327 -8.302 6.458 1.00 0.00 O ATOM 1098 CB ALA A 72 1.810 -9.007 3.896 1.00 0.00 C ATOM 0 H ALA A 72 3.519 -9.698 5.381 1.00 0.00 H new ATOM 0 HA ALA A 72 1.727 -7.394 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.933 -8.649 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.713 -8.652 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.808 -10.097 3.909 1.00 0.00 H new ATOM 1104 N ASP A 73 0.504 -10.325 6.223 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.653 -10.921 6.930 1.00 0.00 C ATOM 1106 C ASP A 73 -0.821 -10.241 8.284 1.00 0.00 C ATOM 1107 O ASP A 73 -1.875 -9.732 8.613 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.289 -12.386 7.116 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.817 -13.203 5.937 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.928 -12.938 5.509 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.101 -14.079 5.482 1.00 0.00 O ATOM 0 H ASP A 73 1.212 -10.987 5.906 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.588 -10.803 6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.793 -12.495 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.712 -12.760 8.048 1.00 0.00 H new ATOM 1116 N ILE A 74 0.223 -10.216 9.065 1.00 0.00 N ATOM 1117 CA ILE A 74 0.134 -9.549 10.393 1.00 0.00 C ATOM 1118 C ILE A 74 -0.302 -8.109 10.176 1.00 0.00 C ATOM 1119 O ILE A 74 -1.102 -7.564 10.906 1.00 0.00 O ATOM 1120 CB ILE A 74 1.545 -9.593 10.974 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.834 -10.999 11.502 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.654 -8.588 12.123 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.207 -11.016 12.177 1.00 0.00 C ATOM 0 H ILE A 74 1.130 -10.627 8.842 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.579 -10.030 11.062 1.00 0.00 H new ATOM 0 HB ILE A 74 2.266 -9.339 10.197 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.063 -11.298 12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.810 -11.719 10.684 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.661 -8.618 12.539 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.445 -7.585 11.750 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.933 -8.844 12.900 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.415 -12.017 12.554 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.972 -10.735 11.453 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.214 -10.308 13.006 1.00 0.00 H new ATOM 1135 N LEU A 75 0.215 -7.496 9.152 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.171 -6.100 8.851 1.00 0.00 C ATOM 1137 C LEU A 75 -1.689 -6.030 8.684 1.00 0.00 C ATOM 1138 O LEU A 75 -2.282 -4.972 8.730 1.00 0.00 O ATOM 1139 CB LEU A 75 0.552 -5.776 7.544 1.00 0.00 C ATOM 1140 CG LEU A 75 0.645 -4.264 7.372 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.443 -3.678 8.537 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.356 -3.951 6.055 1.00 0.00 C ATOM 0 H LEU A 75 0.892 -7.907 8.509 1.00 0.00 H new ATOM 0 HA LEU A 75 0.096 -5.392 9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.550 -6.213 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.017 -6.216 6.702 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.354 -3.828 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.514 -2.596 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.940 -3.910 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.444 -4.109 8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.425 -2.871 5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.358 -4.379 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.792 -4.379 5.226 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.321 -7.161 8.492 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.796 -7.183 8.328 1.00 0.00 C ATOM 1156 C ALA A 76 -4.489 -7.405 9.682 1.00 0.00 C ATOM 1157 O ALA A 76 -5.175 -6.536 10.180 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.070 -8.356 7.386 1.00 0.00 C ATOM 0 H ALA A 76 -1.869 -8.074 8.442 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.178 -6.241 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.143 -8.441 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.562 -8.187 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.701 -9.278 7.836 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.328 -8.566 10.275 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.998 -8.836 11.588 1.00 0.00 C ATOM 1166 C GLU A 77 -4.959 -7.591 12.484 1.00 0.00 C ATOM 1167 O GLU A 77 -5.926 -7.262 13.142 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.229 -10.001 12.227 1.00 0.00 C ATOM 1169 CG GLU A 77 -2.725 -9.849 11.985 1.00 0.00 C ATOM 1170 CD GLU A 77 -1.963 -10.299 13.233 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -1.871 -11.496 13.449 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.483 -9.438 13.952 1.00 0.00 O ATOM 0 H GLU A 77 -3.765 -9.334 9.909 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.050 -9.088 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.429 -10.033 13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.577 -10.946 11.810 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.421 -10.446 11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.486 -8.811 11.753 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.863 -6.883 12.499 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.777 -5.655 13.328 1.00 0.00 C ATOM 1181 C ARG A 78 -3.490 -4.461 12.415 1.00 0.00 C ATOM 1182 O ARG A 78 -2.754 -3.557 12.756 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.616 -5.897 14.294 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.321 -6.092 13.504 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.151 -6.242 14.477 1.00 0.00 C ATOM 1186 NE ARG A 78 0.144 -4.855 14.933 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.383 -4.618 16.192 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -0.377 -5.145 17.112 1.00 0.00 N ATOM 1189 