USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 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 107 LYS NZ :NH3+ -155:sc= 0.266 (180deg=0) USER MOD Set 1.2: A 126 THR OG1 : rot 180:sc= 0.246 USER MOD Set 2.1: A 57 THR OG1 : rot -63:sc= 0.0591 USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0.0564 USER MOD Set 3.1: A 55 HIS : no HE2:sc= -1.45 K(o=-0.88,f=-10!) USER MOD Set 3.2: A 69 SER OG : rot 117:sc= 0.576 USER MOD Set 4.1: A 34 LYS NZ :NH3+ 171:sc= 0.503 (180deg=0.464) USER MOD Set 4.2: A 96 MET CE :methyl 154:sc= -1.34 (180deg=-0.224) USER MOD Set 4.3: A 102 CYS SG : rot -122:sc= -3.54! USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= 0.137 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -149:sc= 0.0156 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -179:sc= 0.444 (180deg=0.443) USER MOD Single : A 95 THR OG1 : rot 4:sc= 0.527 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -150:sc= -3.62! USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -50:sc= 0.578 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 137 LYS NZ :NH3+ 163:sc= 0.474 (180deg=0.347) USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -1.231 11.674 7.588 1.00 0.00 N ATOM 149 CA GLY A 31 -0.335 10.560 7.208 1.00 0.00 C ATOM 150 C GLY A 31 -0.308 9.815 5.886 1.00 0.00 C ATOM 151 O GLY A 31 0.740 9.725 5.241 1.00 0.00 O ATOM 0 HA2 GLY A 31 0.676 10.944 7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.489 9.794 7.968 1.00 0.00 H new ATOM 155 N VAL A 32 -1.435 9.207 5.552 1.00 0.00 N ATOM 156 CA VAL A 32 -1.496 8.326 4.332 1.00 0.00 C ATOM 157 C VAL A 32 -2.961 8.191 3.790 1.00 0.00 C ATOM 158 O VAL A 32 -3.642 9.181 3.581 1.00 0.00 O ATOM 159 CB VAL A 32 -0.673 6.990 4.645 1.00 0.00 C ATOM 160 CG1 VAL A 32 -1.316 6.032 5.663 1.00 0.00 C ATOM 161 CG2 VAL A 32 -0.280 6.107 3.441 1.00 0.00 C ATOM 0 H VAL A 32 -2.310 9.284 6.071 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.999 8.766 3.468 1.00 0.00 H new ATOM 0 HB VAL A 32 0.218 7.463 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.674 5.161 5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.440 6.544 6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.290 5.711 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.272 5.236 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.180 5.780 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.346 6.681 2.758 1.00 0.00 H new ATOM 171 N LEU A 33 -3.316 7.005 3.333 1.00 0.00 N ATOM 172 CA LEU A 33 -4.671 6.517 2.920 1.00 0.00 C ATOM 173 C LEU A 33 -4.640 5.830 1.520 1.00 0.00 C ATOM 174 O LEU A 33 -3.565 5.848 0.894 1.00 0.00 O ATOM 175 CB LEU A 33 -5.939 6.923 3.749 1.00 0.00 C ATOM 176 CG LEU A 33 -6.470 5.976 4.872 1.00 0.00 C ATOM 177 CD1 LEU A 33 -5.431 5.691 5.972 1.00 0.00 C ATOM 178 CD2 LEU A 33 -7.712 6.588 5.538 1.00 0.00 C ATOM 0 H LEU A 33 -2.617 6.271 3.221 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.280 5.758 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.730 7.888 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.754 7.077 3.042 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.707 5.033 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.865 5.027 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.555 5.216 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.136 6.627 6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.073 5.919 6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.452 7.551 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.493 6.729 4.791 1.00 0.00 H new ATOM 190 N LYS A 34 -5.698 5.135 1.020 1.00 0.00 N ATOM 191 CA LYS A 34 -5.432 4.201 -0.126 1.00 0.00 C ATOM 192 C LYS A 34 -6.610 3.878 -1.066 1.00 0.00 C ATOM 193 O LYS A 34 -7.661 3.426 -0.627 1.00 0.00 O ATOM 194 CB LYS A 34 -4.745 2.907 0.436 1.00 0.00 C ATOM 195 CG LYS A 34 -5.330 2.179 1.684 1.00 0.00 C ATOM 196 CD LYS A 34 -6.235 0.971 1.398 1.00 0.00 C ATOM 197 CE LYS A 34 -5.461 -0.348 1.277 1.00 0.00 C ATOM 198 NZ LYS A 34 -6.413 -1.426 0.955 1.00 0.00 N ATOM 0 H LYS A 34 -6.662 5.187 1.350 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.769 4.744 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.715 2.180 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.712 3.167 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.500 1.846 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.898 2.903 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.972 0.880 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.785 1.148 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.701 -0.270 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.942 -0.568 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.889 -2.293 0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.027 -1.604 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.996 -1.143 0.141 1.00 0.00 H new ATOM 211 N VAL A 35 -6.376 4.006 -2.380 1.00 0.00 N ATOM 212 CA VAL A 35 -7.431 3.817 -3.429 1.00 0.00 C ATOM 213 C VAL A 35 -7.694 2.303 -3.696 1.00 0.00 C ATOM 214 O VAL A 35 -6.774 1.599 -4.118 1.00 0.00 O ATOM 215 CB VAL A 35 -7.103 4.545 -4.782 1.00 0.00 C ATOM 216 CG1 VAL A 35 -8.368 4.799 -5.635 1.00 0.00 C ATOM 217 CG2 VAL A 35 -6.350 5.885 -4.662 1.00 0.00 C ATOM 0 H VAL A 35 -5.460 4.242 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.332 4.279 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.432 3.835 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.088 5.304 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.845 3.848 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.064 5.424 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.178 6.296 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.946 6.586 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.393 5.721 -4.167 1.00 0.00 H new ATOM 227 N ILE A 36 -8.926 1.805 -3.487 1.00 0.00 N ATOM 228 CA ILE A 36 -9.233 0.356 -3.724 1.00 0.00 C ATOM 229 C ILE A 36 -9.640 0.076 -5.210 1.00 0.00 C ATOM 230 O ILE A 36 -10.430 0.798 -5.822 1.00 0.00 O ATOM 231 CB ILE A 36 -10.189 -0.264 -2.614 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.365 -1.009 -1.523 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.321 -1.219 -3.097 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.696 -2.329 -1.973 1.00 0.00 C ATOM 0 H ILE A 36 -9.719 2.358 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.307 -0.205 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.697 0.619 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.589 -0.336 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.023 -1.225 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.894 -1.567 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.980 -0.685 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.881 -2.074 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.149 -2.763 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.461 -3.029 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.006 -2.126 -2.792 1.00 0.00 H new ATOM 246 N LYS A 37 -9.077 -1.010 -5.751 1.00 0.00 N ATOM 247 CA LYS A 37 -9.372 -1.514 -7.119 1.00 0.00 C ATOM 248 C LYS A 37 -9.980 -2.962 -7.056 1.00 0.00 C ATOM 249 O LYS A 37 -11.104 -3.196 -7.506 1.00 0.00 O ATOM 250 CB LYS A 37 -8.059 -1.376 -7.946 1.00 0.00 C ATOM 251 CG LYS A 37 -8.137 -1.966 -9.373 1.00 0.00 C ATOM 252 CD LYS A 37 -6.909 -1.678 -10.260 1.00 0.00 C ATOM 253 CE LYS A 37 -5.661 -2.472 -9.843 1.00 0.00 C ATOM 254 NZ LYS A 37 -4.550 -2.190 -10.771 1.00 0.00 N ATOM 0 H LYS A 37 -8.393 -1.579 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.143 -0.932 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.798 -0.320 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.251 -1.869 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.268 -3.045 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.025 -1.571 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.153 -1.915 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.683 -0.612 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.373 -2.205 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.883 -3.539 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.370 -3.027 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.802 -1.385 -11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.694 -1.959 -10.228 1.00 0.00 H new ATOM 267 N ARG A 38 -9.222 -3.919 -6.506 1.00 0.00 N ATOM 268 CA ARG A 38 -9.632 -5.336 -6.369 1.00 0.00 C ATOM 269 C ARG A 38 -9.627 -5.678 -4.835 1.00 0.00 C ATOM 270 O ARG A 38 -8.564 -5.991 -4.289 1.00 0.00 O ATOM 271 CB ARG A 38 -8.623 -6.201 -7.179 1.00 0.00 C ATOM 272 CG ARG A 38 -8.874 -7.738 -7.140 1.00 0.00 C ATOM 273 CD ARG A 38 -7.633 -8.570 -6.764 1.00 0.00 C ATOM 274 NE ARG A 38 -6.719 -8.707 -7.928 1.00 0.00 N ATOM 275 CZ ARG A 38 -5.486 -9.191 -7.883 1.00 0.00 C ATOM 276 NH1 ARG A 38 -4.879 -9.574 -6.798 1.00 0.00 N ATOM 277 NH2 ARG A 38 -4.853 -9.282 -8.997 1.00 0.00 N ATOM 0 H ARG A 38 -8.290 -3.735 -6.135 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.630 -5.533 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.643 -5.874 -8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.619 -6.005 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.669 -7.947 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.232 -8.061 -8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.107 -8.094 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.942 -9.557 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.070 -8.403 -8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.355 -9.512 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.927 -9.936 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.302 -8.988 -9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.901 -9.648 -9.014 1.00 0.00 H new ATOM 290 N GLU A 39 -10.752 -5.592 -4.094 1.00 0.00 N ATOM 291 CA GLU A 39 -10.789 -6.002 -2.652 1.00 0.00 C ATOM 292 C GLU A 39 -10.441 -7.538 -2.408 1.00 0.00 C ATOM 293 O GLU A 39 -10.436 -8.336 -3.352 1.00 0.00 O ATOM 294 CB GLU A 39 -12.096 -5.526 -1.946 1.00 0.00 C ATOM 295 CG GLU A 39 -13.466 -5.665 -2.672 1.00 0.00 C ATOM 296 CD GLU A 39 -13.833 -4.498 -3.595 1.00 0.00 C ATOM 297 OE1 GLU A 39 -14.315 -3.442 -3.203 1.00 0.00 O ATOM 298 OE2 GLU A 39 -13.552 -4.755 -4.901 1.00 0.00 O ATOM 0 H GLU A 39 -11.642 -5.248 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.971 -5.473 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.172 -6.068 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.966 -4.473 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.457 -6.583 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.248 -5.774 -1.921 1.00 0.00 H new ATOM 306 N GLY A 40 -10.127 -7.977 -1.166 1.00 0.00 N ATOM 307 CA GLY A 40 -9.671 -9.368 -0.908 1.00 0.00 C ATOM 308 C GLY A 40 -10.621 -10.583 -1.013 1.00 0.00 C ATOM 309 O GLY A 40 -11.842 -10.491 -1.138 1.00 0.00 O ATOM 0 H GLY A 40 -10.180 -7.394 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.844 -9.558 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.259 -9.380 0.101 1.00 0.00 H new ATOM 313 N THR A 41 -9.972 -11.749 -0.938 1.00 0.00 N ATOM 314 CA THR A 41 -10.628 -13.094 -0.979 1.00 0.00 C ATOM 315 C THR A 41 -10.748 -13.591 0.493 1.00 0.00 C ATOM 316 O THR A 41 -11.850 -13.739 1.028 1.00 0.00 O ATOM 317 CB THR A 41 -9.842 -14.050 -1.936 1.00 0.00 C ATOM 318 OG1 THR A 41 -8.468 -14.153 -1.572 1.00 0.00 O ATOM 319 CG2 THR A 41 -9.854 -13.602 -3.403 1.00 0.00 C ATOM 0 H THR A 41 -8.958 -11.804 -0.845 1.00 0.00 H new ATOM 0 HA THR A 41 -11.633 -13.057 -1.398 1.00 0.00 H new ATOM 0 HB THR A 41 -10.362 -15.002 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.010 -14.759 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.289 -14.314 -4.005 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.882 -13.558 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.399 -12.615 -3.486 1.00 0.00 H new ATOM 327 N GLY A 42 -9.596 -13.809 1.156 1.00 0.00 N ATOM 328 CA GLY A 42 -9.529 -14.063 2.605 1.00 0.00 C ATOM 329 C GLY A 42 -9.704 -12.704 3.327 1.00 0.00 C ATOM 330 O GLY A 42 -8.787 -11.883 3.366 1.00 0.00 O ATOM 0 H GLY A 42 -8.684 -13.814 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.310 -14.761 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.575 -14.518 2.870 1.00 0.00 H new ATOM 334 N THR A 43 -10.907 -12.479 3.859 1.00 0.00 N ATOM 335 CA THR A 43 -11.318 -11.211 4.550 1.00 0.00 C ATOM 336 C THR A 43 -10.405 -10.661 5.686 1.00 0.00 C ATOM 337 O THR A 43 -10.454 -9.470 6.000 1.00 0.00 O ATOM 338 CB THR A 43 -12.772 -11.351 5.080 1.00 0.00 C ATOM 339 OG1 THR A 43 -13.201 -12.477 5.834 1.00 0.00 O ATOM 340 CG2 THR A 43 -13.837 -11.255 3.964 1.00 0.00 C ATOM 0 H THR A 43 -11.653 -13.174 3.832 1.00 0.00 H new ATOM 0 HA THR A 43 -11.220 -10.462 3.764 1.00 0.00 H new ATOM 0 HB THR