USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 605 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 41 LYS NZ :NH3+ 132:sc= 1.91 (180deg=0) USER MOD Set 1.2: A 53 ASN : amide:sc= 0.949 K(o=2.9,f=-6.3!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 139:sc= 0.0208 (180deg=0) USER MOD Set 2.2: A 28 HIS : no HD1:sc= 0.279 K(o=0.3,f=-8.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.09 F(o=-1.7,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.212 K(o=0.21,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0051) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -120:sc= 0.613 USER MOD Single : A 36 SER OG : rot -90:sc=0.000763 USER MOD Single : A 37 MET CE :methyl -163:sc= 0 (180deg=-0.312) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0349) USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= -0.0102 (180deg=-0.129) USER MOD Single : A 43 SER OG : rot 114:sc= 1.27 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -22:sc= 0.505 USER MOD Single : A 54 SER OG : rot -25:sc= -0.693! USER MOD Single : A 65 ASN : amide:sc=-0.00189 K(o=-0.0019,f=-0.94) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00701 USER MOD Single : A 75 MET CE :methyl -159:sc= -0.041 (180deg=-1.35) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0536 K(o=-0.054,f=-0.62) USER MOD Single : A 87 GLN : amide:sc= -0.0386 X(o=-0.039,f=0.28) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 3.287 3.069 2.020 1.00 0.00 N ATOM 158 CA TYR A 14 2.395 2.226 2.795 1.00 0.00 C ATOM 159 C TYR A 14 2.605 0.759 2.480 1.00 0.00 C ATOM 160 O TYR A 14 3.092 0.398 1.410 1.00 0.00 O ATOM 161 CB TYR A 14 0.930 2.604 2.575 1.00 0.00 C ATOM 162 CG TYR A 14 0.566 4.008 3.014 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.695 5.080 2.150 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.077 4.252 4.290 1.00 0.00 C ATOM 165 CE1 TYR A 14 0.351 6.358 2.539 1.00 0.00 C ATOM 166 CE2 TYR A 14 -0.269 5.529 4.688 1.00 0.00 C ATOM 167 CZ TYR A 14 -0.130 6.578 3.807 1.00 0.00 C ATOM 168 OH TYR A 14 -0.479 7.851 4.192 1.00 0.00 O ATOM 0 HA TYR A 14 2.638 2.392 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.696 2.497 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.301 1.895 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.072 4.914 1.152 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.035 3.431 4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.459 7.182 1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.646 5.703 5.685 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.802 7.836 5.117 1.00 0.00 H new ATOM 178 N ILE A 15 2.213 -0.071 3.413 1.00 0.00 N ATOM 179 CA ILE A 15 2.352 -1.503 3.303 1.00 0.00 C ATOM 180 C ILE A 15 0.962 -2.091 3.164 1.00 0.00 C ATOM 181 O ILE A 15 -0.030 -1.416 3.440 1.00 0.00 O ATOM 182 CB ILE A 15 3.012 -2.097 4.567 1.00 0.00 C ATOM 183 CG1 ILE A 15 1.993 -2.178 5.703 1.00 0.00 C ATOM 184 CG2 ILE A 15 4.197 -1.249 4.975 1.00 0.00 C ATOM 185 CD1 ILE A 15 2.537 -2.759 6.989 1.00 0.00 C ATOM 0 H ILE A 15 1.781 0.233 4.285 1.00 0.00 H new ATOM 0 HA ILE A 15 2.980 -1.738 2.443 1.00 0.00 H new ATOM 0 HB ILE A 15 3.363 -3.105 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.610 -1.177 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.148 -2.782 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.658 -1.673 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.926 -1.228 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.862 -0.234 5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.748 -2.780 7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.893 -3.773 6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.363 -2.143 7.346 1.00 0.00 H new ATOM 197 N LYS A 16 0.859 -3.300 2.723 1.00 0.00 N ATOM 198 CA LYS A 16 -0.448 -3.872 2.567 1.00 0.00 C ATOM 199 C LYS A 16 -0.673 -5.018 3.523 1.00 0.00 C ATOM 200 O LYS A 16 0.246 -5.733 3.876 1.00 0.00 O ATOM 201 CB LYS A 16 -0.690 -4.300 1.134 1.00 0.00 C ATOM 202 CG LYS A 16 -2.155 -4.594 0.849 1.00 0.00 C ATOM 203 CD LYS A 16 -2.466 -4.662 -0.639 1.00 0.00 C ATOM 204 CE LYS A 16 -1.925 -5.919 -1.267 1.00 0.00 C ATOM 205 NZ LYS A 16 -2.230 -5.998 -2.716 1.00 0.00 N ATOM 0 H LYS A 16 1.640 -3.904 2.468 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.174 -3.097 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.343 -3.515 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.097 -5.189 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.428 -5.540 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.772 -3.822 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.545 -4.617 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.039 -3.793 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.845 -5.960 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.348 -6.787 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.401 -6.364 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.038 -6.635 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.465 -5.050 -3.073 1.00 0.00 H new ATOM 219 N ILE A 17 -1.882 -5.139 3.974 1.00 0.00 N ATOM 220 CA ILE A 17 -2.273 -6.216 4.843 1.00 0.00 C ATOM 221 C ILE A 17 -3.410 -7.004 4.231 1.00 0.00 C ATOM 222 O ILE A 17 -4.423 -6.434 