NH2 ARG A 78 1.383 -3.853 16.533 1.00 0.00 N ATOM 0 H ARG A 78 -3.021 -7.106 11.969 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.698 -5.442 13.871 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.514 -5.052 14.975 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.816 -6.777 14.906 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.398 -6.976 12.871 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.153 -5.241 12.844 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.414 -6.887 15.316 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.714 -6.691 13.989 1.00 0.00 H new ATOM 0 HE ARG A 78 0.159 -4.090 14.259 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.159 -5.743 16.846 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.189 -4.959 18.097 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.978 -3.440 15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.570 -3.667 17.518 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.058 -4.478 11.243 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.825 -3.376 10.268 1.00 0.00 C ATOM 1205 C ASN A 79 -4.195 -2.007 10.843 1.00 0.00 C ATOM 1206 O ASN A 79 -5.263 -1.807 11.387 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.727 -3.698 9.077 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.101 -4.153 9.574 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.621 -3.615 10.531 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.715 -5.128 8.961 1.00 0.00 N ATOM 0 H ASN A 79 -4.681 -5.216 10.915 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.770 -3.316 10.000 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.833 -2.819 8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.274 -4.479 8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.631 -5.438 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.279 -5.580 8.157 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.318 -1.058 10.676 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.581 0.330 11.149 1.00 0.00 C ATOM 1219 C VAL A 80 -4.038 1.142 9.916 1.00 0.00 C ATOM 1220 O VAL A 80 -4.592 0.552 9.011 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.225 0.773 11.710 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.691 -0.311 12.651 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.227 0.967 10.564 1.00 0.00 C ATOM 0 H VAL A 80 -2.413 -1.188 10.223 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.355 0.449 11.907 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.350 1.712 12.249 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.726 -0.001 13.053 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.394 -0.460 13.470 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.572 -1.244 12.100 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.265 1.282 10.969 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.104 0.027 10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.601 1.730 9.881 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.803 2.441 9.853 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.233 3.172 8.638 1.00 0.00 C ATOM 1235 C PRO A 81 -3.375 2.690 7.469 1.00 0.00 C ATOM 1236 O PRO A 81 -2.162 2.686 7.543 1.00 0.00 O ATOM 1237 CB PRO A 81 -4.003 4.640 8.980 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.968 4.626 10.055 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.148 3.338 10.823 1.00 0.00 C ATOM 0 HA PRO A 81 -5.272 3.012 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.661 5.200 8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.922 5.115 9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.967 4.684 9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.084 5.487 10.713 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.192 2.935 11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.762 3.484 11.711 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.990 2.230 6.414 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.195 1.689 5.275 1.00 0.00 C ATOM 1249 C PHE A 82 -4.110 1.246 4.135 1.00 0.00 C ATOM 1250 O PHE A 82 -5.134 1.839 3.872 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.468 0.474 5.868 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.417 -0.710 5.975 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.700 -0.547 6.521 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -3.007 -1.973 5.527 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.568 -1.642 6.615 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.877 -3.069 5.623 1.00 0.00 C ATOM 1257 CZ PHE A 82 -5.156 -2.902 6.169 1.00 0.00 C ATOM 0 H PHE A 82 -5.002 2.205 6.291 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.515 2.431 4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.616 0.210 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.074 0.723 6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.018 0.425 6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.020 -2.103 5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.556 -1.513 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.561 -4.042 5.276 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.825 -3.747 6.246 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.734 0.191 3.472 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.546 -0.346 2.351 1.00 0.00 C ATOM 1269 C ILE A 83 -3.858 -1.601 1.835 1.00 0.00 C ATOM 1270 O ILE A 83 -2.666 -1.789 2.043 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.577 0.766 1.298 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.982 1.375 1.244 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.207 0.232 -0.095 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.930 2.718 0.515 1.00 0.00 C ATOM 0 H ILE A 83 -2.880 -0.332 3.665 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.563 -0.619 2.633 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.844 1.521 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.664 