A 43 -12.700 -10.515 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.090 -12.302 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.831 -11.360 4.399 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.759 -10.287 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.674 -12.050 3.236 1.00 0.00 H new ATOM 348 N GLU A 44 -9.585 -11.516 6.310 1.00 0.00 N ATOM 349 CA GLU A 44 -8.599 -11.087 7.317 1.00 0.00 C ATOM 350 C GLU A 44 -7.475 -10.129 6.803 1.00 0.00 C ATOM 351 O GLU A 44 -7.072 -10.120 5.633 1.00 0.00 O ATOM 352 CB GLU A 44 -7.969 -12.358 7.958 1.00 0.00 C ATOM 353 CG GLU A 44 -8.785 -12.810 9.179 1.00 0.00 C ATOM 354 CD GLU A 44 -8.014 -13.677 10.169 1.00 0.00 C ATOM 355 OE1 GLU A 44 -8.060 -14.901 10.197 1.00 0.00 O ATOM 356 OE2 GLU A 44 -7.253 -12.925 11.010 1.00 0.00 O ATOM 0 H GLU A 44 -9.584 -12.521 6.134 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.148 -10.488 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.930 -13.161 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.942 -12.150 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.155 -11.927 9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.657 -13.364 8.832 1.00 0.00 H new ATOM 364 N THR A 45 -6.995 -9.360 7.786 1.00 0.00 N ATOM 365 CA THR A 45 -5.888 -8.365 7.625 1.00 0.00 C ATOM 366 C THR A 45 -4.620 -8.743 8.469 1.00 0.00 C ATOM 367 O THR A 45 -4.755 -9.541 9.410 1.00 0.00 O ATOM 368 CB THR A 45 -6.343 -6.932 8.028 1.00 0.00 C ATOM 369 OG1 THR A 45 -6.854 -6.884 9.359 1.00 0.00 O ATOM 370 CG2 THR A 45 -7.386 -6.286 7.105 1.00 0.00 C ATOM 0 H THR A 45 -7.359 -9.399 8.738 1.00 0.00 H new ATOM 0 HA THR A 45 -5.626 -8.383 6.567 1.00 0.00 H new ATOM 0 HB THR A 45 -5.422 -6.356 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.126 -5.967 9.572 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.633 -5.291 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.980 -6.207 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.286 -6.900 7.087 1.00 0.00 H new ATOM 378 N PRO A 46 -3.381 -8.198 8.254 1.00 0.00 N ATOM 379 CA PRO A 46 -2.214 -8.593 9.080 1.00 0.00 C ATOM 380 C PRO A 46 -2.201 -7.968 10.529 1.00 0.00 C ATOM 381 O PRO A 46 -2.645 -6.830 10.722 1.00 0.00 O ATOM 382 CB PRO A 46 -1.056 -8.081 8.219 1.00 0.00 C ATOM 383 CG PRO A 46 -1.595 -6.862 7.490 1.00 0.00 C ATOM 384 CD PRO A 46 -3.006 -7.308 7.120 1.00 0.00 C ATOM 0 HA PRO A 46 -2.190 -9.661 9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.195 -7.820 8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.724 -8.844 7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.601 -5.977 8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.001 -6.618 6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.686 -6.461 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.026 -7.837 6.167 1.00 0.00 H new ATOM 392 N MET A 47 -1.691 -8.679 11.556 1.00 0.00 N ATOM 393 CA MET A 47 -1.598 -8.128 12.942 1.00 0.00 C ATOM 394 C MET A 47 -0.223 -7.402 13.164 1.00 0.00 C ATOM 395 O MET A 47 0.715 -7.584 12.376 1.00 0.00 O ATOM 396 CB MET A 47 -1.882 -9.281 13.948 1.00 0.00 C ATOM 397 CG MET A 47 -0.952 -10.513 13.885 1.00 0.00 C ATOM 398 SD MET A 47 -1.225 -11.585 15.306 1.00 0.00 S ATOM 399 CE MET A 47 -0.036 -12.876 14.910 1.00 0.00 C ATOM 0 H MET A 47 -1.337 -9.631 11.462 1.00 0.00 H new ATOM 0 HA MET A 47 -2.350 -7.356 13.109 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.832 -8.870 14.956 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.906 -9.621 13.793 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.135 -11.067 12.964 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.089 -10.189 13.861 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.059 -13.642 15.685 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.292 -13.324 13.950 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.964 -12.445 14.854 1.00 0.00 H new ATOM 409 N ILE A 48 -0.051 -6.569 14.218 1.00 0.00 N ATOM 410 CA ILE A 48 1.251 -5.863 14.448 1.00 0.00 C ATOM 411 C ILE A 48 2.431 -6.879 14.678 1.00 0.00 C ATOM 412 O ILE A 48 2.340 -7.834 15.455 1.00 0.00 O ATOM 413 CB ILE A 48 1.165 -4.640 15.437 1.00 0.00 C ATOM 414 CG1 ILE A 48 1.578 -3.299 14.759 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.929 -4.789 16.776 1.00 0.00 C ATOM 416 CD1 ILE A 48 2.988 -3.160 14.154 1.00 0.00 C ATOM 0 H ILE A 48 -0.771 -6.367 14.911 1.00 0.00 H new ATOM 0 HA ILE A 48 1.511 -5.354 13.520 1.00 0.00 H new ATOM 0 HB ILE A 48 0.106 -4.624 15.695 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.860 -3.100 13.964 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.461 -2.508 15.500 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.797 -3.886 17.373 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.539 -5.647 17.324 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.990 -4.939 16.575 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.103 -2.164 13.725 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.735 -3.308 14.934 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.125 -3.909 13.374 1.00 0.00 H new ATOM 428 N GLY A 49 3.517 -6.654 13.941 1.00 0.00 N ATOM 429 CA GLY A 49 4.680 -7.593 13.920 1.00 0.00 C ATOM 430 C GLY A 49 4.532 -8.943 13.147 1.00 0.00 C ATOM 431 O GLY A 49 5.367 -9.830 13.341 1.00 0.00 O ATOM 0 H GLY A 49 3.634 -5.835 13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.530 -7.059 13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.935 -7.828 14.953 1.00 0.00 H new ATOM 435 N ASP A 50 3.521 -9.122 12.273 1.00 0.00 N ATOM 436 CA ASP A 50 3.316 -10.376 11.480 1.00 0.00 C ATOM 437 C ASP A 50 4.033 -10.284 10.087 1.00 0.00 C ATOM 438 O ASP A 50 4.245 -9.200 9.532 1.00 0.00 O ATOM 439 CB ASP A 50 1.793 -10.714 11.527 1.00 0.00 C ATOM 440 CG ASP A 50 1.073 -11.386 10.362 1.00 0.00 C ATOM 441 OD1 ASP A 50 0.047 -10.936 9.861 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.660 -12.550 9.973 1.00 0.00 O ATOM 0 H ASP A 50 2.817 -8.407 12.089 1.00 0.00 H new ATOM 0 HA ASP A 50 3.809 -11.252 11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.640 -11.350 12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.270 -9.777 11.720 1.00 0.00 H new ATOM 448 N ARG A 51 4.397 -11.447 9.519 1.00 0.00 N ATOM 449 CA ARG A 51 5.185 -11.486 8.252 1.00 0.00 C ATOM 450 C ARG A 51 4.237 -11.374 7.027 1.00 0.00 C ATOM 451 O ARG A 51 3.289 -12.151 6.921 1.00 0.00 O ATOM 452 CB ARG A 51 6.087 -12.753 8.280 1.00 0.00 C ATOM 453 CG ARG A 51 7.107 -12.855 7.115 1.00 0.00 C ATOM 454 CD ARG A 51 8.358 -13.708 7.404 1.00 0.00 C ATOM 455 NE ARG A 51 8.106 -15.177 7.398 1.00 0.00 N ATOM 456 CZ ARG A 51 9.046 -16.108 7.571 1.00 0.00 C ATOM 457 NH1 ARG A 51 10.297 -15.845 7.809 1.00 0.00 N ATOM 458 NH2 ARG A 51 8.709 -17.349 7.498 1.00 0.00 N ATOM 0 H ARG A 51 4.168 -12.364 9.902 1.00 0.00 H new ATOM 0 HA ARG A 51 5.853 -10.630 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.632 -12.772 9.224 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.448 -13.636 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.598 -13.270 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.428 -11.849 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.121 -13.478 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.763 -13.423 8.375 1.00 0.00 H new ATOM 0 HE ARG A 51 7.147 -15.493 7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.611 -14.877 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.964 -16.607 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.739 -17.604 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.412 -18.077 7.627 1.00 0.00 H new ATOM 471 N VAL A 52 4.472 -10.392 6.144 1.00 0.00 N ATOM 472 CA VAL A 52 3.589 -10.117 4.967 1.00 0.00 C ATOM 473 C VAL A 52 4.406 -10.259 3.640 1.00 0.00 C ATOM 474 O VAL A 52 5.492 -9.682 3.510 1.00 0.00 O ATOM 475 CB VAL A 52 2.821 -8.736 5.115 1.00 0.00 C ATOM 476 CG1 VAL A 52 2.270 -8.452 6.535 1.00 0.00 C ATOM 477 CG2 VAL A 52 3.559 -7.465 4.633 1.00 0.00 C ATOM 0 H VAL A 52 5.271 -9.761 6.212 1.00 0.00 H new ATOM 0 HA VAL A 52 2.799 -10.867 4.927 1.00 0.00 H new ATOM 0 HB VAL A 52 2.000 -8.919 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.761 -7.488 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.566 -9.236 6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.094 -8.432 7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.924 -6.593 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.485 -7.346 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.790 -7.559 3.572 1.00 0.00 H new ATOM 487 N PHE A 53 3.884 -10.986 2.637 1.00 0.00 N ATOM 488 CA PHE A 53 4.550 -11.189 1.339 1.00 0.00 C ATOM 489 C PHE A 53 3.772 -10.277 0.343 1.00 0.00 C ATOM 490 O PHE A 53 2.701 -10.566 -0.197 1.00 0.00 O ATOM 491 CB PHE A 53 4.545 -12.698 1.012 1.00 0.00 C ATOM 492 CG PHE A 53 5.227 -13.609 2.054 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.601 -13.842 1.985 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.496 -14.115 3.138 1.00 0.00 C ATOM 495 CE1 PHE A 53 7.237 -14.595 2.969 1.00 0.00 C ATOM 496 CE2 PHE A 53 5.139 -14.844 4.129 1.00 0.00 C ATOM 497 CZ PHE A 53 6.503 -15.104 4.036 1.00 0.00 C ATOM 0 H PHE A 53 2.980 -11.453 2.705 1.00 0.00 H new ATOM 0 HA PHE A 53 5.603 -10.909 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.511 -13.022 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.037 -12.845 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.174 -13.436 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.433 -13.938 3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.298 -14.784 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.578 -15.211 4.976 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.992 -15.701 4.792 1.00 0.00 H new ATOM 507 N VAL A 54 4.355 -9.101 0.241 1.00 0.00 N ATOM 508 CA VAL A 54 3.887 -7.942 -0.550 1.00 0.00 C ATOM 509 C VAL A 54 4.608 -7.939 -1.921 1.00 0.00 C ATOM 510 O VAL A 54 5.546 -8.676 -2.231 1.00 0.00 O ATOM 511 CB VAL A 54 4.243 -6.615 0.295 1.00 0.00 C ATOM 512 CG1 VAL A 54 5.616 -6.618 1.009 1.00 0.00 C ATOM 513 CG2 VAL A 54 4.394 -5.255 -0.429 1.00 0.00 C ATOM 0 H VAL A 54 5.225 -8.898 0.733 1.00 0.00 H new ATOM 0 HA VAL A 54 2.814 -7.986 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 54 3.349 -6.678 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.749 -5.678 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.657 -7.448 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.410 -6.730 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.633 -4.480 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.195 -5.322 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.460 -5.005 -0.932 1.00 0.00 H new ATOM 523 N HIS A 55 4.102 -7.080 -2.781 1.00 0.00 N ATOM 524 CA HIS A 55 4.886 -6.611 -3.928 1.00 0.00 C ATOM 525 C HIS A 55 4.360 -5.155 -4.151 1.00 0.00 C ATOM 526 O HIS A 55 3.159 -4.861 -4.092 1.00 0.00 O ATOM 527 CB HIS A 55 5.019 -7.581 -5.155 1.00 0.00 C ATOM 528 CG HIS A 55 5.201 -6.854 -6.456 1.00 0.00 C ATOM 529 ND1 HIS A 55 6.268 -6.030 -6.744 1.00 0.00 N ATOM 530 CD2 HIS A 55 4.167 -6.708 -7.366 1.00 0.00 C ATOM 531 CE1 HIS A 55 5.825 -5.494 -7.917 1.00 0.00 C ATOM 532 NE2 HIS A 55 4.527 -5.758 -8.324 1.00 0.00 N ATOM 0 H HIS A 55 3.162 -6.690 -2.718 1.00 0.00 H new ATOM 0 HA HIS A 55 5.959 -6.602 -3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.867 -8.247 -4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.129 -8.207 -5.215 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.134 -5.869 -6.230 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.230 -7.244 -7.339 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.474 -4.875 -8.518 1.00 0.00 H new ATOM 540 N TYR A 56 5.318 -4.260 -4.408 1.00 0.00 N ATOM 541 CA TYR A 56 4.987 -2.818 -4.621 1.00 0.00 C ATOM 542 C TYR A 56 5.484 -2.266 -6.021 1.00 0.00 C ATOM 543 O TYR A 56 6.513 -2.669 -6.575 1.00 0.00 O ATOM 544 CB TYR A 56 5.541 -1.815 -3.539 1.00 0.00 C ATOM 545 CG TYR A 56 7.055 -1.578 -3.489 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.909 -2.367 -2.722 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.584 -0.534 -4.250 1.00 0.00 C ATOM 548 CE1 TYR A 56 9.265 -2.043 -2.638 1.00 0.00 C ATOM 549 CE2 TYR A 56 8.937 -0.266 -4.218 1.00 0.00 C ATOM 550 CZ TYR A 56 9.780 -0.991 -3.389 1.00 0.00 C ATOM 551 OH TYR A 56 11.093 -0.628 -3.271 1.00 0.00 O ATOM 0 H TYR A 56 6.311 -4.484 -4.476 1.00 0.00 H new ATOM 0 HA TYR A 56 3.899 -2.843 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.057 -0.851 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.226 -2.173 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.524 -3.227 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.931 0.066 -4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.915 -2.610 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.343 