3.814 1.00 0.00 O ATOM 223 CB ILE A 17 -2.691 -5.719 6.246 1.00 0.00 C ATOM 224 CG1 ILE A 17 -1.499 -5.133 6.999 1.00 0.00 C ATOM 225 CG2 ILE A 17 -3.341 -6.835 7.048 1.00 0.00 C ATOM 226 CD1 ILE A 17 -1.877 -4.519 8.329 1.00 0.00 C ATOM 0 H ILE A 17 -2.636 -4.490 3.750 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.399 -6.856 4.961 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.427 -4.926 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.761 -5.918 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.023 -4.374 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.625 -6.459 8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.229 -7.190 6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.635 -7.658 7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.985 -4.121 8.813 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.592 -3.713 8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.327 -5.280 8.967 1.00 0.00 H new ATOM 238 N LYS A 18 -3.238 -8.303 4.154 1.00 0.00 N ATOM 239 CA LYS A 18 -4.278 -9.154 3.655 1.00 0.00 C ATOM 240 C LYS A 18 -4.990 -9.757 4.847 1.00 0.00 C ATOM 241 O LYS A 18 -4.461 -10.643 5.522 1.00 0.00 O ATOM 242 CB LYS A 18 -3.706 -10.266 2.762 1.00 0.00 C ATOM 243 CG LYS A 18 -2.476 -9.837 1.943 1.00 0.00 C ATOM 244 CD LYS A 18 -2.031 -10.913 0.964 1.00 0.00 C ATOM 245 CE LYS A 18 -1.523 -12.145 1.682 1.00 0.00 C ATOM 246 NZ LYS A 18 -0.990 -13.160 0.744 1.00 0.00 N ATOM 0 H LYS A 18 -2.385 -8.788 4.432 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.969 -8.572 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.435 -11.117 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.484 -10.607 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.708 -8.924 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.655 -9.603 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.866 -11.186 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.246 -10.517 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.742 -11.857 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.332 -12.582 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.654 -13.985 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.741 -13.455 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.200 -12.753 0.204 1.00 0.00 H new ATOM 260 N VAL A 19 -6.162 -9.254 5.122 1.00 0.00 N ATOM 261 CA VAL A 19 -6.941 -9.698 6.246 1.00 0.00 C ATOM 262 C VAL A 19 -7.697 -10.954 5.886 1.00 0.00 C ATOM 263 O VAL A 19 -8.512 -10.940 4.980 1.00 0.00 O ATOM 264 CB VAL A 19 -7.964 -8.612 6.661 1.00 0.00 C ATOM 265 CG1 VAL A 19 -8.851 -9.108 7.778 1.00 0.00 C ATOM 266 CG2 VAL A 19 -7.263 -7.319 7.065 1.00 0.00 C ATOM 0 H VAL A 19 -6.606 -8.520 4.570 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.259 -9.894 7.074 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.590 -8.398 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.561 -8.328 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.394 -9.993 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.239 -9.362 8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.007 -6.576 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.601 -7.513 7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.680 -6.943 6.224 1.00 0.00 H new ATOM 276 N VAL A 20 -7.433 -12.031 6.591 1.00 0.00 N ATOM 277 CA VAL A 20 -8.132 -13.266 6.342 1.00 0.00 C ATOM 278 C VAL A 20 -9.145 -13.502 7.444 1.00 0.00 C ATOM 279 O VAL A 20 -8.783 -13.723 8.605 1.00 0.00 O ATOM 280 CB VAL A 20 -7.162 -14.468 6.269 1.00 0.00 C ATOM 281 CG1 VAL A 20 -7.919 -15.756 5.975 1.00 0.00 C ATOM 282 CG2 VAL A 20 -6.084 -14.226 5.221 1.00 0.00 C ATOM 0 H VAL A 20 -6.741 -12.074 7.339 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.634 -13.180 5.378 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.677 -14.573 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.217 -16.588 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.646 -15.939 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.437 -15.664 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.412 -15.083 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.550 -14.089 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.518 -13.332 5.481 1.00 0.00 H new ATOM 292 N GLY A 21 -10.411 -13.443 7.089 1.00 0.00 N ATOM 293 CA GLY A 21 -11.451 -13.630 8.078 1.00 0.00 C ATOM 294 C GLY A 21 -11.880 -15.073 8.204 1.00 0.00 C ATOM 295 O GLY A 21 -11.417 -15.931 7.451 1.00 0.00 O ATOM 0 H GLY A 21 -10.741 -13.270 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.096 -13.275 9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.314 -13.020 7.812 1.00 0.00 H new ATOM 299 N GLN A 22 -12.789 -15.337 9.128 1.00 0.00 N ATOM 300 CA GLN A 22 -13.268 -16.693 9.382 1.00 0.00 C ATOM 301 C GLN A 22 -14.347 -17.092 8.409 1.00 0.00 C ATOM 302 O GLN A 22 -14.742 -18.255 8.330 1.00 0.00 O ATOM 303 CB GLN A 22 -13.753 -16.832 10.803 1.00 0.00 C ATOM 304 CG GLN A 22 -12.636 -16.782 11.825 1.00 0.00 C ATOM 305 CD GLN A 22 -13.128 -16.889 13.248 1.00 0.00 C ATOM 306 OE1 GLN A 22 -12.395 -16.297 14.162 1.00 0.00 O flip ATOM 307 NE2 GLN A 22 -14.152 -17.511 13.523 1.00 0.00 N flip ATOM 0 H GLN A 22 -13.216 -14.625 9.721 