0.697 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.369 1.512 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.239 1.047 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.202 -0.190 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.917 -0.541 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.930 3.150 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.262 3.395 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.561 2.567 -0.500 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.599 -2.454 1.181 1.00 0.00 N ATOM 1287 CA PHE A 84 -4.008 -3.710 0.662 1.00 0.00 C ATOM 1288 C PHE A 84 -4.813 -4.240 -0.535 1.00 0.00 C ATOM 1289 O PHE A 84 -5.939 -3.835 -0.802 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.103 -4.666 1.844 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.922 -5.619 1.864 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.854 -6.681 0.951 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.901 -5.451 2.813 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.769 -7.570 0.987 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.820 -6.343 2.847 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.755 -7.399 1.934 1.00 0.00 C ATOM 0 H PHE A 84 -5.592 -2.330 0.985 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.987 -3.580 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.134 -4.099 2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.032 -5.233 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.637 -6.815 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.948 -4.634 3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.717 -8.387 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.037 -6.214 3.579 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.080 -8.084 1.960 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.237 -5.146 -1.259 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.936 -5.713 -2.437 1.00 0.00 C ATOM 1308 C ALA A 85 -4.328 -7.068 -2.767 1.00 0.00 C ATOM 1309 O ALA A 85 -3.181 -7.299 -2.486 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.666 -4.708 -3.556 1.00 0.00 C ATOM 0 H ALA A 85 -3.305 -5.522 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.004 -5.865 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.148 -5.047 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.066 -3.734 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.592 -4.626 -3.720 1.00 0.00 H new ATOM 1316 N THR A 86 -5.078 -7.962 -3.353 1.00 0.00 N ATOM 1317 CA THR A 86 -4.504 -9.308 -3.692 1.00 0.00 C ATOM 1318 C THR A 86 -5.602 -10.299 -4.088 1.00 0.00 C ATOM 1319 O THR A 86 -6.734 -9.925 -4.308 1.00 0.00 O ATOM 1320 CB THR A 86 -3.790 -9.797 -2.425 1.00 0.00 C ATOM 1321 OG1 THR A 86 -3.521 -11.188 -2.545 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.664 -9.551 -1.189 1.00 0.00 C ATOM 0 H THR A 86 -6.055 -7.826 -3.612 1.00 0.00 H new ATOM 0 HA THR A 86 -3.825 -9.233 -4.541 1.00 0.00 H new ATOM 0 HB THR A 86 -2.856 -9.246 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.145 -11.692 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.143 -9.904 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.866 -8.484 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.605 -10.090 -1.296 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.250 -11.563 -4.179 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.231 -12.626 -4.568 1.00 0.00 C ATOM 1332 C GLY A 87 -7.653 -12.249 -4.146 1.00 0.00 C ATOM 1333 O GLY A 87 -8.596 -12.448 -4.886 1.00 0.00 O ATOM 0 H GLY A 87 -4.307 -11.906 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.197 -12.778 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.950 -13.571 -4.104 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.824 -11.711 -2.970 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.204 -11.335 -2.535 1.00 0.00 C ATOM 1339 C TYR A 88 -9.281 -9.857 -2.140 1.00 0.00 C ATOM 1340 O TYR A 88 -10.238 -9.414 -1.539 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.545 -12.254 -1.348 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.536 -12.151 -0.211 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.550 -11.149 -0.179 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.611 -13.076 0.841 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.651 -11.082 0.893 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.710 -13.007 1.909 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.733 -12.009 1.936 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.849 -11.940 2.994 1.00 0.00 O ATOM 0 H TYR A 88 -7.082 -11.517 -2.298 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.920 -11.463 -3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.536 -12.001 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.590 -13.286 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.486 -10.430 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.368 -13.846 0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.893 -10.313 0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.770 -13.726 2.713 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.579 -11.008 3.134 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.277 -9.092 -2.471 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.292 -7.647 -2.113 1.00 0.00 C ATOM 1360 C GLY A 89 -8.063 -7.500 -0.611 1.00 0.00 C ATOM 1361 O GLY A 89 -7.145 -6.834 -0.174 1.00 0.00 O ATOM 0 H GLY A 89 -7.447 -9.406 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.517 -7.115 -2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.246 -7.200 -2.393 1.00 0.00 H new ATOM 1365 N SER A 90 -8.890 -8.119 0.186 1.00 0.00 N ATOM 1366 CA SER A 90 -8.720 -8.015 1.661 1.00 0.00 C ATOM 1367 C SER A 90 -9.475 -9.149 2.373 1.00 0.00 C ATOM 1368 O SER A 90 -10.568 -9.513 1.989 1.00 0.00 O ATOM 1369 CB SER A 90 -9.329 -6.666 2.023 1.00 0.00 C ATOM 1370 OG SER A 90 -10.728 -6.704 1.772 1.00 0.00 O ATOM 0 H SER A 90 -9.676 -8.692 -0.121 1.00 0.00 H new ATOM 0 HA SER A 90 -7.676 -8.096 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.141 -6.438 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.863 -5.874 1.437 1.00 0.00 H new ATOM 0 HG SER A 90 -11.022 -7.636 1.697 1.00 0.00 H new ATOM 1376 N LYS A 91 -8.901 -9.704 3.409 1.00 0.00 N ATOM 1377 CA LYS A 91 -9.582 -10.804 4.151 1.00 0.00 C ATOM 1378 C LYS A 91 -10.546 -10.221 5.188 1.00 0.00 C ATOM 1379 O LYS A 91 -11.487 -10.860 5.618 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.453 -11.565 4.848 1.00 0.00 C ATOM 1381 CG LYS A 91 -7.619 -10.589 5.687 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.531 -11.094 7.131 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.094 -9.948 8.050 1.00 0.00 C ATOM 1384 NZ LYS A 91 -7.894 -10.119 9.296 1.00 0.00 N ATOM 0 H LYS A 91 -7.986 -9.441 3.774 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.167 -11.447 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.866 -12.347 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.821 -12.057 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.619 -10.493 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.071 -9.597 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.498 -11.482 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.820 -11.918 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.025 -9.996 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.285 -8.979 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.648 -9.369 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.907 -10.061 9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.686 -11.047 9.717 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.298 -9.009 5.593 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.163 -8.341 6.607 1.00 0.00 C ATOM 1400 C GLY A 92 -10.426 -7.098 7.103 1.00 0.00 C ATOM 1401 O GLY A 92 -10.416 -6.784 8.276 1.00 0.00 O ATOM 0 H GLY A 92 -9.519 -8.442 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.123 -8.067 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.372 -9.017 7.436 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.785 -6.411 6.200 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.002 -5.196 6.568 1.00 0.00 C ATOM 1407 C LEU A 93 -9.869 -4.077 7.176 1.00 0.00 C ATOM 1408 O LEU A 93 -10.679 -3.453 6.526 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.319 -4.753 5.260 1.00 0.00 C ATOM 1410 CG LEU A 93 -9.306 -4.148 4.237 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -10.696 -4.801 4.305 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.434 -2.646 4.483 1.00 0.00 C ATOM 0 H LEU A 93 -9.770 -6.643 5.207 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.280 -5.419 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.548 -4.018 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.818 -5.610 4.810 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.905 -4.340 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.351 -4.340 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.608 -5.867 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.116 -4.660 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.130 -2.217 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.805 -2.473 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.458 -2.174 4.370 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.664 -3.806 8.434 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.422 -2.719 9.111 1.00 0.00 C ATOM 1426 C ASP A 94 -9.468 -1.552 9.373 1.00 0.00 C ATOM 1427 O ASP A 94 -8.386 -1.741 9.891 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.902 -3.329 10.427 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.693 -3.707 11.284 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.009 -4.651 10.924 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.469 -3.045 12.285 1.00 0.00 O ATOM 0 H ASP A 94 -8.996 -4.297 9.028 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.258 -2.344 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.532 -2.618 10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.512 -4.211 10.231 1.00 0.00 H new ATOM 1436 N THR A 95 -9.834 -0.353 9.013 1.00 0.00 N ATOM 1437 CA THR A 95 -8.898 0.783 9.251 1.00 0.00 C ATOM 1438 C THR A 95 -9.625 2.125 9.247 1.00 0.00 C ATOM 1439 O THR A 95 -10.831 2.201 9.372 1.00 0.00 O ATOM 1440 CB THR A 95 -7.912 0.728 8.087 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.938 1.745 8.246 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.654 0.930 6.768 1.00 0.00 C ATOM 0 H THR A 95 -10.722 -0.112 8.573 1.00 0.00 H new ATOM 0 HA THR A 95 -8.416 0.697 10.225 1.00 0.00 H new ATOM 0 HB THR A 95 -7.423 -0.246 8.075 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.101 1.349 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.944 0.890 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.399 0.144 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.149 1.901 6.774 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.880 3.185 9.096 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.492 4.538 9.070 1.00 0.00 C ATOM 1452 C ARG A 96 -9.983 4.849 7.657 1.00 0.00 C ATOM 1453 O ARG A 96 -10.628 5.850 7.419 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.361 5.492 9.462 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.729 5.033 10.779 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.506 6.246 11.687 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.166 6.777 11.306 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.612 7.724 12.016 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.356 8.564 12.680 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -4.312 7.834 12.059 1.00 0.00 N ATOM 0 H ARG A 96 -7.866 3.169 8.989 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.347 4.625 9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.607 