0.515 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 56 11.182 0.334 -3.434 1.00 0.00 H new ATOM 561 N THR A 57 4.780 -1.251 -6.515 1.00 0.00 N ATOM 562 CA THR A 57 5.300 -0.292 -7.554 1.00 0.00 C ATOM 563 C THR A 57 5.295 1.103 -6.837 1.00 0.00 C ATOM 564 O THR A 57 4.495 1.329 -5.927 1.00 0.00 O ATOM 565 CB THR A 57 4.555 -0.244 -8.919 1.00 0.00 C ATOM 566 OG1 THR A 57 4.529 -1.550 -9.479 1.00 0.00 O ATOM 567 CG2 THR A 57 5.251 0.675 -9.951 1.00 0.00 C ATOM 0 H THR A 57 3.825 -1.048 -6.221 1.00 0.00 H new ATOM 0 HA THR A 57 6.285 -0.630 -7.875 1.00 0.00 H new ATOM 0 HB THR A 57 3.557 0.146 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.445 -1.846 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.686 0.668 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.296 1.692 -9.561 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.262 0.313 -10.137 1.00 0.00 H new ATOM 575 N GLY A 58 6.169 2.059 -7.168 1.00 0.00 N ATOM 576 CA GLY A 58 6.158 3.379 -6.500 1.00 0.00 C ATOM 577 C GLY A 58 6.697 4.557 -7.339 1.00 0.00 C ATOM 578 O GLY A 58 7.627 4.457 -8.142 1.00 0.00 O ATOM 0 H GLY A 58 6.887 1.953 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.134 3.607 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.747 3.308 -5.586 1.00 0.00 H new ATOM 582 N TRP A 59 6.049 5.697 -7.099 1.00 0.00 N ATOM 583 CA TRP A 59 6.274 6.975 -7.789 1.00 0.00 C ATOM 584 C TRP A 59 6.468 8.185 -6.823 1.00 0.00 C ATOM 585 O TRP A 59 5.984 8.211 -5.687 1.00 0.00 O ATOM 586 CB TRP A 59 5.111 7.341 -8.773 1.00 0.00 C ATOM 587 CG TRP A 59 4.555 6.226 -9.688 1.00 0.00 C ATOM 588 CD1 TRP A 59 4.955 6.147 -11.018 1.00 0.00 C ATOM 589 CD2 TRP A 59 3.766 5.095 -9.485 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.528 4.975 -11.660 1.00 0.00 N ATOM 591 CE2 TRP A 59 3.778 4.345 -10.694 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.067 4.588 -8.354 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.129 3.097 -10.761 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.355 3.405 -8.488 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.386 2.664 -9.669 1.00 0.00 C ATOM 0 H TRP A 59 5.320 5.762 -6.388 1.00 0.00 H new ATOM 0 HA TRP A 59 7.199 6.808 -8.341 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.283 7.730 -8.181 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.457 8.154 -9.411 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.537 6.913 -11.508 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.726 4.665 -12.612 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.090 5.113 -7.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.207 2.485 -11.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.763 3.049 -7.658 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.826 1.743 -9.736 1.00 0.00 H new ATOM 606 N LEU A 60 7.194 9.208 -7.287 1.00 0.00 N ATOM 607 CA LEU A 60 7.209 10.526 -6.592 1.00 0.00 C ATOM 608 C LEU A 60 5.948 11.329 -7.080 1.00 0.00 C ATOM 609 O LEU A 60 5.290 11.009 -8.081 1.00 0.00 O ATOM 610 CB LEU A 60 8.517 11.313 -6.901 1.00 0.00 C ATOM 611 CG LEU A 60 8.993 12.398 -5.904 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.194 11.884 -4.468 1.00 0.00 C ATOM 613 CD2 LEU A 60 10.314 13.016 -6.393 1.00 0.00 C ATOM 0 H LEU A 60 7.774 9.164 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 60 7.178 10.380 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.322 10.586 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.392 11.791 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 60 8.194 13.139 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.528 12.704 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.252 11.489 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.945 11.094 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.643 13.778 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.074 12.238 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.163 13.470 -7.372 1.00 0.00 H new ATOM 625 N LEU A 61 5.657 12.438 -6.407 1.00 0.00 N ATOM 626 CA LEU A 61 4.516 13.328 -6.775 1.00 0.00 C ATOM 627 C LEU A 61 4.526 13.960 -8.201 1.00 0.00 C ATOM 628 O LEU A 61 3.457 14.229 -8.754 1.00 0.00 O ATOM 629 CB LEU A 61 4.187 14.334 -5.640 1.00 0.00 C ATOM 630 CG LEU A 61 4.995 15.644 -5.390 1.00 0.00 C ATOM 631 CD1 LEU A 61 6.513 15.446 -5.289 1.00 0.00 C ATOM 632 CD2 LEU A 61 4.675 16.769 -6.388 1.00 0.00 C ATOM 0 H LEU A 61 6.187 12.759 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 61 3.676 12.640 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.150 14.637 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.223 13.769 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 61 4.647 15.958 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.995 16.408 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.738 14.773 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.887 15.016 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.275 17.647 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.906 16.435 -7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.617 17.024 -6.322 1.00 0.00 H new ATOM 644 N ASP A 62 5.710 14.175 -8.802 1.00 0.00 N ATOM 645 CA ASP A 62 5.797 14.618 -10.228 1.00 0.00 C ATOM 646 C ASP A 62 5.432 13.495 -11.298 1.00 0.00 C ATOM 647 O ASP A 62 5.465 13.775 -12.498 1.00 0.00 O ATOM 648 CB ASP A 62 7.241 15.176 -10.380 1.00 0.00 C ATOM 649 CG ASP A 62 7.543 15.906 -11.684 1.00 0.00 C ATOM 650 OD1 ASP A 62 8.400 15.548 -12.483 1.00 0.00 O ATOM 651 OD2 ASP A 62 6.768 17.009 -11.854 1.00 0.00 O ATOM 0 H ASP A 62 6.612 14.055 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 62 5.042 15.374 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.434 15.858 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.942 14.347 -10.280 1.00 0.00 H new ATOM 657 N GLY A 63 5.054 12.257 -10.897 1.00 0.00 N ATOM 658 CA GLY A 63 4.798 11.124 -11.851 1.00 0.00 C ATOM 659 C GLY A 63 6.092 10.454 -12.366 1.00 0.00 C ATOM 660 O GLY A 63 6.221 10.114 -13.541 1.00 0.00 O ATOM 0 H GLY A 63 4.916 12.006 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.181 10.374 -11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.227 11.496 -12.701 1.00 0.00 H new ATOM 664 N THR A 64 7.028 10.236 -11.438 1.00 0.00 N ATOM 665 CA THR A 64 8.370 9.690 -11.729 1.00 0.00 C ATOM 666 C THR A 64 8.489 8.303 -11.044 1.00 0.00 C ATOM 667 O THR A 64 8.460 8.214 -9.811 1.00 0.00 O ATOM 668 CB THR A 64 9.430 10.704 -11.196 1.00 0.00 C ATOM 669 OG1 THR A 64 9.194 12.037 -11.648 1.00 0.00 O ATOM 670 CG2 THR A 64 10.845 10.352 -11.650 1.00 0.00 C ATOM 0 H THR A 64 6.880 10.434 -10.448 1.00 0.00 H new ATOM 0 HA THR A 64 8.536 9.553 -12.798 1.00 0.00 H new ATOM 0 HB THR A 64 9.337 10.643 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.883 12.632 -11.286 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.547 11.086 -11.254 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.110 9.361 -11.281 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.890 10.357 -12.739 1.00 0.00 H new ATOM 678 N LYS A 65 8.645 7.229 -11.829 1.00 0.00 N ATOM 679 CA LYS A 65 8.754 5.854 -11.274 1.00 0.00 C ATOM 680 C LYS A 65 10.183 5.588 -10.640 1.00 0.00 C ATOM 681 O LYS A 65 11.087 5.108 -11.333 1.00 0.00 O ATOM 682 CB LYS A 65 8.428 4.830 -12.392 1.00 0.00 C ATOM 683 CG LYS A 65 8.309 3.367 -11.878 1.00 0.00 C ATOM 684 CD LYS A 65 8.541 2.361 -13.025 1.00 0.00 C ATOM 685 CE LYS A 65 8.558 0.909 -12.540 1.00 0.00 C ATOM 686 NZ LYS A 65 8.828 0.002 -13.673 1.00 0.00 N ATOM 0 H LYS A 65 8.699 7.275 -12.847 1.00 0.00 H new ATOM 0 HA LYS A 65 8.034 5.741 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.492 5.115 -12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.206 4.877 -13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.037 3.195 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.322 3.209 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.757 2.481 -13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.487 2.587 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.321 0.782 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.601 0.658 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.838 -0.982 -13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.085 0.114 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.752 0.234 -14.091 1.00 0.00 H new ATOM 699 N PHE A 66 10.431 5.905 -9.354 1.00 0.00 N ATOM 700 CA PHE A 66 11.709 5.585 -8.673 1.00 0.00 C ATOM 701 C PHE A 66 11.923 4.082 -8.324 1.00 0.00 C ATOM 702 O PHE A 66 13.080 3.663 -8.225 1.00 0.00 O ATOM 703 CB PHE A 66 11.876 6.452 -7.379 1.00 0.00 C ATOM 704 CG PHE A 66 10.991 6.193 -6.122 1.00 0.00 C ATOM 705 CD1 PHE A 66 9.607 6.382 -6.172 1.00 0.00 C ATOM 706 CD2 PHE A 66 11.568 5.789 -4.907 1.00 0.00 C ATOM 707 CE1 PHE A 66 8.833 6.282 -5.021 1.00 0.00 C ATOM 708 CE2 PHE A 66 10.789 5.700 -3.750 1.00 0.00 C ATOM 709 CZ PHE A 66 9.424 5.988 -3.807 1.00 0.00 C ATOM 0 H PHE A 66 9.758 6.387 -8.758 1.00 0.00 H new ATOM 0 HA PHE A 66 12.477 5.828 -9.407 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.915 6.358 -7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.723 7.492 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.133 6.608 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.619 5.546 -4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.765 6.435 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.242 5.409 -2.814 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.831 5.981 -2.904 1.00 0.00 H new ATOM 719 N ASP A 67 10.857 3.279 -8.096 1.00 0.00 N ATOM 720 CA ASP A 67 11.032 1.890 -7.612 1.00 0.00 C ATOM 721 C ASP A 67 9.859 0.916 -7.934 1.00 0.00 C ATOM 722 O ASP A 67 8.692 1.285 -8.055 1.00 0.00 O ATOM 723 CB ASP A 67 11.393 1.977 -6.096 1.00 0.00 C ATOM 724 CG ASP A 67 10.515 2.641 -5.040 1.00 0.00 C ATOM 725 OD1 ASP A 67 10.791 2.597 -3.846 1.00 0.00 O ATOM 726 OD2 ASP A 67 9.377 3.196 -5.526 1.00 0.00 O ATOM 0 H ASP A 67 9.887 3.561 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 67 11.844 1.422 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.545 0.951 -5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.360 2.476 -6.043 1.00 0.00 H new ATOM 732 N SER A 68 10.214 -0.356 -8.124 1.00 0.00 N ATOM 733 CA SER A 68 9.251 -1.460 -8.383 1.00 0.00 C ATOM 734 C SER A 68 9.987 -2.776 -8.038 1.00 0.00 C ATOM 735 O SER A 68 10.958 -3.146 -8.709 1.00 0.00 O ATOM 736 CB SER A 68 8.702 -1.465 -9.828 1.00 0.00 C ATOM 737 OG SER A 68 7.626 -2.399 -9.964 1.00 0.00 O ATOM 0 H SER A 68 11.186 -0.666 -8.105 1.00 0.00 H new ATOM 0 HA SER A 68 8.364 -1.331 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.357 -0.466 -10.093 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.501 -1.721 -10.524 1.00 0.00 H new ATOM 0 HG SER A 68 7.294 -2.383 -10.886 1.00 0.00 H new ATOM 743 N SER A 69 9.549 -3.489 -6.996 1.00 0.00 N ATOM 744 CA SER A 69 10.241 -4.725 -6.550 1.00 0.00 C ATOM 745 C SER A 69 10.289 -5.928 -7.550 1.00 0.00 C ATOM 746 O SER A 69 11.364 -6.524 -7.649 1.00 0.00 O ATOM 747 CB SER A 69 9.781 -5.057 -5.120 1.00 0.00 C ATOM 748 OG SER A 69 8.377 -5.288 -5.016 1.00 0.00 O ATOM 0 H SER A 69 8.728 -3.244 -6.443 1.00 0.00 H new ATOM 0 HA SER A 69 11.308 -4.504 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.314 -5.941 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.057 -4.236 -4.458 1.00 0.00 H new ATOM 0 HG SER A 69 8.218 -6.211 -4.729 1.00 0.00 H new ATOM 754 N LEU A 70 9.236 -6.252 -8.350 1.00 0.00 N ATOM 755 CA LEU A 70 9.304 -7.397 -9.327 1.00 0.00 C ATOM 756 C LEU A 70 10.524 -7.374 -10.326 1.00 0.00 C ATOM 757 O LEU A 70 11.152 -8.395 -10.607 1.00 0.00 O ATOM 758 CB LEU A 70 8.007 -7.722 -10.103 1.00 0.00 C ATOM 759 CG LEU A 70 6.868 -8.335 -9.257 1.00 0.00 C ATOM 760 CD1 LEU A 70 5.534 -8.293 -9.988 1.00 0.00 C ATOM 761 CD2 LEU A 70 7.018 -9.635 -8.473 1.00 0.00 C ATOM 0 H LEU A 70 8.345 -5.755 -8.346 1.00 0.00 H new ATOM 0 HA LEU A 70 9.464 -8.213 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.641 -6.806 -10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.250 -8.412 -10.911 1.00 0.00 H new ATOM 0 HG LEU A 70 6.935 -7.639 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.760 -8.733 -9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.274 -7.258 -10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.611 -8.857 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.083 -9.860 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.260 -10.447 -9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.818 -9.528 -7.741 1.00 0.00 H new ATOM 773 N ASP A 71 10.821 -6.177 -10.858 1.00 0.00 N ATOM 774 CA ASP A 71 12.019 -5.892 -11.709 1.00 0.00 C ATOM 775 C ASP A 71 13.413 -6.373 -11.147 1.00 0.00 C ATOM 776 O ASP A 71 14.273 -6.796 -11.920 1.00 0.00 O ATOM 777 CB ASP A 71 12.038 -4.350 -11.913 1.00 0.00 