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.427 -17.371 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.466 -16.036 11.016 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.288 -17.776 10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.935 -17.593 11.628 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.085 -15.849 11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.693 -17.957 12.782 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.461 -17.582 14.493 1.00 0.00 H new ATOM 316 N ASP A 23 -14.805 -16.127 7.668 1.00 0.00 N ATOM 317 CA ASP A 23 -15.761 -16.355 6.598 1.00 0.00 C ATOM 318 C ASP A 23 -15.009 -16.747 5.349 1.00 0.00 C ATOM 319 O ASP A 23 -15.568 -16.768 4.255 1.00 0.00 O ATOM 320 CB ASP A 23 -16.582 -15.094 6.317 1.00 0.00 C ATOM 321 CG ASP A 23 -17.446 -14.668 7.475 1.00 0.00 C ATOM 322 OD1 ASP A 23 -18.467 -15.330 7.737 1.00 0.00 O ATOM 323 OD2 ASP A 23 -17.118 -13.664 8.122 1.00 0.00 O ATOM 0 H ASP A 23 -14.531 -15.151 7.780 1.00 0.00 H new ATOM 0 HA ASP A 23 -16.444 -17.149 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.905 -14.279 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.215 -15.269 5.447 1.00 0.00 H new ATOM 328 N SER A 24 -13.708 -17.029 5.529 1.00 0.00 N ATOM 329 CA SER A 24 -12.820 -17.385 4.436 1.00 0.00 C ATOM 330 C SER A 24 -12.717 -16.222 3.471 1.00 0.00 C ATOM 331 O SER A 24 -12.561 -16.396 2.267 1.00 0.00 O ATOM 332 CB SER A 24 -13.328 -18.646 3.731 1.00 0.00 C ATOM 333 OG SER A 24 -13.410 -19.730 4.646 1.00 0.00 O ATOM 0 H SER A 24 -13.252 -17.013 6.442 1.00 0.00 H new ATOM 0 HA SER A 24 -11.826 -17.600 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.309 -18.456 3.295 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.659 -18.905 2.910 1.00 0.00 H new ATOM 0 HG SER A 24 -13.738 -20.527 4.180 1.00 0.00 H new ATOM 339 N ASN A 25 -12.793 -15.029 4.026 1.00 0.00 N ATOM 340 CA ASN A 25 -12.725 -13.817 3.238 1.00 0.00 C ATOM 341 C ASN A 25 -11.448 -13.054 3.507 1.00 0.00 C ATOM 342 O ASN A 25 -11.254 -12.507 4.592 1.00 0.00 O ATOM 343 CB ASN A 25 -13.950 -12.928 3.492 1.00 0.00 C ATOM 344 CG ASN A 25 -13.898 -11.605 2.731 1.00 0.00 C ATOM 345 OD1 ASN A 25 -13.491 -10.577 3.274 1.00 0.00 O ATOM 346 ND2 ASN A 25 -14.303 -11.624 1.476 1.00 0.00 N ATOM 0 H ASN A 25 -12.903 -14.874 5.028 1.00 0.00 H new ATOM 0 HA ASN A 25 -12.725 -14.109 2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -14.851 -13.470 3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.028 -12.723 4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.286 -10.768 0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.634 -12.495 1.060 1.00 0.00 H new ATOM 353 N GLU A 26 -10.574 -13.065 2.534 1.00 0.00 N ATOM 354 CA GLU A 26 -9.354 -12.295 2.584 1.00 0.00 C ATOM 355 C GLU A 26 -9.583 -10.963 1.890 1.00 0.00 C ATOM 356 O GLU A 26 -10.072 -10.915 0.760 1.00 0.00 O ATOM 357 CB GLU A 26 -8.193 -13.046 1.919 1.00 0.00 C ATOM 358 CG GLU A 26 -6.909 -12.233 1.813 1.00 0.00 C ATOM 359 CD GLU A 26 -5.831 -12.935 1.014 1.00 0.00 C ATOM 360 OE1 GLU A 26 -5.309 -13.962 1.475 1.00 0.00 O ATOM 361 OE2 GLU A 26 -5.498 -12.449 -0.093 1.00 0.00 O ATOM 0 H GLU A 26 -10.687 -13.610 1.680 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.084 -12.130 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.990 -13.955 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.499 -13.355 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.131 -11.272 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.534 -12.024 2.815 1.00 0.00 H new ATOM 368 N VAL A 27 -9.242 -9.901 2.565 1.00 0.00 N ATOM 369 CA VAL A 27 -9.425 -8.566 2.043 1.00 0.00 C ATOM 370 C VAL A 27 -8.159 -7.770 2.242 1.00 0.00 C ATOM 371 O VAL A 27 -7.500 -7.880 3.270 1.00 0.00 O ATOM 372 CB VAL A 27 -10.638 -7.858 2.703 1.00 0.00 C ATOM 373 CG1 VAL A 27 -10.472 -7.794 4.203 1.00 0.00 C ATOM 374 CG2 VAL A 27 -10.844 -6.467 2.124 1.00 0.00 C ATOM 0 H VAL A 27 -8.827 -9.932 3.496 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.639 -8.636 0.976 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.528 -8.448 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.334 -7.294 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.395 -8.805 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.567 -7.238 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.701 -5.996 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.953 -5.865 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.027 -6.542 1.052 1.00 0.00 H new ATOM 384 N HIS A 28 -7.803 -6.993 1.260 1.00 0.00 N ATOM 385 CA HIS A 28 -6.559 -6.281 1.309 1.00 0.00 C ATOM 386 C HIS A 28 -6.751 -4.834 1.700 1.00 0.00 C ATOM 387 O HIS A 28 -7.401 -4.064 0.998 1.00 0.00 O ATOM 388 CB HIS A 28 -5.839 -6.371 -0.034 1.00 0.00 C ATOM 389 CG HIS A 28 -5.378 -7.754 -0.387 1.00 0.00 C ATOM 390 ND1 HIS A 28 -4.449 -8.011 -1.369 1.00 0.00 N ATOM 391 CD2 HIS A 28 -5.749 -8.962 0.095 1.00 0.00 C ATOM 392 CE1 HIS A 28 -4.272 -9.315 -1.474 1.00 0.00 C ATOM 393 NE2 HIS A 28 -5.049 -9.910 -0.597 1.00 0.00 N ATOM 0 H HIS A 28 -8.355 -6.837 0.417 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.946 -6.752 2.077 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.506 -6.010 -0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.977 -5.705 -0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -6.466 -9.144 0.882 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.603 -9.809 -2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.118 -10.918 -0.455 1.00 0.00 H new ATOM 401 N PHE A 29 -6.179 -4.483 2.822 1.00 0.00 N ATOM 402 CA PHE A 29 -6.180 -3.117 3.307 1.00 0.00 C ATOM 403 C PHE A 29 -4.795 -2.531 3.210 1.00 0.00 C ATOM 404 O PHE A 29 -3.797 -3.233 3.399 1.00 0.00 O ATOM 405 CB PHE A 29 -6.658 -3.032 4.754 1.00 0.00 C ATOM 406 CG PHE A 29 -8.126 -3.245 4.943 1.00 0.00 C ATOM 407 CD1 PHE A 29 -8.640 -4.504 5.176 1.00 0.00 C ATOM 408 CD2 PHE A 29 -8.997 -2.168 4.899 1.00 0.00 C ATOM 409 CE1 PHE A 29 -9.993 -4.685 5.362 1.00 0.00 C ATOM 410 CE2 PHE A 29 -10.350 -2.346 5.081 1.00 0.00 C ATOM 411 CZ PHE A 29 -10.848 -3.605 5.314 1.00 0.00 C ATOM 0 H PHE A 29 -5.694 -5.139 3.434 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.870 -2.550 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.119 -3.773 5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.393 -2.053 5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.976 -5.355 5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.609 -1.176 4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.384 -5.675 5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.018 -1.498 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.909 -3.748 5.459 1.00 0.00 H new ATOM 421 N ARG A 30 -4.725 -1.262 2.905 1.00 0.00 N ATOM 422 CA ARG A 30 -3.456 -0.591 2.801 1.00 0.00 C ATOM 423 C ARG A 30 -3.218 0.259 4.046 1.00 0.00 C ATOM 424 O ARG A 30 -3.989 1.175 4.345 1.00 0.00 O ATOM 425 CB ARG A 30 -3.417 0.279 1.553 1.00 0.00 C ATOM 426 CG ARG A 30 -2.069 0.913 1.300 1.00 0.00 C ATOM 427 CD ARG A 30 -1.033 -0.119 0.878 1.00 0.00 C ATOM 428 NE ARG A 30 -1.340 -0.732 -0.420 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.488 -1.509 -1.099 1.00 0.00 C ATOM 430 NH1 ARG A 30 0.757 -1.661 -0.666 1.00 0.00 N ATOM 431 NH2 ARG A 30 -0.872 -2.102 -2.229 1.00 0.00 N ATOM 0 H ARG A 30 -5.536 -0.670 2.724 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.666 -1.338 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.692 -0.326 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.167 1.064 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.164 1.672 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.730 1.421 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.053 0.355 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.972 -0.898 1.638 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.258 -0.555 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.063 -1.186 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.408 -2.253 -1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.820 -1.965 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.218 -2.693 -2.742 1.00 0.00 H new ATOM 445 N VAL A 31 -2.160 -0.048 4.759 1.00 0.00 N ATOM 446 CA VAL A 31 -1.829 0.652 5.999 1.00 0.00 C ATOM 447 C VAL A 31 -0.349 1.005 6.042 1.00 0.00 C ATOM 448 O VAL A 31 0.423 0.551 5.223 1.00 0.00 O ATOM 449 CB VAL A 31 -2.169 -0.191 7.243 1.00 0.00 C ATOM 450 CG1 VAL A 31 -3.653 -0.530 7.294 1.00 0.00 C ATOM 451 CG2 VAL A 31 -1.323 -1.445 7.283 1.00 0.00 C ATOM 0 H VAL A 31 -1.501 -0.785 4.506 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.430 1.561 6.013 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.939 0.405 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.860 -1.125 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.235 0.391 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.927 -1.098 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.577 -2.027 8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.513 -2.041 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.268 -1.171 7.319 1.00 0.00 H new ATOM 461 N LYS A 32 0.024 1.833 6.970 1.00 0.00 N ATOM 462 CA LYS A 32 1.407 2.220 7.131 1.00 0.00 C ATOM 463 C LYS A 32 2.087 1.267 8.116 1.00 0.00 C ATOM 464 O LYS A 32 1.411 0.551 8.850 1.00 0.00 O ATOM 465 CB LYS A 32 1.488 3.652 7.656 1.00 0.00 C ATOM 466 CG LYS A 32 2.801 4.352 7.332 1.00 0.00 C ATOM 467 CD LYS A 32 2.814 5.782 7.843 1.00 0.00 C ATOM 468 CE LYS A 32 4.018 6.561 7.315 1.00 0.00 C ATOM 469 NZ LYS A 32 5.310 5.981 7.761 1.00 0.00 N ATOM 0 H LYS A 32 -0.614 2.263 7.639 1.00 0.00 H new ATOM 0 HA LYS A 32 1.913 2.168 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.665 4.230 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.350 3.641 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.628 3.799 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.959 4.349 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.895 6.284 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.832 5.779 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.987 6.577 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.953 7.596 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.093 6.574 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.333 5.942 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.410 5.020 7.377 1.00 0.00 H new ATOM 483 N TYR A 33 3.413 