5.519 8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.748 6.506 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.377 4.309 11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.781 4.531 10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.283 6.996 11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.532 5.961 12.739 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.681 6.401 10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.372 8.483 12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.922 9.303 13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.727 7.180 11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.881 8.574 12.614 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.675 4.000 6.713 1.00 0.00 N ATOM 1475 CA TYR A 97 -10.122 4.261 5.312 1.00 0.00 C ATOM 1476 C TYR A 97 -11.600 3.886 5.139 1.00 0.00 C ATOM 1477 O TYR A 97 -12.128 3.901 4.044 1.00 0.00 O ATOM 1478 CB TYR A 97 -9.230 3.378 4.437 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.848 3.988 4.345 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.922 3.788 5.379 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -7.492 4.752 3.227 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.644 4.353 5.293 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -6.213 5.316 3.142 1.00 0.00 C ATOM 1484 CZ TYR A 97 -5.289 5.115 4.175 1.00 0.00 C ATOM 1485 OH TYR A 97 -4.028 5.669 4.090 1.00 0.00 O ATOM 0 H TYR A 97 -9.138 3.144 6.848 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.037 5.314 5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.169 2.375 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.662 3.280 3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.195 3.198 6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.204 4.906 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.932 4.200 6.090 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.939 5.906 2.280 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.389 5.102 4.569 1.00 0.00 H new ATOM 1495 N SER A 98 -12.274 3.557 6.211 1.00 0.00 N ATOM 1496 CA SER A 98 -13.717 3.188 6.108 1.00 0.00 C ATOM 1497 C SER A 98 -13.889 1.970 5.202 1.00 0.00 C ATOM 1498 O SER A 98 -14.964 1.699 4.707 1.00 0.00 O ATOM 1499 CB SER A 98 -14.401 4.411 5.495 1.00 0.00 C ATOM 1500 OG SER A 98 -14.958 5.205 6.532 1.00 0.00 O ATOM 0 H SER A 98 -11.886 3.528 7.154 1.00 0.00 H new ATOM 0 HA SER A 98 -14.143 2.927 7.077 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.682 4.995 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.182 4.097 4.803 1.00 0.00 H new ATOM 0 HG SER A 98 -15.396 5.991 6.143 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.838 1.232 4.985 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.943 0.029 4.115 1.00 0.00 C ATOM 1508 C ASN A 99 -13.563 0.391 2.764 1.00 0.00 C ATOM 1509 O ASN A 99 -14.754 0.609 2.655 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.849 -0.929 4.884 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.985 -1.819 5.771 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.350 -2.936 6.076 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.838 -1.365 6.194 1.00 0.00 N ATOM 0 H ASN A 99 -11.911 1.409 5.372 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.968 -0.409 3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.561 -0.370 5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.430 -1.537 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.244 -1.949 6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.535 -0.426 5.936 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.767 0.442 1.731 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.321 0.777 0.385 1.00 0.00 C ATOM 1522 C ILE A 100 -12.304 0.549 -0.759 1.00 0.00 C ATOM 1523 O ILE A 100 -12.685 0.047 -1.798 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.780 2.254 0.419 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.168 3.048 1.590 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.302 2.291 0.555 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.353 4.215 1.033 1.00 0.00 C ATOM 0 H ILE A 100 -11.762 0.268 1.758 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.157 0.110 0.175 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.442 2.719 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.956 3.419 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.532 2.399 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.640 3.327 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.756 1.782 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.597 1.790 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.917 4.781 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.557 3.831 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.003 4.867 0.449 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.054 0.930 -0.573 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.052 0.755 -1.647 1.00 0.00 C ATOM 1541 C PRO A 101 -9.309 -0.580 -1.533 1.00 0.00 C ATOM 1542 O PRO A 101 -8.107 -0.636 -1.706 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.085 1.901 -1.396 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.209 2.232 0.064 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.445 1.550 0.602 1.00 0.00 C ATOM 0 HA PRO A 101 -10.507 0.754 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.064 1.612 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.333 2.764 -2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.324 1.897 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.279 3.311 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.192 0.807 1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.122 2.264 1.071 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.991 -1.657 -1.266 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.270 -2.963 -1.175 1.00 0.00 C ATOM 1555 C LEU A 102 -9.669 -3.857 -2.352 1.00 0.00 C ATOM 1556 O LEU A 102 -10.822 -3.897 -2.725 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.699 -3.610 0.148 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.815 -2.565 1.263 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.665 -1.563 1.176 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.143 -1.824 1.140 1.00 0.00 C ATOM 0 H LEU A 102 -10.998 -1.695 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.190 -2.824 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.657 -4.113 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.975 -4.373 0.435 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.768 -3.076 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.762 -0.828 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.716 -2.089 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.696 -1.057 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.221 -1.082 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.193 -1.325 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.965 -2.534 1.225 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.730 -4.565 -2.955 1.00 0.00 N ATOM 1573 CA LEU A 103 -9.098 -5.433 -4.139 1.00 0.00 C ATOM 1574 C LEU A 103 -7.820 -6.035 -4.788 1.00 0.00 C ATOM 1575 O LEU A 103 -6.753 -5.493 -4.647 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.821 -4.430 -5.069 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.946 -4.933 -6.504 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.582 -4.888 -7.182 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.513 -6.354 -6.519 1.00 0.00 C ATOM 0 H LEU A 103 -7.746 -4.582 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.717 -6.297 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.816 -4.227 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.278 -3.485 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.632 -4.289 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.673 -5.248 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.213 -3.862 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.883 -5.522 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.597 -6.701 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.848 -7.017 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.498 -6.357 -6.053 1.00 0.00 H new ATOM 1591 N THR A 104 -7.910 -7.158 -5.485 1.00 0.00 N ATOM 1592 CA THR A 104 -6.671 -7.759 -6.116 1.00 0.00 C ATOM 1593 C THR A 104 -5.957 -6.730 -7.020 1.00 0.00 C ATOM 1594 O THR A 104 -5.432 -5.750 -6.533 1.00 0.00 O ATOM 1595 CB THR A 104 -7.144 -8.979 -6.930 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.160 -9.308 -7.902 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.461 -8.660 -7.631 1.00 0.00 C ATOM 0 H THR A 104 -8.773 -7.678 -5.643 1.00 0.00 H new ATOM 0 HA THR A 104 -5.948 -8.055 -5.356 1.00 0.00 H new ATOM 0 HB THR A 104 -7.293 -9.822 -6.256 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.600 -9.575 -8.736 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.788 -9.528 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.218 -8.410 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.320 -7.814 -8.303 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.895 -6.938 -8.323 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.164 -5.937 -9.177 1.00 0.00 C ATOM 1607 C LYS A 105 -5.682 -5.813 -10.622 1.00 0.00 C ATOM 1608 O LYS A 105 -4.930 -5.412 -11.488 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.727 -6.429 -9.199 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.895 -5.562 -8.262 1.00 0.00 C ATOM 1611 CD LYS A 105 -2.374 -6.422 -7.118 1.00 0.00 C ATOM 1612 CE LYS A 105 -1.672 -7.668 -7.678 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.879 -7.183 -8.846 1.00 0.00 N ATOM 0 H LYS A 105 -6.305 -7.731 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.300 -4.941 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.681 -7.473 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.327 -6.381 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.063 -5.114 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.499 -4.743 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.679 -5.847 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.199 -6.719 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.027 -8.126 -6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.396 -8.424 -7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.024 -7.766 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.455 -7.253 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.605 -6.192 -8.692 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.941 -6.086 -10.856 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.488 -5.902 -12.222 1.00 0.00 C ATOM 1629 C PRO A 106 -7.526 -4.399 -12.539 1.00 0.00 C ATOM 1630 O PRO A 106 -7.849 -3.989 -13.636 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.898 -6.482 -12.129 1.00 0.00 C ATOM 1632 CG PRO A 106 -9.244 -6.379 -10.681 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.956 -6.580 -9.930 1.00 0.00 C ATOM 0 HA PRO A 106 -6.903 -6.382 -13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.600 -5.922 -12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.926 -7.516 -12.472 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.681 -5.407 -10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.980 -7.133 -10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.948 -6.025 -8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.796 -7.629 -9.681 1.00 0.00 H new ATOM 1641 N PHE A 107 -7.200 -3.578 -11.566 1.00 0.00 N ATOM 1642 CA PHE A 107 -7.206 -2.105 -11.765 1.00 0.00 C ATOM 1643 C PHE A 107 -8.619 -1.618 -12.074 1.00 0.00 C ATOM 1644 O PHE A 107 -8.844 -0.806 -12.949 1.00 0.00 O ATOM 1645 CB PHE A 107 -6.228 -1.841 -12.908 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.843 -1.697 -12.318 