C ATOM 778 CG ASP A 71 11.027 -3.693 -12.863 1.00 0.00 C ATOM 779 OD1 ASP A 71 11.183 -2.569 -13.325 1.00 0.00 O ATOM 780 OD2 ASP A 71 9.934 -4.472 -13.107 1.00 0.00 O ATOM 0 H ASP A 71 10.233 -5.356 -10.714 1.00 0.00 H new ATOM 0 HA ASP A 71 11.909 -6.467 -12.628 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.909 -3.891 -10.933 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.035 -4.081 -12.262 1.00 0.00 H new ATOM 786 N ARG A 72 13.630 -6.291 -9.822 1.00 0.00 N ATOM 787 CA ARG A 72 14.857 -6.765 -9.135 1.00 0.00 C ATOM 788 C ARG A 72 14.834 -8.302 -8.748 1.00 0.00 C ATOM 789 O ARG A 72 15.256 -8.716 -7.666 1.00 0.00 O ATOM 790 CB ARG A 72 15.094 -5.775 -7.952 1.00 0.00 C ATOM 791 CG ARG A 72 16.450 -5.854 -7.206 1.00 0.00 C ATOM 792 CD ARG A 72 17.682 -5.538 -8.075 1.00 0.00 C ATOM 793 NE ARG A 72 18.921 -5.550 -7.252 1.00 0.00 N ATOM 794 CZ ARG A 72 19.649 -6.620 -6.949 1.00 0.00 C ATOM 795 NH1 ARG A 72 19.357 -7.834 -7.309 1.00 0.00 N ATOM 796 NH2 ARG A 72 20.708 -6.432 -6.245 1.00 0.00 N ATOM 0 H ARG A 72 12.947 -5.886 -9.181 1.00 0.00 H new ATOM 0 HA ARG A 72 15.715 -6.745 -9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.981 -4.761 -8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.300 -5.930 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.428 -5.160 -6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.563 -6.855 -6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.765 -6.271 -8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.561 -4.562 -8.546 1.00 0.00 H new ATOM 0 HE ARG A 72 19.242 -4.654 -6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.519 -8.014 -7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.965 -8.607 -7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.959 -5.491 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 72 21.297 -7.224 -5.989 1.00 0.00 H new ATOM 809 N LYS A 73 14.346 -9.150 -9.672 1.00 0.00 N ATOM 810 CA LYS A 73 14.266 -10.634 -9.566 1.00 0.00 C ATOM 811 C LYS A 73 13.041 -11.244 -8.803 1.00 0.00 C ATOM 812 O LYS A 73 12.543 -12.299 -9.208 1.00 0.00 O ATOM 813 CB LYS A 73 15.629 -11.295 -9.185 1.00 0.00 C ATOM 814 CG LYS A 73 15.791 -12.792 -9.550 1.00 0.00 C ATOM 815 CD LYS A 73 17.108 -13.424 -9.052 1.00 0.00 C ATOM 816 CE LYS A 73 18.363 -12.937 -9.796 1.00 0.00 C ATOM 817 NZ LYS A 73 19.552 -13.638 -9.276 1.00 0.00 N ATOM 0 H LYS A 73 13.976 -8.811 -10.560 1.00 0.00 H new ATOM 0 HA LYS A 73 14.041 -10.920 -10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.428 -10.736 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.773 -11.187 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.953 -13.349 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.736 -12.899 -10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.222 -13.208 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.038 -14.507 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.258 -13.122 -10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.479 -11.861 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.399 -13.307 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.655 -13.440 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.442 -14.662 -9.420 1.00 0.00 H new ATOM 830 N ASP A 74 12.555 -10.620 -7.720 1.00 0.00 N ATOM 831 CA ASP A 74 11.447 -11.184 -6.895 1.00 0.00 C ATOM 832 C ASP A 74 10.459 -10.131 -6.282 1.00 0.00 C ATOM 833 O ASP A 74 10.491 -8.930 -6.535 1.00 0.00 O ATOM 834 CB ASP A 74 12.125 -12.076 -5.801 1.00 0.00 C ATOM 835 CG ASP A 74 11.450 -13.425 -5.577 1.00 0.00 C ATOM 836 OD1 ASP A 74 10.300 -13.550 -5.169 1.00 0.00 O ATOM 837 OD2 ASP A 74 12.260 -14.474 -5.880 1.00 0.00 O ATOM 0 H ASP A 74 12.905 -9.722 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 74 10.788 -11.763 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.164 -12.246 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.135 -11.528 -4.859 1.00 0.00 H new ATOM 843 N LYS A 75 9.535 -10.642 -5.463 1.00 0.00 N ATOM 844 CA LYS A 75 8.521 -9.859 -4.727 1.00 0.00 C ATOM 845 C LYS A 75 9.127 -9.043 -3.522 1.00 0.00 C ATOM 846 O LYS A 75 10.333 -9.101 -3.251 1.00 0.00 O ATOM 847 CB LYS A 75 7.444 -10.872 -4.220 1.00 0.00 C ATOM 848 CG LYS A 75 6.777 -11.848 -5.228 1.00 0.00 C ATOM 849 CD LYS A 75 6.000 -12.983 -4.534 1.00 0.00 C ATOM 850 CE LYS A 75 5.147 -13.778 -5.534 1.00 0.00 C ATOM 851 NZ LYS A 75 4.481 -14.902 -4.849 1.00 0.00 N ATOM 0 H LYS A 75 9.464 -11.644 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 75 8.090 -9.113 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.905 -11.475 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.648 -10.294 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.098 -11.290 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.544 -12.279 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.701 -13.655 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.358 -12.564 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.401 -13.125 -5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.775 -14.154 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.906 -15.434 -5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.199 -15.531 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.868 -14.534 -4.094 1.00 0.00 H new ATOM 864 N PHE A 76 8.302 -8.259 -2.800 1.00 0.00 N ATOM 865 CA PHE A 76 8.760 -7.565 -1.569 1.00 0.00 C ATOM 866 C PHE A 76 8.279 -8.390 -0.306 1.00 0.00 C ATOM 867 O PHE A 76 7.416 -9.274 -0.376 1.00 0.00 O ATOM 868 CB PHE A 76 8.394 -6.037 -1.654 1.00 0.00 C ATOM 869 CG PHE A 76 9.299 -5.210 -0.714 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.629 -4.977 -1.094 1.00 0.00 C ATOM 871 CD2 PHE A 76 8.892 -4.856 0.575 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.530 -4.406 -0.199 1.00 0.00 C ATOM 873 CE2 PHE A 76 9.807 -4.323 1.483 1.00 0.00 C ATOM 874 CZ PHE A 76 11.119 -4.086 1.091 1.00 0.00 C ATOM 0 H PHE A 76 7.325 -8.088 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 76 9.844 -7.543 -1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.508 -5.686 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.348 -5.892 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.957 -5.242 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.863 -4.996 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.547 -4.212 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.496 -4.094 2.492 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.820 -3.653 1.789 1.00 0.00 H new ATOM 884 N SER A 77 8.837 -8.122 0.881 1.00 0.00 N ATOM 885 CA SER A 77 8.468 -8.858 2.129 1.00 0.00 C ATOM 886 C SER A 77 9.025 -8.143 3.383 1.00 0.00 C ATOM 887 O SER A 77 10.195 -7.747 3.426 1.00 0.00 O ATOM 888 CB SER A 77 8.926 -10.344 2.117 1.00 0.00 C ATOM 889 OG SER A 77 10.347 -10.472 2.019 1.00 0.00 O ATOM 0 H SER A 77 9.547 -7.403 1.019 1.00 0.00 H new ATOM 0 HA SER A 77 7.379 -8.857 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.581 -10.836 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.458 -10.860 1.278 1.00 0.00 H new ATOM 0 HG SER A 77 10.591 -11.421 2.017 1.00 0.00 H new ATOM 895 N PHE A 78 8.179 -7.987 4.406 1.00 0.00 N ATOM 896 CA PHE A 78 8.580 -7.339 5.681 1.00 0.00 C ATOM 897 C PHE A 78 7.848 -7.967 6.923 1.00 0.00 C ATOM 898 O PHE A 78 7.080 -8.930 6.817 1.00 0.00 O ATOM 899 CB PHE A 78 8.392 -5.809 5.553 1.00 0.00 C ATOM 900 CG PHE A 78 6.974 -5.210 5.636 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.175 -5.020 4.505 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.622 -4.591 6.834 1.00 0.00 C ATOM 903 CE1 PHE A 78 5.040 -4.204 4.581 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.513 -3.765 6.902 1.00 0.00 C ATOM 905 CZ PHE A 78 4.719 -3.571 5.787 1.00 0.00 C ATOM 0 H PHE A 78 7.208 -8.298 4.386 1.00 0.00 H new ATOM 0 HA PHE A 78 9.637 -7.528 5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.991 -5.340 6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.819 -5.506 4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.433 -5.502 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.220 -4.757 7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.414 -4.064 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.267 -3.270 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.851 -2.931 5.847 1.00 0.00 H new ATOM 915 N ASP A 79 8.086 -7.398 8.114 1.00 0.00 N ATOM 916 CA ASP A 79 7.401 -7.791 9.366 1.00 0.00 C ATOM 917 C ASP A 79 6.672 -6.483 9.811 1.00 0.00 C ATOM 918 O ASP A 79 7.333 -5.471 10.075 1.00 0.00 O ATOM 919 CB ASP A 79 8.519 -8.340 10.281 1.00 0.00 C ATOM 920 CG ASP A 79 8.065 -9.144 11.494 1.00 0.00 C ATOM 921 OD1 ASP A 79 8.581 -9.042 12.598 1.00 0.00 O ATOM 922 OD2 ASP A 79 7.043 -9.996 11.220 1.00 0.00 O ATOM 0 H ASP A 79 8.763 -6.646 8.242 1.00 0.00 H new ATOM 0 HA ASP A 79 6.645 -8.576 9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.175 -8.969 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.117 -7.499 10.632 1.00 0.00 H new ATOM 928 N LEU A 80 5.324 -6.477 9.814 1.00 0.00 N ATOM 929 CA LEU A 80 4.490 -5.258 10.061 1.00 0.00 C ATOM 930 C LEU A 80 4.983 -4.284 11.198 1.00 0.00 C ATOM 931 O LEU A 80 5.048 -4.652 12.371 1.00 0.00 O ATOM 932 CB LEU A 80 3.002 -5.679 10.223 1.00 0.00 C ATOM 933 CG LEU A 80 1.963 -4.542 10.015 1.00 0.00 C ATOM 934 CD1 LEU A 80 1.992 -3.960 8.593 1.00 0.00 C ATOM 935 CD2 LEU A 80 0.547 -5.048 10.283 1.00 0.00 C ATOM 0 H LEU A 80 4.769 -7.316 9.645 1.00 0.00 H new ATOM 0 HA LEU A 80 4.607 -4.633 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.788 -6.478 9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.866 -6.095 11.221 1.00 0.00 H new ATOM 0 HG LEU A 80 2.238 -3.758 10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.245 -3.171 8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.980 -3.548 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.771 -4.748 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.164 -4.236 10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.317 -5.864 9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.477 -5.405 11.310 1.00 0.00 H new ATOM 947 N GLY A 81 5.390 -3.061 10.814 1.00 0.00 N ATOM 948 CA GLY A 81 5.894 -2.021 11.767 1.00 0.00 C ATOM 949 C GLY A 81 7.179 -2.310 12.558 1.00 0.00 C ATOM 950 O GLY A 81 7.215 -1.986 13.746 1.00 0.00 O ATOM 0 H GLY A 81 5.384 -2.754 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.053 -1.103 11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.101 -1.819 12.487 1.00 0.00 H new ATOM 954 N LYS A 82 8.244 -2.828 11.921 1.00 0.00 N ATOM 955 CA LYS A 82 9.491 -3.188 12.675 1.00 0.00 C ATOM 956 C LYS A 82 10.754 -2.312 12.391 1.00 0.00 C ATOM 957 O LYS A 82 11.884 -2.740 12.639 1.00 0.00 O ATOM 958 CB LYS A 82 9.687 -4.688 12.318 1.00 0.00 C ATOM 959 CG LYS A 82 8.700 -5.616 13.074 1.00 0.00 C ATOM 960 CD LYS A 82 9.162 -5.995 14.496 1.00 0.00 C ATOM 961 CE LYS A 82 8.095 -6.789 15.261 1.00 0.00 C ATOM 962 NZ LYS A 82 8.593 -7.107 16.614 1.00 0.00 N ATOM 0 H LYS A 82 8.283 -3.008 10.918 1.00 0.00 H new ATOM 0 HA LYS A 82 9.370 -2.996 13.741 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.556 -4.822 11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.710 -4.983 12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.730 -5.123 13.137 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.557 -6.528 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.076 -6.585 14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.405 -5.089 15.051 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.174 -6.210 15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.856 -7.707 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.870 -7.645 17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.461 -7.675 16.