1.254 8.128 1.00 0.00 N ATOM 484 CA TYR A 33 4.149 0.460 9.121 1.00 0.00 C ATOM 485 C TYR A 33 3.754 0.870 10.546 1.00 0.00 C ATOM 486 O TYR A 33 3.613 0.027 11.426 1.00 0.00 O ATOM 487 CB TYR A 33 5.666 0.640 8.963 1.00 0.00 C ATOM 488 CG TYR A 33 6.296 -0.187 7.868 1.00 0.00 C ATOM 489 CD1 TYR A 33 6.816 0.404 6.724 1.00 0.00 C ATOM 490 CD2 TYR A 33 6.381 -1.569 7.987 1.00 0.00 C ATOM 491 CE1 TYR A 33 7.402 -0.360 5.730 1.00 0.00 C ATOM 492 CE2 TYR A 33 6.963 -2.339 7.002 1.00 0.00 C ATOM 493 CZ TYR A 33 7.471 -1.732 5.877 1.00 0.00 C ATOM 494 OH TYR A 33 8.043 -2.498 4.891 1.00 0.00 O ATOM 0 H TYR A 33 4.000 1.773 7.475 1.00 0.00 H new ATOM 0 HA TYR A 33 3.890 -0.585 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.874 1.692 8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.147 0.390 9.909 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.762 1.476 6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.983 -2.050 8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.803 0.113 4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.020 -3.412 7.113 1.00 0.00 H new ATOM 0 HH TYR A 33 8.012 -3.442 5.151 1.00 0.00 H new ATOM 504 N GLY A 34 3.557 2.164 10.752 1.00 0.00 N ATOM 505 CA GLY A 34 3.221 2.672 12.068 1.00 0.00 C ATOM 506 C GLY A 34 1.731 2.802 12.272 1.00 0.00 C ATOM 507 O GLY A 34 1.280 3.546 13.145 1.00 0.00 O ATOM 0 H GLY A 34 3.624 2.877 10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.632 2.007 12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.691 3.645 12.209 1.00 0.00 H new ATOM 511 N THR A 35 0.965 2.108 11.451 1.00 0.00 N ATOM 512 CA THR A 35 -0.458 2.127 11.550 1.00 0.00 C ATOM 513 C THR A 35 -0.945 1.533 12.879 1.00 0.00 C ATOM 514 O THR A 35 -0.431 0.517 13.356 1.00 0.00 O ATOM 515 CB THR A 35 -1.097 1.402 10.347 1.00 0.00 C ATOM 516 OG1 THR A 35 -1.320 2.326 9.270 1.00 0.00 O ATOM 517 CG2 THR A 35 -2.383 0.697 10.725 1.00 0.00 C ATOM 0 H THR A 35 1.325 1.519 10.700 1.00 0.00 H new ATOM 0 HA THR A 35 -0.777 3.169 11.530 1.00 0.00 H new ATOM 0 HB THR A 35 -0.397 0.635 10.016 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.276 2.356 9.057 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.797 0.201 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.178 -0.044 11.498 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.100 1.426 11.102 1.00 0.00 H new ATOM 525 N SER A 36 -1.913 2.199 13.476 1.00 0.00 N ATOM 526 CA SER A 36 -2.484 1.772 14.729 1.00 0.00 C ATOM 527 C SER A 36 -3.707 0.897 14.482 1.00 0.00 C ATOM 528 O SER A 36 -4.341 1.000 13.430 1.00 0.00 O ATOM 529 CB SER A 36 -2.841 2.989 15.565 1.00 0.00 C ATOM 530 OG SER A 36 -1.676 3.734 15.890 1.00 0.00 O ATOM 0 H SER A 36 -2.324 3.054 13.101 1.00 0.00 H new ATOM 0 HA SER A 36 -1.754 1.176 15.277 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.541 3.620 15.017 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.344 2.674 16.479 1.00 0.00 H new ATOM 0 HG SER A 36 -1.302 3.404 16.733 1.00 0.00 H new ATOM 536 N MET A 37 -4.049 0.058 15.464 1.00 0.00 N ATOM 537 CA MET A 37 -5.169 -0.895 15.340 1.00 0.00 C ATOM 538 C MET A 37 -6.473 -0.229 14.881 1.00 0.00 C ATOM 539 O MET A 37 -7.261 -0.838 14.167 1.00 0.00 O ATOM 540 CB MET A 37 -5.419 -1.612 16.672 1.00 0.00 C ATOM 541 CG MET A 37 -5.940 -0.704 17.782 1.00 0.00 C ATOM 542 SD MET A 37 -6.310 -1.595 19.302 1.00 0.00 S ATOM 543 CE MET A 37 -6.882 -0.257 20.351 1.00 0.00 C ATOM 0 H MET A 37 -3.566 0.015 16.361 1.00 0.00 H new ATOM 0 HA MET A 37 -4.872 -1.612 14.575 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.136 -2.417 16.510 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.489 -2.075 17.003 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.199 0.068 17.991 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.840 -0.196 17.436 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.862 -0.577 21.393 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.231 0.608 20.225 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.901 0.012 20.074 1.00 0.00 H new ATOM 553 N ALA A 38 -6.678 1.021 15.268 1.00 0.00 N ATOM 554 CA ALA A 38 -7.905 1.734 14.938 1.00 0.00 C ATOM 555 C ALA A 38 -8.092 1.870 13.440 1.00 0.00 C ATOM 556 O ALA A 38 -9.203 1.759 12.940 1.00 0.00 O ATOM 557 CB ALA A 38 -7.931 3.096 15.591 1.00 0.00 C ATOM 0 H ALA A 38 -6.009 1.565 15.813 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.733 1.142 15.327 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.857 3.608 15.329 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.873 2.982 16.673 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.081 3.683 15.242 1.00 0.00 H new ATOM 563 N LYS A 39 -6.997 2.084 12.727 1.00 0.00 N ATOM 564 CA LYS A 39 -7.047 2.305 11.289 1.00 0.00 C ATOM 565 C LYS A 39 -7.655 1.108 10.572 1.00 0.00 C ATOM 566 O LYS A 39 -8.427 1.265 9.646 1.00 0.00 O ATOM 567 CB LYS A 39 -5.639 2.557 10.750 1.00 0.00 C ATOM 568 CG LYS A 39 -4.968 3.795 11.330 1.00 0.00 C ATOM 569 CD LYS A 39 -5.750 5.049 10.993 1.00 0.00 C ATOM 570 CE LYS A 39 -5.021 6.309 11.429 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.829 6.370 12.899 1.00 0.00 N ATOM 0 H LYS A 39 -6.057 2.109 13.123 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.674 