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -4.650 -0.880 -11.196 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.758 -2.383 -12.876 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -3.375 -0.745 -10.635 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.479 -2.249 -12.314 1.00 0.00 C ATOM 1651 CZ PHE A 107 -2.288 -1.428 -11.193 1.00 0.00 C ATOM 0 H PHE A 107 -6.927 -3.879 -10.630 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.899 -1.560 -10.873 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.252 -2.660 -13.626 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.508 -0.936 -13.447 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.487 -0.353 -10.763 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.905 -3.015 -13.739 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.230 -0.113 -9.771 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.642 -2.778 -12.745 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.304 -1.323 -10.761 1.00 0.00 H new ATOM 1661 N LEU A 108 -9.565 -2.096 -11.316 1.00 0.00 N ATOM 1662 CA LEU A 108 -10.978 -1.668 -11.484 1.00 0.00 C ATOM 1663 C LEU A 108 -11.395 -0.949 -10.204 1.00 0.00 C ATOM 1664 O LEU A 108 -11.738 -1.576 -9.224 1.00 0.00 O ATOM 1665 CB LEU A 108 -11.772 -2.963 -11.657 1.00 0.00 C ATOM 1666 CG LEU A 108 -12.553 -2.914 -12.969 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -11.579 -2.991 -14.146 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -13.514 -4.101 -13.026 1.00 0.00 C ATOM 0 H LEU A 108 -9.414 -2.778 -10.573 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.138 -0.999 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.097 -3.818 -11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.457 -3.096 -10.819 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.116 -1.982 -13.026 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.136 -2.956 -15.082 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.889 -2.148 -14.103 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.017 -3.923 -14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.074 -4.071 -13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.948 -5.031 -12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.207 -4.049 -12.186 1.00 0.00 H new ATOM 1680 N ASP A 109 -11.318 0.353 -10.184 1.00 0.00 N ATOM 1681 CA ASP A 109 -11.664 1.096 -8.939 1.00 0.00 C ATOM 1682 C ASP A 109 -10.652 0.733 -7.844 1.00 0.00 C ATOM 1683 O ASP A 109 -10.831 1.050 -6.689 1.00 0.00 O ATOM 1684 CB ASP A 109 -13.079 0.648 -8.550 1.00 0.00 C ATOM 1685 CG ASP A 109 -14.022 0.833 -9.741 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.546 1.214 -10.798 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -15.207 0.592 -9.576 1.00 0.00 O ATOM 0 H ASP A 109 -11.032 0.933 -10.973 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.632 2.177 -9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.068 -0.397 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.434 1.229 -7.699 1.00 0.00 H new ATOM 1692 N SER A 110 -9.593 0.050 -8.203 1.00 0.00 N ATOM 1693 CA SER A 110 -8.572 -0.352 -7.189 1.00 0.00 C ATOM 1694 C SER A 110 -7.644 0.823 -6.847 1.00 0.00 C ATOM 1695 O SER A 110 -8.024 1.727 -6.128 1.00 0.00 O ATOM 1696 CB SER A 110 -7.794 -1.485 -7.855 1.00 0.00 C ATOM 1697 OG SER A 110 -6.792 -1.955 -6.962 1.00 0.00 O ATOM 0 H SER A 110 -9.392 -0.247 -9.158 1.00 0.00 H new ATOM 0 HA SER A 110 -9.026 -0.661 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.470 -2.298 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.337 -1.133 -8.780 1.00 0.00 H new ATOM 0 HG SER A 110 -6.292 -2.684 -7.386 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.428 0.814 -7.345 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.478 1.927 -7.037 1.00 0.00 C ATOM 1705 C GLU A 111 -6.216 3.269 -7.023 1.00 0.00 C ATOM 1706 O GLU A 111 -5.844 4.191 -6.319 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.437 1.881 -8.161 1.00 0.00 C ATOM 1708 CG GLU A 111 -5.013 2.508 -9.434 1.00 0.00 C ATOM 1709 CD GLU A 111 -4.674 3.998 -9.473 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -4.065 4.471 -8.527 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -5.027 4.640 -10.448 1.00 0.00 O ATOM 0 H GLU A 111 -6.055 0.083 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.016 1.819 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.537 2.416 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.144 0.849 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.605 2.009 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.094 2.370 -9.462 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.271 3.379 -7.781 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.045 4.648 -7.800 1.00 0.00 C ATOM 1720 C LEU A 112 -8.648 4.893 -6.418 1.00 0.00 C ATOM 1721 O LEU A 112 -8.271 5.813 -5.721 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.136 4.422 -8.842 1.00 0.00 C ATOM 1723 CG LEU A 112 -8.490 3.912 -10.128 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -9.179 2.621 -10.578 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.627 4.971 -11.224 1.00 0.00 C ATOM 0 H LEU A 112 -7.630 2.643 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.435 5.518 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.866 3.700 -8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.674 5.351 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.435 3.712 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.714 2.261 -11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.078 1.864 -9.800 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.236 2.817 -10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.166 4.607 -12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.683 5.174 -11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.130 5.888 -10.908 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.566 4.064 -6.002 