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.800 -6.225 17.124 1.00 0.00 H new ATOM 975 N GLY A 83 10.574 -1.088 11.872 1.00 0.00 N ATOM 976 CA GLY A 83 11.738 -0.232 11.434 1.00 0.00 C ATOM 977 C GLY A 83 12.084 -0.423 9.929 1.00 0.00 C ATOM 978 O GLY A 83 12.359 0.520 9.194 1.00 0.00 O ATOM 0 H GLY A 83 9.660 -0.656 11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.504 0.816 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.612 -0.476 12.038 1.00 0.00 H new ATOM 982 N GLU A 84 12.045 -1.699 9.540 1.00 0.00 N ATOM 983 CA GLU A 84 12.149 -2.264 8.179 1.00 0.00 C ATOM 984 C GLU A 84 11.585 -1.475 6.943 1.00 0.00 C ATOM 985 O GLU A 84 12.171 -1.545 5.861 1.00 0.00 O ATOM 986 CB GLU A 84 11.364 -3.616 8.378 1.00 0.00 C ATOM 987 CG GLU A 84 12.217 -4.731 9.052 1.00 0.00 C ATOM 988 CD GLU A 84 11.552 -6.099 9.140 1.00 0.00 C ATOM 989 OE1 GLU A 84 10.919 -6.613 8.226 1.00 0.00 O ATOM 990 OE2 GLU A 84 11.764 -6.700 10.341 1.00 0.00 O ATOM 0 H GLU A 84 11.929 -2.440 10.231 1.00 0.00 H new ATOM 0 HA GLU A 84 13.198 -2.294 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.479 -3.428 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.015 -3.971 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.151 -4.835 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.477 -4.407 10.060 1.00 0.00 H new ATOM 998 N VAL A 85 10.446 -0.776 7.079 1.00 0.00 N ATOM 999 CA VAL A 85 9.741 -0.100 5.987 1.00 0.00 C ATOM 1000 C VAL A 85 9.562 1.408 6.333 1.00 0.00 C ATOM 1001 O VAL A 85 10.443 2.086 6.869 1.00 0.00 O ATOM 1002 CB VAL A 85 8.436 -0.971 5.761 1.00 0.00 C ATOM 1003 CG1 VAL A 85 8.743 -2.460 5.458 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.306 -0.920 6.827 1.00 0.00 C ATOM 0 H VAL A 85 9.980 -0.665 7.980 1.00 0.00 H new ATOM 0 HA VAL A 85 10.269 -0.051 5.035 1.00 0.00 H new ATOM 0 HB VAL A 85 8.032 -0.452 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.808 -3.002 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.347 -2.530 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.290 -2.896 6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.487 -1.571 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.697 -1.255 7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.940 0.103 6.921 1.00 0.00 H new ATOM 1014 N ILE A 86 8.407 1.933 5.947 1.00 0.00 N ATOM 1015 CA ILE A 86 7.942 3.272 6.348 1.00 0.00 C ATOM 1016 C ILE A 86 6.685 3.103 7.245 1.00 0.00 C ATOM 1017 O ILE A 86 5.916 2.136 7.192 1.00 0.00 O ATOM 1018 CB ILE A 86 7.690 4.274 5.169 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.651 3.783 4.124 1.00 0.00 C ATOM 1020 CG2 ILE A 86 9.035 4.743 4.596 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.453 4.630 2.862 1.00 0.00 C ATOM 0 H ILE A 86 7.752 1.442 5.339 1.00 0.00 H new ATOM 0 HA ILE A 86 8.754 3.742 6.903 1.00 0.00 H new ATOM 0 HB ILE A 86 7.190 5.157 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.938 2.779 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.687 3.697 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.858 5.440 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.610 5.240 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.593 3.883 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.699 4.165 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.124 5.630 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.395 4.698 2.318 1.00 0.00 H new ATOM 1033 N LYS A 87 6.454 4.135 8.043 1.00 0.00 N ATOM 1034 CA LYS A 87 5.243 4.219 8.900 1.00 0.00 C ATOM 1035 C LYS A 87 3.908 4.314 8.082 1.00 0.00 C ATOM 1036 O LYS A 87 2.898 3.724 8.467 1.00 0.00 O ATOM 1037 CB LYS A 87 5.486 5.351 9.917 1.00 0.00 C ATOM 1038 CG LYS A 87 4.503 5.398 11.106 1.00 0.00 C ATOM 1039 CD LYS A 87 4.137 6.849 11.440 1.00 0.00 C ATOM 1040 CE LYS A 87 3.365 6.970 12.761 1.00 0.00 C ATOM 1041 NZ LYS A 87 3.137 8.393 13.065 1.00 0.00 N ATOM 0 H LYS A 87 7.080 4.936 8.127 1.00 0.00 H new ATOM 0 HA LYS A 87 5.090 3.291 9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.498 5.253 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.439 6.305 9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.601 4.836 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.952 4.920 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.047 7.446 11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.535 7.264 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.413 6.445 12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.927 6.500 13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.629 8.478 13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.051 8.884 13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.570 8.823 12.307 1.00 0.00 H new ATOM 1054 N ALA A 88 3.938 4.984 6.914 1.00 0.00 N ATOM 1055 CA ALA A 88 2.861 4.933 5.908 1.00 0.00 C ATOM 1056 C ALA A 88 2.553 3.477 5.449 1.00 0.00 C ATOM 1057 O ALA A 88 1.378 3.188 5.202 1.00 0.00 O ATOM 1058 CB ALA A 88 3.297 5.801 4.713 1.00 0.00 C ATOM 0 H ALA A 88 4.718 5.581 6.640 1.00 0.00 H new ATOM 0 HA ALA A 88 1.939 5.314 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.520 5.785 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.456 6.826 5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.224 5.407 4.296 1.00 0.00 H new ATOM 1064 N TRP A 89 3.558 2.563 5.347 1.00 0.00 N ATOM 1065 CA TRP A 89 3.243 1.150 5.072 1.00 0.00 C ATOM 1066 C TRP A 89 2.632 0.441 6.295 1.00 0.00 C ATOM 1067 O TRP A 89 1.670 -0.291 6.113 1.00 0.00 O ATOM 1068 CB TRP A 89 4.443 0.378 4.534 1.00 0.00 C ATOM 1069 CG TRP A 89 4.809 0.642 3.085 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.436 1.691 2.238 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.594 -0.173 2.347 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.916 1.492 0.928 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.650 0.321 1.027 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.363 -1.272 2.752 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.465 -0.329 0.073 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.179 -1.885 1.814 1.00 0.00 C ATOM 1077 CH2 TRP A 89 7.235 -1.423 0.494 1.00 0.00 C ATOM 0 H TRP A 89 4.551 2.775 5.448 1.00 0.00 H new ATOM 0 HA TRP A 89 2.487 1.160 4.286 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.308 0.611 5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.246 -0.688 4.650 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.854 2.546 2.549 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.760 2.072 0.103 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.321 -1.632 3.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.494 0.008 -0.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.781 -2.733 2.106 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.883 -1.918 -0.214 1.00 0.00 H new ATOM 1088 N ASP A 90 3.135 0.619 7.525 1.00 0.00 N ATOM 1089 CA ASP A 90 2.441 0.038 8.708 1.00 0.00 C ATOM 1090 C ASP A 90 0.939 0.464 8.869 1.00 0.00 C ATOM 1091 O ASP A 90 0.116 -0.392 9.194 1.00 0.00 O ATOM 1092 CB ASP A 90 3.335 0.318 9.942 1.00 0.00 C ATOM 1093 CG ASP A 90 2.811 -0.242 11.258 1.00 0.00 C ATOM 1094 OD1 ASP A 90 2.614 -1.430 11.460 1.00 0.00 O ATOM 1095 OD2 ASP A 90 2.581 0.726 12.184 1.00 0.00 O ATOM 0 H ASP A 90 3.987 1.139 7.735 1.00 0.00 H new ATOM 0 HA ASP A 90 2.331 -1.038 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.325 -0.098 9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.457 1.396 10.046 1.00 0.00 H new ATOM 1101 N ILE A 91 0.569 1.724 8.583 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.846 2.166 8.627 1.00 0.00 C ATOM 1103 C ILE A 91 -1.685 1.530 7.454 1.00 0.00 C ATOM 1104 O ILE A 91 -2.622 0.753 7.696 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.939 3.726 8.868 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -0.690 4.101 10.366 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -2.333 4.285 8.494 1.00 0.00 C ATOM 1108 CD1 ILE A 91 0.777 4.160 10.816 1.00 0.00 C ATOM 0 H ILE A 91 1.226 2.458 8.318 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.357 1.765 9.502 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.168 4.161 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.146 5.073 10.556 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.211 3.376 10.992 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.354 5.360 8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.533 4.090 7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.095 3.800 9.103 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.823 4.429 11.871 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.242 3.185 10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.308 4.908 10.227 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.332 1.825 6.192 1.00 0.00 N ATOM 1121 CA ALA A 92 -2.051 1.275 5.026 1.00 0.00 C ATOM 1122 C ALA A 92 -1.950 -0.274 4.780 1.00 0.00 C ATOM 1123 O ALA A 92 -2.902 -0.855 4.249 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.621 2.139 3.844 1.00 0.00 C ATOM 0 H ALA A 92 -0.555 2.440 5.951 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.124 1.335 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.116 1.789 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.898 3.176 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.541 2.070 3.717 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.839 -0.946 5.150 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.700 -2.431 5.050 1.00 0.00 C ATOM 1132 C VAL A 93 -1.465 -3.140 6.227 1.00 0.00 C ATOM 1133 O VAL A 93 -2.038 -4.204 5.988 1.00 0.00 O ATOM 1134 CB VAL A 93 0.778 -2.870 4.786 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.909 -4.344 4.407 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.444 -2.183 3.573 1.00 0.00 C ATOM 0 H VAL A 93 -0.011 -0.484 5.526 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.206 -2.794 4.155 1.00 0.00 H new ATOM 0 HB VAL A 93 1.247 -2.607 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.959 -4.584 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.521 -4.963 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.341 -4.538 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.466 -2.547 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.879 -2.413 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.457 -1.104 3.728 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.535 -2.577 7.462 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.476 -3.047 8.520 1.00 0.00 C ATOM 1148 C ALA A 94 -3.974 -3.074 8.033 1.00 0.00 C ATOM 1149 O ALA A 94 -4.711 -4.006 8.351 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.298 -2.181 9.779 1.00 0.00 C ATOM 0 H ALA A 94 -0.950 -1.794 7.752 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.230 -4.081 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.984 -2.521 10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.272 -2.268 10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.511 -1.140 9.537 1.00 0.00 H new ATOM 1156 N THR A 95 -4.395 -2.074 7.231 1.00 0.00 N ATOM 1157 CA THR A 95 -5.736 -2.072 6.567 1.00 0.00 C ATOM 1158 C THR A 95 -5.847 -2.939 5.234 1.00 0.00 C ATOM 1159 O THR A 95 -6.894 -2.881 4.579 1.00 0.00 O ATOM 1160 CB THR A 95 -6.198 -0.592 6.332 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.289 0.160 5.528 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.441 0.233 7.605 1.00 0.00 C ATOM 0 H THR A 95 -3.831 -1.251 7.021 1.00 0.00 H new ATOM 0 HA THR A 95 -6.412 -2.578 7.256 1.00 0.00 H new ATOM 0 HB THR A 95 -7.149 -0.740 5.821 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.565 -0.424 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.756 1.240 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.219 -0.241 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.520 0.287 8.185 1.00 0.00 H new ATOM 1170 N MET A 96 -4.848 -3.765 4.825 1.00 0.00 N ATOM 1171 CA MET A 96 -4.891 -4.561 3.560 1.00 0.00 C ATOM 1172 C MET A 96 -5.281 -6.082 3.746 1.00 0.00 C ATOM 1173 O MET A 96 -4.654 -6.810 4.519 1.00 0.00 O ATOM 1174 CB MET A 96 -3.470 -4.374 2.965 1.00 0.00 C ATOM 1175 CG MET A 96 -3.232 -4.896 1.543 1.00 0.00 C ATOM 1176 SD MET A 96 -4.113 -3.912 0.328 1.00 0.00 S ATOM 1177 CE MET A 96 -3.206 -4.472 -1.118 1.00 0.00 C ATOM 0 H MET A 96 -3.990 -3.901 5.359 1.00 0.00 H new ATOM 0 HA MET A 96 -5.684 -4.210 2.900 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.236 -3.310 2.978 1.00 0.00 H new ATOM 0 HB3 MET A 96 -2.758 -4.865 3.629 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.165 -4.880 1.322 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.556 -5.935 1.476 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.835 -4.373 -2.003 1.00 0.00 H new ATOM 0 HE2 MET A 96 -2.308 -3.866 -1.241 1.00 0.00 H new ATOM 0 HE3 MET A 96 -2.924 -5.517 -0.988 1.00 0.00 H new ATOM 1187 N LYS A 97 -6.286 -6.578 2.995 1.00 0.00 N ATOM 1188 CA LYS A 97 -6.754 -8.005 3.063 1.00 0.00 C ATOM 1189 C LYS A 97 -5.911 -9.041 2.229 1.00 0.00 C ATOM 1190 O LYS A 97 -5.127 -8.665 1.347 1.00 0.00 O ATOM 1191 CB LYS A 97 -8.244 -8.042 2.614 1.00 0.00 C ATOM 1192 CG LYS A 97 -9.277 -7.353 3.533 1.00 0.00 C ATOM 1193 CD LYS A 97 -10.693 -7.421 2.927 1.00 0.00 C ATOM 1194 CE LYS A 97 -11.775 -6.982 3.921 1.00 0.00 C ATOM 1195 NZ LYS A 97 -13.087 -6.978 3.247 1.00 0.00 N ATOM 0 H LYS A 97 -6.804 -6.014 2.322 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.622 -8.325 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.311 -7.583 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.536 -9.086 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.274 -7.832 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.994 -6.312 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.737 -6.787 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.897 -8.440 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.795 -7.658 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.549 -5.988 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.822 -6.680 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.063 -6.316 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.302 -7.935 2.900 1.00 0.00 H new ATOM 1208 N VAL A 98 -6.101 -10.368 2.461 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.368 -11.442 1.709 1.00 0.00 C ATOM 1210 C VAL A 98 -5.715 -11.350 0.149 1.00 0.00 C ATOM 1211 O VAL A 98 -6.911 -11.382 -0.181 1.00 0.00 O ATOM 1212 CB VAL A 98 -5.780 -12.881 2.180 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.157 -14.040 1.365 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.423 -13.234 3.639 1.00 0.00 C ATOM 0 H VAL A 98 -6.752 -10.726 3.159 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.307 -11.283 1.900 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.858 -12.808 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.501 -14.993 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.460 -13.955 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.070 -13.989 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.752 -14.250 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.344 -13.165 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.920 -12.537 4.314 1.00 0.00 H new ATOM 1224 N GLY A 99 -4.768 -11.302 -0.821 1.00 0.00 N ATOM 1225 CA GLY A 99 -5.160 -11.190 -2.282 1.00 0.00 C ATOM 1226 C GLY A 99 -5.629 -9.800 -2.802 1.00 0.00 C ATOM 1227 O GLY A 99 -5.954 -9.688 -3.984 1.00 0.00 O ATOM 0 H GLY A 99 -3.763 -11.336 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.306 -11.502 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.960 -11.906 -2.470 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.681 -8.760 -1.954 1.00 0.00 N ATOM 1232 CA GLU A 100 -6.164 -7.407 -2.340 1.00 0.00 C ATOM 1233 C GLU A 100 -5.187 -6.564 -3.247 1.00 0.00 C ATOM 1234 O GLU A 100 -3.963 -6.741 -3.224 1.00 0.00 O ATOM 1235 CB GLU A 100 -6.488 -6.742 -0.968 1.00 0.00 C ATOM 1236 CG GLU A 100 -7.168 -5.352 -1.008 1.00 0.00 C ATOM 1237 CD GLU A 100 -8.042 -5.059 0.207 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -9.170 -5.518 0.346 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -7.427 -4.252 1.114 1.00 0.00 O ATOM 0 H GLU A 100 -5.391 -8.825 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.028 -7.467 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.132 -7.419 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.558 -6.649 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.399 -4.584 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.778 -5.282 -1.908 1.00 0.00 H new ATOM 1247 N LEU A 101 -5.749 -5.621 -4.033 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.986 -4.689 -4.896 1.00 0.00 C ATOM 1249 C LEU A 101 -5.466 -3.210 -4.739 1.00 0.00 C ATOM 1250 O LEU A 101 -6.645 -2.884 -4.927 1.00 0.00 O ATOM 1251 CB LEU A 101 -4.926 -5.155 -6.380 1.00 0.00 C ATOM 1252 CG LEU A 101 -3.514 -5.080 -7.010 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -3.494 -5.769 -8.381 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -2.928 -3.673 -7.166 1.00 0.00 C ATOM 0 H LEU A 101 -6.758 -5.482 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.956 -4.713 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.285 -6.182 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.608 -4.543 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.880 -5.596 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.492 -5.705 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.773 -6.816 -8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.203 -5.276 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.938 -3.739 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.579 -3.077 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.850 -3.201 -6.187 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.522 -2.322 -4.384 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.807 -0.867 -4.175 1.00 0.00 C ATOM 1268 C CYS A 102 -3.596 0.074 -4.455 1.00 0.00 C ATOM 1269 O CYS A 102 -2.473 -0.385 -4.690 1.00 0.00 O ATOM 1270 CB CYS A 102 -5.226 -0.690 -2.695 1.00 0.00 C ATOM 1271 SG CYS A 102 -4.022 -1.466 -1.563 1.00 0.00 S ATOM 0 H CYS A 102 -3.546 -2.575 -4.232 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.584 -0.584 -4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.312 0.372 -2.464 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.211 -1.131 -2.539 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.625 -2.357 -0.833 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.799 1.411 -4.397 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.721 2.386 -4.509 1.00 0.00 C ATOM 1279 C ARG A 103 -2.697 3.354 -3.292 1.00 0.00 C ATOM 1280 O ARG A 103 -3.610 4.129 -3.006 1.00 0.00 O ATOM 1281 CB ARG A 103 -2.639 3.114 -5.846 1.00 0.00 C ATOM 1282 CG ARG A 103 -3.904 3.697 -6.506 1.00 0.00 C ATOM 1283 CD ARG A 103 -3.644 4.296 -7.897 1.00 0.00 C ATOM 1284 NE ARG A 103 -4.944 4.613 -8.546 1.00 0.00 N ATOM 1285 CZ ARG A 103 -5.508 5.810 -8.655 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -4.996 6.913 -8.198 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -6.644 5.870 -9.254 1.00 0.00 N ATOM 0 H ARG A 103 -4.720 1.831 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.805 1.796 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.935 3.937 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.195 2.421 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.655 2.912 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.321 4.468 -5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.038 5.198 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.081 3.592 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.456 3.829 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.098 6.897 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.492 7.795 -8.322 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.073 5.020 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.117 6.767 -9.362 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.559 3.296 -2.622 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.217 4.129 -1.446 1.00 0.00 C ATOM 1302 C ILE A 104 -0.892 5.595 -1.881 1.00 0.00 C ATOM 1303 O ILE A 104 -0.162 5.844 -2.849 1.00 0.00 O ATOM 1304 CB ILE A 104 0.053 3.487 -0.722 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.192 2.038 -0.175 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.726 4.409 0.325 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.417 1.588 1.189 1.00 0.00 C ATOM 0 H ILE A 104 -0.812 2.651 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.067 4.158 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 104 0.781 3.384 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.271 1.899 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.171 1.344 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.579 3.895 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.066 5.324 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.007 4.658 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.134 0.555 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.503 1.665 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.039 2.229 1.985 1.00 0.00 H new ATOM 1319 N THR A 105 -1.388 6.551 -1.092 1.00 0.00 N ATOM 1320 CA THR A 105 -1.048 7.991 -1.262 1.00 0.00 C ATOM 1321 C THR A 105 -0.470 8.372 0.135 1.00 0.00 C ATOM 1322 O THR A 105 -1.193 8.340 1.144 1.00 0.00 O ATOM 1323 CB THR A 105 -2.281 8.793 -1.752 1.00 0.00 C ATOM 1324 OG1 THR A 105 -2.717 8.288 -3.009 1.00 0.00 O ATOM 1325 CG2 THR A 105 -1.980 10.281 -1.990 1.00 0.00 C ATOM 0 H THR A 105 -2.031 6.366 -0.322 1.00 0.00 H new ATOM 0 HA THR A 105 -0.318 8.220 -2.038 1.00 0.00 H new ATOM 0 HB THR A 105 -3.028 8.688 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.497 8.797 -3.313 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.884 10.785 -2.331 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.640 10.737 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.202 10.378 -2.748 1.00 0.00 H new ATOM 1333 N CYS A 106 0.852 8.627 0.183 1.00 0.00 N ATOM 1334 CA CYS A 106 1.588 8.901 1.445 1.00 0.00 C ATOM 1335 C CYS A 106 2.207 10.326 1.565 1.00 0.00 C ATOM 1336 O CYS A 106 2.674 10.944 0.602 1.00 0.00 O ATOM 1337 CB CYS A 106 2.650 7.790 1.661 1.00 0.00 C ATOM 1338 SG CYS A 106 3.612 7.316 0.181 1.00 0.00 S ATOM 0 H CYS A 106 1.444 8.650 -0.647 1.00 0.00 H new ATOM 0 HA CYS A 106 0.847 8.883 2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.345 8.122 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.148 6.902 2.045 1.00 0.00 H new ATOM 0 HG CYS A 106 3.963 6.068 0.273 1.00 0.00 H new ATOM 1344 N LYS A 107 2.216 10.810 2.813 1.00 0.00 N ATOM 1345 CA LYS A 107 2.778 12.132 3.186 1.00 0.00 C ATOM 1346 C LYS A 107 4.139 11.987 3.959 1.00 0.00 C ATOM 1347 O LYS A 107 4.185 11.180 4.896 1.00 0.00 O ATOM 1348 CB LYS A 107 1.734 12.933 4.016 1.00 0.00 C ATOM 1349 CG LYS A 107 0.646 13.680 3.196 1.00 0.00 C ATOM 1350 CD LYS A 107 1.128 14.716 2.153 1.00 0.00 C ATOM 1351 CE LYS A 107 2.042 15.826 2.699 1.00 0.00 C ATOM 1352 NZ LYS A 107 2.513 16.672 1.583 1.00 0.00 N ATOM 0 H LYS A 107 1.832 10.297 3.606 1.00 0.00 H new ATOM 0 HA LYS A 107 2.995 12.685 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.238 12.245 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.266 13.662 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.044 12.934 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.014 14.190 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.659 14.188 1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.254 15.180 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.501 16.432 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.893 15.387 3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.412 17.123 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.655 16.084 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.804 17.405 1.380 1.00 0.00 H new ATOM 1365 N PRO A 108 5.232 12.771 3.684 1.00 0.00 N ATOM 1366 CA PRO A 108 6.546 12.656 4.385 1.00 0.00 C ATOM 1367 C PRO A 108 6.666 12.476 5.931 1.00 0.00 C ATOM 1368 O PRO A 108 7.685 11.942 6.369 1.00 0.00 O ATOM 1369 CB PRO A 108 7.349 13.856 3.850 1.00 0.00 C ATOM 1370 CG PRO A 108 6.494 14.529 2.797 1.00 0.00 C ATOM 1371 CD PRO A 108 5.428 13.511 2.423 1.00 0.00 C ATOM 0 HA PRO A 108 6.924 11.661 4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.586 14.551 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.297 13.526 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.044 15.444 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.090 14.809 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.509 13.991 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.758 12.857 1.616 1.00 0.00 H new ATOM 1379 N GLU A 109 5.695 12.886 6.765 1.00 0.00 N ATOM 1380 CA GLU A 109 5.732 12.604 8.229 1.00 0.00 C ATOM 1381 C GLU A 109 5.700 11.076 8.594 1.00 0.00 C ATOM 1382 O GLU A 109 6.382 10.610 9.507 1.00 0.00 O ATOM 1383 CB GLU A 109 4.608 13.464 8.867 1.00 0.00 C ATOM 1384 CG GLU A 109 4.546 13.501 10.413 1.00 0.00 C ATOM 1385 CD GLU A 109 3.425 14.405 10.929 1.00 0.00 C ATOM 1386 OE1 GLU A 109 3.364 15.611 10.710 1.00 0.00 O ATOM 1387 OE2 GLU A 109 2.490 13.726 11.647 1.00 0.00 O ATOM 0 H GLU A 109 4.875 13.412 6.462 1.00 0.00 H new ATOM 0 HA GLU A 109 6.695 12.891 8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.718 14.487 8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.650 13.098 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.398 12.490 10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.501 13.851 10.804 1.00 0.00 H new ATOM 1395 N TYR A 110 4.897 10.325 7.844 1.00 0.00 N ATOM 1396 CA TYR A 110 4.845 8.859 7.853 1.00 0.00 C ATOM 1397 C TYR A 110 5.868 8.203 6.839 1.00 0.00 C ATOM 1398 O TYR A 110 5.960 6.973 6.815 1.00 0.00 O ATOM 1399 CB TYR A 110 3.374 8.534 7.459 1.00 0.00 C ATOM 1400 CG TYR A 110 2.264 8.603 8.537 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.205 9.622 9.497 1.00 0.00 C ATOM 1402 CD2 TYR A 110 1.273 7.612 8.546 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.224 9.612 10.483 1.00 0.00 C ATOM 1404 CE2 TYR A 110 0.282 7.614 9.524 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.273 8.601 10.508 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.697 8.610 11.474 1.00 0.00 O ATOM 0 H TYR A 110 4.236 10.735 7.185 1.00 0.00 H new ATOM 0 HA TYR A 110 5.129 8.453 8.824 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.093 9.215 6.656 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.362 7.527 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.929 10.423 9.471 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.278 6.842 7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.202 