3.177 11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.018 1.686 10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.688 2.657 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.885 3.694 12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.954 3.879 10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.929 5.087 9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.726 5.009 11.477 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.050 6.353 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.584 7.183 11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.404 7.284 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.749 6.270 13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.199 5.599 13.199 1.00 0.00 H new ATOM 585 N LEU A 40 -7.308 -0.078 11.015 1.00 0.00 N ATOM 586 CA LEU A 40 -7.801 -1.295 10.399 1.00 0.00 C ATOM 587 C LEU A 40 -9.137 -1.736 10.987 1.00 0.00 C ATOM 588 O LEU A 40 -10.043 -2.113 10.257 1.00 0.00 O ATOM 589 CB LEU A 40 -6.760 -2.436 10.467 1.00 0.00 C ATOM 590 CG LEU A 40 -5.953 -2.575 11.771 1.00 0.00 C ATOM 591 CD1 LEU A 40 -5.448 -3.999 11.923 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.761 -1.635 11.753 1.00 0.00 C ATOM 0 H LEU A 40 -6.682 -0.230 11.806 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.970 -1.063 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.279 -3.378 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.055 -2.300 9.646 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.607 -2.324 12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.879 -4.086 12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.295 -4.684 11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.807 -4.250 11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.199 -1.743 12.680 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.118 -1.880 10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.110 -0.607 11.658 1.00 0.00 H new ATOM 604 N LYS A 41 -9.251 -1.684 12.308 1.00 0.00 N ATOM 605 CA LYS A 41 -10.468 -2.115 13.005 1.00 0.00 C ATOM 606 C LYS A 41 -11.651 -1.277 12.627 1.00 0.00 C ATOM 607 O LYS A 41 -12.712 -1.803 12.336 1.00 0.00 O ATOM 608 CB LYS A 41 -10.244 -2.044 14.495 1.00 0.00 C ATOM 609 CG LYS A 41 -9.278 -3.076 15.027 1.00 0.00 C ATOM 610 CD LYS A 41 -8.828 -2.702 16.416 1.00 0.00 C ATOM 611 CE LYS A 41 -10.000 -2.632 17.392 1.00 0.00 C ATOM 612 NZ LYS A 41 -9.568 -2.253 18.763 1.00 0.00 N ATOM 0 H LYS A 41 -8.513 -1.346 12.926 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.683 -3.142 12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.873 -1.051 14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.202 -2.165 15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.754 -4.056 15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.415 -3.152 14.366 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.102 -3.433 16.772 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.321 -1.737 16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.729 -1.908 17.030 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.501 -3.599 17.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.184 -1.497 19.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.633 -3.081 19.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.585 -1.915 18.736 1.00 0.00 H new ATOM 626 N LYS A 42 -11.464 0.020 12.606 1.00 0.00 N ATOM 627 CA LYS A 42 -12.525 0.923 12.200 1.00 0.00 C ATOM 628 C LYS A 42 -12.903 0.642 10.758 1.00 0.00 C ATOM 629 O LYS A 42 -14.081 0.617 10.401 1.00 0.00 O ATOM 630 CB LYS A 42 -12.090 2.384 12.361 1.00 0.00 C ATOM 631 CG LYS A 42 -13.166 3.398 11.994 1.00 0.00 C ATOM 632 CD LYS A 42 -12.709 4.826 12.263 1.00 0.00 C ATOM 633 CE LYS A 42 -11.580 5.250 11.329 1.00 0.00 C ATOM 634 NZ LYS A 42 -12.022 5.338 9.912 1.00 0.00 N ATOM 0 H LYS A 42 -10.590 0.478 12.864 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.392 0.758 12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.787 2.550 13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.212 2.561 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.423 3.291 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.071 3.192 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.553 5.505 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.375 4.911 13.297 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.193 6.218 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.759 4.537 11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.284 5.804 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.190 4.381 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.901 5.891 9.856 1.00 0.00 H new ATOM 648 N SER A 43 -11.887 0.424 9.945 1.00 0.00 N ATOM 649 CA SER A 43 -12.067 0.171 8.523 1.00 0.00 C ATOM 650 C SER A 43 -12.791 -1.160 8.242 1.00 0.00 C ATOM 651 O SER A 43 -13.739 -1.209 7.451 1.00 0.00 O ATOM 652 CB SER A 43 -10.706 0.209 7.822 1.00 0.00 C ATOM 653 OG SER A 43 -10.188 1.527 7.808 1.00 0.00 O ATOM 0 H SER A 43 -10.913 0.417 10.249 1.00 0.00 H new ATOM 0 HA SER A 43 -12.708 0.957 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.009 -0.456 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.807 -0.159 6.801 1.00 0.00 H new ATOM 0 HG SER A 43 -9.378 1.566 8.358 1.00 0.00 H new ATOM 659 N TYR A 44 -12.344 -2.225 8.884 1.00 0.00 N ATOM 660 CA TYR A 44 -12.937 -3.537 8.697 1.00 0.00 C ATOM 661 C TYR A 44 -14.309 -3.633 9.335 1.00 0.00 C ATOM 662 O TYR A 44 -15.242 -4.151 8.731 1.00 0.00 O ATOM 663 CB TYR A 44 -12.028 -4.596 9.253 1.00 0.00 C ATOM 664 CG TYR A 44 -12.441 -6.000 8.903 1.00 0.00 C ATOM 665 CD1 TYR A 44 -11.883 -6.656 7.821 1.00 0.00 C ATOM 666 CD2 TYR A 44 -13.396 -6.662 9.647 1.00 0.00 C ATOM 667 CE1 TYR A 44 -12.266 -7.937 7.490 1.00 0.00 C ATOM 668 CE2 TYR A 44 -13.787 -7.940 9.332 1.00 0.00 C ATOM 669 CZ TYR A 44 -13.216 -8.577 8.250 1.00 0.00 C ATOM 670 OH TYR A 44 -13.609 -9.853 7.919 1.00 0.00 O ATOM 0 H TYR A 44 -11.567 -2.206 9.544 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.063 -3.695 7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.017 -4.423 8.885 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -11.993 -4.498 10.338 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.134 -6.155 7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.845 -6.165 10.494 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.823 -8.435 6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.536 -8.442 9.927 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.286 -10.162 8.556 1.00 0.00 H new ATOM 680 N ALA A 45 -14.433 -3.121 10.554 1.00 0.00 N ATOM 681 CA ALA A 45 -15.715 -3.146 11.266 1.00 0.00 C ATOM 682 C ALA A 45 -16.768 -2.425 10.452 1.00 0.00 C ATOM 683 O ALA A 45 -17.952 -2.748 10.511 1.00 0.00 O ATOM 684 CB ALA A 45 -15.592 -2.520 12.651 1.00 0.00 C ATOM 0 H ALA A 45 -13.670 -2.685 11.071 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.013 -4.186 11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.559 -2.554 13.153 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.859 -3.075 13.237 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.270 -1.483 12.554 1.00 0.00 H new ATOM 690 N ASP A 46 -16.314 -1.457 9.687 1.00 0.00 N ATOM 691 CA ASP A 46 -17.172 -0.674 8.810 1.00 0.00 C ATOM 692 C ASP A 46 -17.826 -1.541 7.734 1.00 0.00 C ATOM 693 O ASP A 46 -19.037 -1.494 7.539 1.00 0.00 O ATOM 694 CB ASP A 46 -16.355 0.426 8.145 1.00 0.00 C ATOM 695 CG ASP A 46 -17.154 1.243 7.160 1.00 0.00 C ATOM 696 OD1 ASP A 46 -18.069 1.972 7.586 1.00 0.00 O ATOM 697 OD2 ASP A 46 -16.850 1.179 5.951 1.00 0.00 O ATOM 0 H ASP A 46 -15.332 -1.185 9.652 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.964 -0.240 9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.952 1.086 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.504 -0.022 7.631 1.00 0.00 H new ATOM 702 N ARG A 47 -17.015 -2.360 7.067 1.00 0.00 N ATOM 703 CA ARG A 47 -17.494 -3.190 5.956 1.00 0.00 C ATOM 704 C ARG A 47 -18.413 -4.301 6.454 1.00 0.00 C ATOM 705 O ARG A 47 -19.247 -4.810 5.709 1.00 0.00 O ATOM 706 CB ARG A 47 -16.306 -3.792 5.180 1.00 0.00 C ATOM 707 CG ARG A 47 -15.612 -4.954 5.887 1.00 0.00 C ATOM 708 CD ARG A 47 -14.288 -5.310 5.227 1.00 0.00 C ATOM 709 NE ARG A 47 -14.426 -5.688 3.817 1.00 0.00 N ATOM 710 CZ ARG A 47 -14.553 -6.943 3.360 1.00 0.00 C ATOM 711 NH1 ARG A 47 -14.623 -7.966 4.202 1.00 0.00 N ATOM 712 NH2 ARG A 47 -14.627 -7.161 2.054 1.00 0.00 N ATOM 0 H ARG A 47 -16.022 -2.469 7.274 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.066 -2.550 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -16.660 -4.134 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.574 -3.006 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.439 -4.692 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -16.267 -5.826 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.612 -4.459 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.827 -6.133 5.773 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.425 -4.936 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.580 -7.802 5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.720 -8.916 3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.587 -6.377 1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.724 -8.113 1.701 1.00 0.00 H new ATOM 726 N THR A 48 -18.256 -4.668 7.712 1.00 0.00 N ATOM 727 CA THR A 48 -19.045 -5.736 8.288 1.00 0.00 C ATOM 728 C THR A 48 -20.208 -5.202 9.141 1.00 0.00 C ATOM 729 O THR A 48 -21.074 -5.970 9.567 1.00 0.00 O ATOM 730 CB THR A 48 -18.160 -6.716 9.104 1.00 0.00 C ATOM 731 OG1 THR A 48 -18.956 -7.752 9.693 1.00 0.00 O ATOM 732 CG2 THR A 48 -17.387 -5.989 10.181 1.00 0.00 C ATOM 0 H THR A 48 -17.588 -4.241 8.354 1.00 0.00 H new ATOM 0 HA THR A 48 -19.482 -6.289 7.457 1.00 0.00 H new ATOM 0 HB THR A 48 -17.449 -7.167 8.412 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.885 -7.449 9.765 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.777 -6.702 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.742 -5.239 9.723 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.084 -5.501 10.863 1.00 0.00 H new ATOM 740 N GLY A 49 -20.223 -3.889 9.385 1.00 0.00 N ATOM 741 CA GLY A 49 -21.305 -3.288 10.155 1.00 0.00 C ATOM 742 C GLY A 49 -21.309 -3.720 11.612 1.00 0.00 C ATOM 743 O GLY A 49 -22.369 -3.986 12.187 1.00 0.00 O ATOM 0 H GLY A 49 -19.509 -3.234 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.220 -2.202 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.259 -3.555 9.700 1.00 0.00 H new ATOM 747 N VAL A 50 -20.135 -3.805 12.206 1.00 0.00 N ATOM 748 CA VAL A 50 -20.016 -4.250 13.578 1.00 0.00 C ATOM 749 C VAL A 50 -19.255 -3.218 14.419 1.00 0.00 C ATOM 750 O VAL A 50 -18.659 -2.284 13.873 1.00 0.00 O ATOM 751 CB VAL A 50 -19.292 -5.622 13.656 1.00 0.00 C ATOM 752 CG1 VAL A 50 -17.783 -5.475 13.525 1.00 0.00 C ATOM 753 CG2 VAL A 50 -19.666 -6.361 14.921 1.00 0.00 C ATOM 0 H VAL A 50 -19.249 -3.571 11.758 1.00 0.00 H new ATOM 0 HA VAL A 50 -21.024 -4.361 13.978 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.629 -6.217 12.