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.161 4.254 -4.650 1.00 0.00 C ATOM 1739 C GLU A 113 -9.051 4.335 -3.618 1.00 0.00 C ATOM 1740 O GLU A 113 -9.239 4.834 -2.530 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.008 3.013 -4.385 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.329 3.446 -3.761 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.457 2.550 -4.274 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.880 2.752 -5.401 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.878 1.677 -3.533 1.00 0.00 O ATOM 0 H GLU A 113 -9.926 3.272 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.753 5.167 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.188 2.473 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.481 2.331 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.267 3.384 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.536 4.487 -4.009 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.899 3.834 -3.947 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.777 3.877 -2.974 1.00 0.00 C ATOM 1754 C ALA A 114 -6.385 5.330 -2.708 1.00 0.00 C ATOM 1755 O ALA A 114 -6.017 5.696 -1.610 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.635 3.124 -3.652 1.00 0.00 C ATOM 0 H ALA A 114 -7.685 3.398 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.036 3.432 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.766 3.112 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.947 2.101 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.375 3.621 -4.587 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.461 6.159 -3.711 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.091 7.594 -3.525 1.00 0.00 C ATOM 1764 C VAL A 115 -7.342 8.483 -3.504 1.00 0.00 C ATOM 1765 O VAL A 115 -7.424 9.439 -2.759 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.218 7.933 -4.733 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.482 9.248 -4.476 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.198 6.814 -4.958 1.00 0.00 C ATOM 0 H VAL A 115 -6.763 5.907 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.575 7.762 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.847 8.034 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.859 9.491 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.207 10.046 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.854 9.146 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.576 7.057 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.569 6.712 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.722 5.876 -5.141 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.306 8.181 -4.329 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.547 9.011 -4.380 1.00 0.00 C ATOM 1780 C LEU A 116 -10.242 9.068 -3.013 1.00 0.00 C ATOM 1781 O LEU A 116 -10.947 10.007 -2.704 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.437 8.305 -5.399 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.383 9.321 -6.031 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -10.663 10.039 -7.173 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.616 8.598 -6.574 1.00 0.00 C ATOM 0 H LEU A 116 -8.289 7.391 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.331 10.044 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.825 7.833 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.007 7.513 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.693 10.050 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.336 10.766 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.784 10.552 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.355 9.311 -7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.293 9.323 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.310 7.870 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.126 8.085 -5.758 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.063 8.066 -2.205 1.00 0.00 N ATOM 1798 CA VAL A 117 -10.727 8.046 -0.865 1.00 0.00 C ATOM 1799 C VAL A 117 -10.401 9.301 -0.039 1.00 0.00 C ATOM 1800 O VAL A 117 -11.017 9.548 0.978 1.00 0.00 O ATOM 1801 CB VAL A 117 -10.155 6.807 -0.173 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -8.640 6.767 -0.387 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -10.448 6.875 1.327 1.00 0.00 C ATOM 0 H VAL A 117 -9.483 7.253 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.812 8.025 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.614 5.912 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.226 5.886 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.424 6.722 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -8.189 7.664 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.040 5.992 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.988 7.769 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.526 6.913 1.486 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.428 10.077 -0.428 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.082 11.272 0.391 1.00 0.00 C ATOM 1815 C GLN A 118 -9.227 12.577 -0.407 1.00 0.00 C ATOM 1816 O GLN A 118 -9.408 13.635 0.163 1.00 0.00 O ATOM 1817 CB GLN A 118 -7.621 11.046 0.794 1.00 0.00 C ATOM 1818 CG GLN A 118 -7.452 9.640 1.388 1.00 0.00 C ATOM 1819 CD GLN A 118 -7.623 9.709 2.901 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -7.098 8.887 3.626 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -8.341 10.666 3.411 1.00 0.00 N ATOM 0 H GLN A 118 -8.864 9.939 -1.266 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.748 11.379 1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.973 11.163 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.316 11.797 1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.187 8.960 0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.468 9.243 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.781 11.355 2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.464 10.728 4.422 1.00 0.00 H new