10.392 11.230 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.481 6.850 9.520 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.286 7.836 11.354 1.00 0.00 H new ATOM 1416 N ALA A 111 6.631 8.963 6.013 1.00 0.00 N ATOM 1417 CA ALA A 111 7.511 8.371 4.964 1.00 0.00 C ATOM 1418 C ALA A 111 8.983 8.927 4.870 1.00 0.00 C ATOM 1419 O ALA A 111 9.742 8.747 5.823 1.00 0.00 O ATOM 1420 CB ALA A 111 6.666 8.478 3.673 1.00 0.00 C ATOM 0 H ALA A 111 6.657 9.982 6.050 1.00 0.00 H new ATOM 0 HA ALA A 111 7.766 7.339 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.228 8.066 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.739 7.919 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.435 9.525 3.475 1.00 0.00 H new ATOM 1426 N TYR A 112 9.426 9.551 3.745 1.00 0.00 N ATOM 1427 CA TYR A 112 10.844 10.059 3.604 1.00 0.00 C ATOM 1428 C TYR A 112 11.042 11.574 4.035 1.00 0.00 C ATOM 1429 O TYR A 112 12.069 12.151 3.681 1.00 0.00 O ATOM 1430 CB TYR A 112 11.525 9.696 2.216 1.00 0.00 C ATOM 1431 CG TYR A 112 11.232 8.316 1.579 1.00 0.00 C ATOM 1432 CD1 TYR A 112 11.662 7.174 2.264 1.00 0.00 C ATOM 1433 CD2 TYR A 112 10.651 8.162 0.314 1.00 0.00 C ATOM 1434 CE1 TYR A 112 11.513 5.905 1.713 1.00 0.00 C ATOM 1435 CE2 TYR A 112 10.532 6.888 -0.245 1.00 0.00 C ATOM 1436 CZ TYR A 112 10.947 5.765 0.454 1.00 0.00 C ATOM 1437 OH TYR A 112 10.796 4.526 -0.105 1.00 0.00 O ATOM 0 H TYR A 112 8.841 9.719 2.926 1.00 0.00 H new ATOM 0 HA TYR A 112 11.404 9.490 4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 112 11.233 10.460 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.604 9.776 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.118 7.279 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 112 10.296 9.026 -0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 112 11.836 5.033 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.112 6.776 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 112 10.382 4.614 -0.989 1.00 0.00 H new ATOM 1447 N GLY A 113 10.136 12.255 4.790 1.00 0.00 N ATOM 1448 CA GLY A 113 10.366 13.659 5.266 1.00 0.00 C ATOM 1449 C GLY A 113 11.540 13.895 6.234 1.00 0.00 C ATOM 1450 O GLY A 113 12.484 14.604 5.889 1.00 0.00 O ATOM 0 H GLY A 113 9.242 11.861 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.519 14.291 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.454 14.004 5.753 1.00 0.00 H new ATOM 1454 N SER A 114 11.515 13.308 7.438 1.00 0.00 N ATOM 1455 CA SER A 114 12.661 13.427 8.398 1.00 0.00 C ATOM 1456 C SER A 114 13.876 12.461 8.083 1.00 0.00 C ATOM 1457 O SER A 114 14.472 11.877 8.994 1.00 0.00 O ATOM 1458 CB SER A 114 12.061 13.233 9.812 1.00 0.00 C ATOM 1459 OG SER A 114 13.069 13.387 10.813 1.00 0.00 O ATOM 0 H SER A 114 10.734 12.750 7.783 1.00 0.00 H new ATOM 0 HA SER A 114 13.125 14.409 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.264 13.958 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.612 12.243 9.890 1.00 0.00 H new ATOM 0 HG SER A 114 13.844 12.833 10.584 1.00 0.00 H new ATOM 1465 N ALA A 115 14.254 12.333 6.795 1.00 0.00 N ATOM 1466 CA ALA A 115 15.345 11.440 6.309 1.00 0.00 C ATOM 1467 C ALA A 115 15.731 11.615 4.798 1.00 0.00 C ATOM 1468 O ALA A 115 16.875 11.960 4.494 1.00 0.00 O ATOM 1469 CB ALA A 115 15.032 9.951 6.625 1.00 0.00 C ATOM 0 H ALA A 115 13.805 12.855 6.042 1.00 0.00 H new ATOM 0 HA ALA A 115 16.227 11.758 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.844 9.323 6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.930 9.821 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 115 14.102 9.663 6.135 1.00 0.00 H new ATOM 1475 N GLY A 116 14.804 11.354 3.857 1.00 0.00 N ATOM 1476 CA GLY A 116 15.069 11.367 2.403 1.00 0.00 C ATOM 1477 C GLY A 116 15.510 9.976 1.913 1.00 0.00 C ATOM 1478 O GLY A 116 16.299 9.286 2.567 1.00 0.00 O ATOM 0 H GLY A 116 13.837 11.125 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.171 11.678 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 116 15.844 12.099 2.177 1.00 0.00 H new ATOM 1482 N SER A 117 14.982 9.534 0.767 1.00 0.00 N ATOM 1483 CA SER A 117 15.355 8.208 0.212 1.00 0.00 C ATOM 1484 C SER A 117 16.765 8.317 -0.495 1.00 0.00 C ATOM 1485 O SER A 117 16.849 9.073 -1.473 1.00 0.00 O ATOM 1486 CB SER A 117 14.282 7.619 -0.722 1.00 0.00 C ATOM 1487 OG SER A 117 14.442 6.205 -0.851 1.00 0.00 O ATOM 0 H SER A 117 14.307 10.055 0.207 1.00 0.00 H new ATOM 0 HA SER A 117 15.424 7.503 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.290 7.843 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.350 8.088 -1.703 1.00 0.00 H new ATOM 0 HG SER A 117 13.750 5.850 -1.447 1.00 0.00 H new ATOM 1493 N PRO A 118 17.845 7.587 -0.081 1.00 0.00 N ATOM 1494 CA PRO A 118 19.227 7.704 -0.639 1.00 0.00 C ATOM 1495 C PRO A 118 19.566 8.171 -2.109 1.00 0.00 C ATOM 1496 O PRO A 118 20.397 9.079 -2.208 1.00 0.00 O ATOM 1497 CB PRO A 118 19.848 6.356 -0.233 1.00 0.00 C ATOM 1498 CG PRO A 118 19.199 6.036 1.117 1.00 0.00 C ATOM 1499 CD PRO A 118 17.792 6.640 1.051 1.00 0.00 C ATOM 0 HA PRO A 118 19.653 8.620 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.636 5.582 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 118 20.932 6.427 -0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.156 4.960 1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 118 19.772 6.465 1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 118 17.038 5.870 0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.535 7.148 1.981 1.00 0.00 H new ATOM 1507 N PRO A 119 19.017 7.661 -3.253 1.00 0.00 N ATOM 1508 CA PRO A 119 19.411 8.149 -4.609 1.00 0.00 C ATOM 1509 C PRO A 119 18.935 9.568 -5.091 1.00 0.00 C ATOM 1510 O PRO A 119 19.638 10.161 -5.914 1.00 0.00 O ATOM 1511 CB PRO A 119 18.893 7.009 -5.511 1.00 0.00 C ATOM 1512 CG PRO A 119 17.701 6.416 -4.755 1.00 0.00 C ATOM 1513 CD PRO A 119 18.128 6.485 -3.289 1.00 0.00 C ATOM 0 HA PRO A 119 20.483 8.343 -4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.593 7.385 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.665 6.259 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 119 16.790 6.987 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 119 17.500 5.391 -5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.272 6.607 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.647 5.578 -2.977 1.00 0.00 H new ATOM 1521 N LYS A 120 17.768 10.103 -4.663 1.00 0.00 N ATOM 1522 CA LYS A 120 17.258 11.428 -5.164 1.00 0.00 C ATOM 1523 C LYS A 120 16.114 12.160 -4.358 1.00 0.00 C ATOM 1524 O LYS A 120 15.798 13.313 -4.667 1.00 0.00 O ATOM 1525 CB LYS A 120 16.755 11.226 -6.635 1.00 0.00 C ATOM 1526 CG LYS A 120 16.838 12.475 -7.550 1.00 0.00 C ATOM 1527 CD LYS A 120 16.328 12.250 -8.989 1.00 0.00 C ATOM 1528 CE LYS A 120 17.267 11.400 -9.862 1.00 0.00 C ATOM 1529 NZ LYS A 120 16.731 11.314 -11.234 1.00 0.00 N ATOM 0 H LYS A 120 17.158 9.654 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 120 18.116 12.090 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 120 17.336 10.424 -7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 120 15.719 10.890 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 120 16.262 13.281 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 120 17.875 12.809 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.352 11.766 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.182 13.219 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.263 11.842 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 120 17.368 10.401 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.369 10.739 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.789 10.873 -11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 16.657 12.269 -11.638 1.00 0.00 H new ATOM 1542 N ILE A 121 15.475 11.544 -3.351 1.00 0.00 N ATOM 1543 CA ILE A 121 14.300 12.154 -2.639 1.00 0.00 C ATOM 1544 C ILE A 121 14.715 13.228 -1.552 1.00 0.00 C ATOM 1545 O ILE A 121 15.440 12.849 -0.623 1.00 0.00 O ATOM 1546 CB ILE A 121 13.333 11.045 -2.066 1.00 0.00 C ATOM 1547 CG1 ILE A 121 12.742 10.151 -3.196 1.00 0.00 C ATOM 1548 CG2 ILE A 121 12.208 11.610 -1.148 1.00 0.00 C ATOM 1549 CD1 ILE A 121 11.625 9.168 -2.859 1.00 0.00 C ATOM 0 H ILE A 121 15.739 10.624 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 121 13.739 12.713 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 121 13.957 10.419 -1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 121 12.371 10.813 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.564 9.579 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 121 11.583 10.791 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 121 12.656 12.122 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.596 12.313 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 121 11.332 8.628 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 121 11.978 8.460 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 121 10.766 9.713 -2.468 1.00 0.00 H new ATOM 1561 N PRO A 122 14.251 14.521 -1.561 1.00 0.00 N ATOM 1562 CA PRO A 122 14.604 15.506 -0.502 1.00 0.00 C ATOM 1563 C PRO A 122 13.638 15.455 0.754 1.00 0.00 C ATOM 1564 O PRO A 122 12.581 14.813 0.683 1.00 0.00 O ATOM 1565 CB PRO A 122 14.531 16.811 -1.322 1.00 0.00 C ATOM 1566 CG PRO A 122 13.399 16.606 -2.330 1.00 0.00 C ATOM 1567 CD PRO A 122 13.359 15.099 -2.594 1.00 0.00 C ATOM 0 HA PRO A 122 15.566 15.342 -0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 122 14.331 17.667 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.476 17.008 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.449 16.960 -1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.586 17.161 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.345 14.707 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.709 14.862 -3.599 1.00 0.00 H new ATOM 1575 N PRO A 123 13.902 16.152 1.900 1.00 0.00 N ATOM 1576 CA PRO A 123 13.013 16.091 3.107 1.00 0.00 C ATOM 1577 C PRO A 123 11.567 16.727 3.072 1.00 0.00 C ATOM 1578 O PRO A 123 10.938 16.861 4.126 1.00 0.00 O ATOM 1579 CB PRO A 123 13.934 16.705 4.185 1.00 0.00 C ATOM 1580 CG PRO A 123 14.889 17.632 3.437 1.00 0.00 C ATOM 1581 CD PRO A 123 15.165 16.881 2.138 1.00 0.00 C ATOM 0 HA PRO A 123 12.679 15.065 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 123 13.355 17.256 4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 123 14.481 15.929 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 123 14.439 18.607 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 123 15.804 17.807 4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 123 15.398 17.562 1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 123 16.011 16.201 2.237 1.00 0.00 H new ATOM 1589 N ASN A 124 11.010 17.100 1.904 1.00 0.00 N ATOM 1590 CA ASN A 124 9.632 17.652 1.787 1.00 0.00 C ATOM 1591 C ASN A 124 9.016 17.385 0.354 1.00 0.00 C ATOM 1592 O ASN A 124 8.810 18.324 -0.422 1.00 0.00 O ATOM 1593 CB ASN A 124 9.627 19.155 2.207 1.00 0.00 C ATOM 1594 CG ASN A 124 8.245 19.729 2.553 1.00 0.00 C ATOM 1595 OD1 ASN A 124 7.191 19.138 2.344 1.00 0.00 O ATOM 1596 ND2 ASN A 124 8.184 20.905 3.124 1.00 0.00 N ATOM 0 H ASN A 124 11.497 17.030 1.010 1.00 0.00 H new ATOM 0 HA ASN A 124 8.972 17.127 2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.281 19.277 3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.056 19.744 1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.280 21.301 3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.041 21.425 3.313 1.00 0.00 H new ATOM 1603 N ALA A 125 8.721 16.121 -0.027 1.00 0.00 N ATOM 1604 CA ALA A 125 8.102 15.787 -1.341 1.00 0.00 C ATOM 1605 C ALA A 125 6.998 14.693 -1.165 1.00 0.00 C ATOM 1606 O ALA A 125 7.230 13.685 -0.487 1.00 0.00 O ATOM 1607 CB ALA A 125 9.241 15.318 -2.269 1.00 0.00 C ATOM 0 H ALA A 125 8.902 15.306 0.559 1.00 0.00 H new ATOM 0 HA ALA A 125 7.604 16.653 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.832 15.062 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.973 16.118 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.725 14.442 -1.837 1.00 0.00 H new ATOM 1613 N THR A 126 5.802 14.855 -1.774 1.00 0.00 N ATOM 1614 CA THR A 126 4.695 13.856 -1.640 1.00 0.00 C ATOM 1615 C THR A 126 5.053 12.457 -2.314 1.00 0.00 C ATOM 1616 O THR A 126 5.854 12.406 -3.256 1.00 0.00 O ATOM 1617 CB THR A 126 3.320 14.499 -2.003 1.00 0.00 C ATOM 1618 OG1 THR A 126 3.122 15.723 -1.299 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.111 13.630 -1.646 1.00 0.00 C ATOM 0 H THR A 126 5.571 15.657 -2.360 1.00 0.00 H new ATOM 0 HA THR A 126 4.578 13.573 -0.594 1.00 0.00 H new ATOM 0 HB THR A 126 3.373 14.635 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.254 16.106 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.195 14.147 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.173 12.682 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.103 13.441 -0.573 1.00 0.00 H new ATOM 1627 N LEU A 127 4.498 11.315 -1.848 1.00 0.00 N ATOM 1628 CA LEU A 127 4.930 9.954 -2.291 1.00 0.00 C ATOM 1629 C LEU A 127 3.711 9.047 -2.661 1.00 0.00 C ATOM 1630 O LEU A 127 2.567 9.246 -2.232 1.00 0.00 O ATOM 1631 CB LEU A 127 5.776 9.476 -1.068 1.00 0.00 C ATOM 1632 CG LEU A 127 6.862 8.399 -1.261 1.00 0.00 C ATOM 1633 CD1 LEU A 127 8.017 8.958 -2.103 1.00 0.00 C ATOM 1634 CD2 LEU A 127 7.310 7.936 0.126 1.00 0.00 C ATOM 0 H LEU A 127 3.745 11.302 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 127 5.508 9.927 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.262 10.355 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.080 9.104 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 127 6.476 7.539 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.778 8.189 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.641 9.264 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.454 9.818 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.080 7.172 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.712 8.784 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.457 7.522 0.664 1.00 0.00 H new ATOM 1646 N VAL A 128 3.988 8.020 -3.471 1.00 0.00 N ATOM 1647 CA VAL A 128 2.933 7.185 -4.127 1.00 0.00 C ATOM 1648 C VAL A 128 3.381 5.675 -4.207 1.00 0.00 C ATOM 1649 O VAL A 128 4.454 5.418 -4.757 1.00 0.00 O ATOM 1650 CB VAL A 128 2.751 7.814 -5.580 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.680 7.177 -6.467 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.491 9.345 -5.699 1.00 0.00 C ATOM 0 H VAL A 128 4.939 7.732 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 128 1.998 7.190 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 128 3.760 7.584 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.651 7.690 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.917 6.125 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.708 7.261 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.390 9.616 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.574 9.601 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.327 9.891 -5.262 1.00 0.00 H new ATOM 1662 N PHE A 129 2.629 4.667 -3.694 1.00 0.00 N ATOM 1663 CA PHE A 129 3.005 3.213 -3.900 1.00 0.00 C ATOM 1664 C PHE A 129 1.765 2.328 -4.265 1.00 0.00 C ATOM 1665 O PHE A 129 0.804 2.237 -3.510 1.00 0.00 O ATOM 1666 CB PHE A 129 3.819 2.449 -2.820 1.00 0.00 C ATOM 1667 CG PHE A 129 5.075 3.084 -2.229 1.00 0.00 C ATOM 1668 CD1 PHE A 129 4.939 4.054 -1.241 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.354 2.656 -2.609 1.00 0.00 C ATOM 1670 CE1 PHE A 129 6.065 4.648 -0.682 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.483 3.245 -2.042 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.337 4.244 -1.082 1.00 0.00 C ATOM 0 H PHE A 129 1.780 4.810 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 129 3.711 3.347 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.142 2.235 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.110 1.490 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 129 3.955 4.347 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.465 1.870 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 129 5.954 5.423 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.469 2.927 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.211 4.706 -0.647 1.00 0.00 H new ATOM 1682 N GLU A 130 1.792 1.603 -5.382 1.00 0.00 N ATOM 1683 CA GLU A 130 0.705 0.653 -5.767 1.00 0.00 C ATOM 1684 C GLU A 130 1.089 -0.742 -5.251 1.00 0.00 C ATOM 1685 O GLU A 130 2.091 -1.325 -5.671 1.00 0.00 O ATOM 1686 CB GLU A 130 0.448 0.768 -7.277 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.815 0.172 -7.905 1.00 0.00 C ATOM 1688 CD GLU A 130 -0.758 -1.267 -8.404 1.00 0.00 C ATOM 1689 OE1 GLU A 130 0.077 -2.100 -8.069 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -1.758 -1.521 -9.288 1.00 0.00 O ATOM 0 H GLU A 130 2.557 1.644 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.255 0.887 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.458 1.830 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.301 0.315 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.616 0.238 -7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.100 0.805 -8.745 1.00 0.00 H new ATOM 1698 N VAL A 131 0.311 -1.230 -4.284 1.00 0.00 N ATOM 1699 CA VAL A 131 0.659 -2.478 -3.574 1.00 0.00 C ATOM 1700 C VAL A 131 -0.327 -3.643 -3.879 1.00 0.00 C ATOM 1701 O VAL A 131 -1.554 -3.479 -3.863 1.00 0.00 O ATOM 1702 CB VAL A 131 0.767 -2.173 -2.037 1.00 0.00 C ATOM 1703 CG1 VAL A 131 1.364 -3.384 -1.312 1.00 0.00 C ATOM 1704 CG2 VAL A 131 1.693 -0.999 -1.629 1.00 0.00 C ATOM 0 H VAL A 131 -0.556 -0.792 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 131 1.625 -2.828 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.258 -1.920 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.438 -3.170 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.722 -4.252 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.357 -3.593 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.684 -0.888 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.710 -1.204 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.338 -0.078 -2.091 1.00 0.00 H new ATOM 1714 N GLU A 132 0.246 -4.836 -4.110 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.537 -6.080 -4.255 1.00 0.00 C ATOM 1716 C GLU A 132 -0.035 -6.998 -3.116 1.00 0.00 C ATOM 1717 O GLU A 132 1.136 -7.392 -3.055 1.00 0.00 O ATOM 1718 CB GLU A 132 -0.350 -6.727 -5.637 1.00 0.00 C ATOM 1719 CG GLU A 132 -1.242 -7.970 -5.915 1.00 0.00 C ATOM 1720 CD GLU A 132 -1.135 -8.552 -7.325 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -0.596 -8.000 -8.278 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -1.706 -9.783 -7.412 1.00 0.00 O ATOM 0 H GLU A 132 1.253 -4.968 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.608 -5.891 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -0.552 -5.977 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 132 0.695 -7.019 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.983 -8.749 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -2.281 -7.699 -5.730 1.00 0.00 H new ATOM 1730 N LEU A 133 -0.939 -7.289 -2.191 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.614 -8.175 -1.042 1.00 0.00 C ATOM 1732 C LEU A 133 -1.136 -9.605 -1.328 1.00 0.00 C ATOM 1733 O LEU A 133 -2.329 -9.852 -1.506 1.00 0.00 O ATOM 1734 CB LEU A 133 -1.097 -7.608 0.316 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.149 -7.913 1.509 1.00 0.00 C ATOM 1736 CD1 LEU A 133 -0.677 -7.228 2.777 1.00 0.00 C ATOM 1737 CD2 LEU A 133 0.072 -9.401 1.805 1.00 0.00 C ATOM 0 H LEU A 133 -1.897 -6.938 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 133 0.470 -8.223 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -1.212 -6.528 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.083 -8.016 0.537 1.00 0.00 H new ATOM 0 HG LEU A 133 0.822 -7.520 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -0.010 -7.444 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.721 -6.151 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.675 -7.602 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 133 0.748 -9.507 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -0.883 -9.871 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.509 -9.885 0.931 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.200 -10.545 -1.344 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.469 -11.966 -1.647 1.00 0.00 C ATOM 1751 C PHE A 134 -1.064 -12.766 -0.419 1.00 0.00 C ATOM 1752 O PHE A 134 -2.151 -13.334 -0.522 1.00 0.00 O ATOM 1753 CB PHE A 134 0.839 -12.523 -2.297 1.00 0.00 C ATOM 1754 CG PHE A 134 1.456 -11.772 -3.524 1.00 0.00 C ATOM 1755 CD1 PHE A 134 0.732 -11.525 -4.704 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.759 -11.262 -3.426 1.00 0.00 C ATOM 1757 CE1 PHE A 134 1.320 -10.843 -5.766 1.00 0.00 C ATOM 1758 CE2 PHE A 134 3.340 -10.587 -4.488 1.00 0.00 C ATOM 1759 CZ PHE A 134 2.628 -10.391 -5.664 1.00 0.00 C ATOM 0 H PHE A 134 0.782 -10.352 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.282 -12.092 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.601 -12.564 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.642 -13.550 -2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.289 -11.867 -4.787 1.00 0.00 H new ATOM 0 HD2 PHE A 134 3.317 -11.397 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 134 0.757 -10.666 -6.671 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.349 -10.212 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 134 3.092 -9.887 -6.499 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.365 -12.792 0.732 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.793 -13.455 2.012 1.00 0.00 C ATOM 1771 C GLU A 135 0.189 -13.031 3.191 1.00 0.00 C ATOM 1772 O GLU A 135 1.310 -12.552 2.976 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.931 -15.004 1.834 1.00 0.00 C ATOM 1774 CG GLU A 135 -1.702 -15.729 2.973 1.00 0.00 C ATOM 1775 CD GLU A 135 -2.395 -17.044 2.614 1.00 0.00 C ATOM 1776 OE1 GLU A 135 -3.615 -17.165 2.610 1.00 0.00 O ATOM 1777 OE2 GLU A 135 -1.524 -18.056 2.339 1.00 0.00 O ATOM 0 H GLU A 135 0.546 -12.341 0.815 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.789 -13.109 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.437 -15.203 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.067 -15.436 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.001 -15.926 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.456 -15.044 3.362 1.00 0.00 H new ATOM 1785 N PHE A 136 -0.231 -13.206 4.456 1.00 0.00 N ATOM 1786 CA PHE A 136 0.545 -12.792 5.682 1.00 0.00 C ATOM 1787 C PHE A 136 0.465 -13.891 6.788 1.00 0.00 C ATOM 1788 O PHE A 136 1.326 -14.767 6.867 1.00 0.00 O ATOM 1789 CB PHE A 136 0.144 -11.352 6.161 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.308 -10.895 5.963 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -2.357 -11.359 6.759 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -1.600 -10.152 4.819 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.668 -11.219 6.335 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -2.905 -10.000 4.395 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.933 -10.558 5.140 1.00 0.00 C ATOM 0 H PHE A 136 -1.126 -13.642 4.679 1.00 0.00 H new ATOM 0 HA PHE A 136 1.601 -12.714 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.373 -11.280 7.224 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.789 -10.639 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.145 -11.829 7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.798 -9.692 4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -4.478 -11.620 6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -3.123 -9.451 3.491 1.00 0.00 H new ATOM 0 HZ PHE A 136 -4.951 -10.478 4.788 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.596 -13.878 7.608 1.00 0.00 N ATOM 1806 CA LYS A 137 -0.892 -14.925 8.644 1.00 0.00 C ATOM 1807 C LYS A 137 -1.552 -16.172 7.918 1.00 0.00 C ATOM 1808 O LYS A 137 -2.747 -16.467 7.948 1.00 0.00 O ATOM 1809 CB LYS A 137 -1.760 -14.268 9.758 1.00 0.00 C ATOM 1810 CG LYS A 137 -2.085 -15.207 10.940 1.00 0.00 C ATOM 1811 CD LYS A 137 -2.920 -14.563 12.067 1.00 0.00 C ATOM 1812 CE LYS A 137 -4.389 -14.313 11.682 1.00 0.00 C ATOM 1813 NZ LYS A 137 -5.134 -13.819 12.856 1.00 0.00 N ATOM 0 H LYS A 137 -1.295 -13.135 7.584 1.00 0.00 H new ATOM 0 HA LYS A 137 -0.000 -15.307 9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -1.239 -13.389 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -2.694 -13.919 9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.623 -16.075 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -1.149 -15.572 11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.888 -15.208 12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -2.462 -13.616 12.351 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.444 -13.586 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -4.840 -15.234 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -6.025 -13.384 12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -5.342 -14.613 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.561 -13.111 13.358 1.00 0.00 H new ATOM 1826 N GLY A 138 -0.643 -16.860 7.238 1.00 0.00 N ATOM 1827 CA GLY A 138 -0.881 -18.014 6.325 1.00 0.00 C ATOM 1828 C GLY A 138 0.359 -18.300 5.411 1.00 0.00 C ATOM 1829 O GLY A 138 0.656 -19.449 5.091 1.00 0.00 O ATOM 0 H GLY A 138 0.348 -16.627 7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -1.110 -18.902 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -1.752 -17.811 5.702 1.00 0.00 H new