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.315 -6.458 13.585 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.544 -5.017 12.565 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.407 -4.845 14.331 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.145 -7.318 14.951 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.380 -5.766 15.788 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.742 -6.533 14.937 1.00 0.00 H new ATOM 763 N ALA A 51 -19.314 -3.374 15.743 1.00 0.00 N ATOM 764 CA ALA A 51 -18.585 -2.514 16.654 1.00 0.00 C ATOM 765 C ALA A 51 -17.095 -2.595 16.365 1.00 0.00 C ATOM 766 O ALA A 51 -16.549 -3.684 16.156 1.00 0.00 O ATOM 767 CB ALA A 51 -18.875 -2.917 18.096 1.00 0.00 C ATOM 0 H ALA A 51 -19.867 -4.097 16.203 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.910 -1.484 16.510 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -18.323 -2.266 18.774 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.943 -2.823 18.292 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.566 -3.950 18.254 1.00 0.00 H new ATOM 773 N VAL A 52 -16.448 -1.451 16.380 1.00 0.00 N ATOM 774 CA VAL A 52 -15.038 -1.348 16.041 1.00 0.00 C ATOM 775 C VAL A 52 -14.175 -2.179 16.979 1.00 0.00 C ATOM 776 O VAL A 52 -13.277 -2.891 16.537 1.00 0.00 O ATOM 777 CB VAL A 52 -14.569 0.130 16.058 1.00 0.00 C ATOM 778 CG1 VAL A 52 -13.058 0.237 15.894 1.00 0.00 C ATOM 779 CG2 VAL A 52 -15.288 0.928 14.978 1.00 0.00 C ATOM 0 H VAL A 52 -16.882 -0.562 16.628 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.920 -1.742 15.032 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.824 0.552 17.030 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.764 1.286 15.910 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.565 -0.291 16.710 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.763 -0.208 14.944 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.948 1.963 15.003 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.069 0.498 14.001 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.363 0.895 15.156 1.00 0.00 H new ATOM 789 N ASN A 53 -14.455 -2.110 18.266 1.00 0.00 N ATOM 790 CA ASN A 53 -13.660 -2.863 19.234 1.00 0.00 C ATOM 791 C ASN A 53 -14.125 -4.297 19.384 1.00 0.00 C ATOM 792 O ASN A 53 -13.425 -5.120 19.978 1.00 0.00 O ATOM 793 CB ASN A 53 -13.576 -2.161 20.590 1.00 0.00 C ATOM 794 CG ASN A 53 -12.672 -0.945 20.550 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.746 -0.875 19.739 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.921 0.009 21.418 1.00 0.00 N ATOM 0 H ASN A 53 -15.210 -1.554 18.666 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.651 -2.898 18.824 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.575 -1.859 20.903 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.206 -2.862 21.338 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.338 0.846 21.437 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.697 -0.087 22.073 1.00 0.00 H new ATOM 803 N SER A 54 -15.298 -4.618 18.844 1.00 0.00 N ATOM 804 CA SER A 54 -15.765 -5.991 18.891 1.00 0.00 C ATOM 805 C SER A 54 -15.076 -6.786 17.802 1.00 0.00 C ATOM 806 O SER A 54 -15.099 -8.013 17.793 1.00 0.00 O ATOM 807 CB SER A 54 -17.285 -6.075 18.741 1.00 0.00 C ATOM 808 OG SER A 54 -17.712 -5.700 17.442 1.00 0.00 O ATOM 0 H SER A 54 -15.926 -3.961 18.381 1.00 0.00 H new ATOM 0 HA SER A 54 -15.516 -6.411 19.866 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.614 -7.093 18.951 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.758 -5.428 19.479 1.00 0.00 H new ATOM 0 HG SER A 54 -17.046 -5.105 17.038 1.00 0.00 H new ATOM 814 N LEU A 55 -14.463 -6.058 16.887 1.00 0.00 N ATOM 815 CA LEU A 55 -13.706 -6.635 15.815 1.00 0.00 C ATOM 816 C LEU A 55 -12.246 -6.563 16.207 1.00 0.00 C ATOM 817 O LEU A 55 -11.759 -5.505 16.611 1.00 0.00 O ATOM 818 CB LEU A 55 -13.969 -5.851 14.514 1.00 0.00 C ATOM 819 CG LEU A 55 -13.600 -6.543 13.187 1.00 0.00 C ATOM 820 CD1 LEU A 55 -12.095 -6.703 13.030 1.00 0.00 C ATOM 821 CD2 LEU A 55 -14.299 -7.889 13.067 1.00 0.00 C ATOM 0 H LEU A 55 -14.483 -5.038 16.876 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.994 -7.672 15.639 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.029 -5.599 14.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.419 -4.911 14.569 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.946 -5.899 12.379 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.878 -7.195 12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.621 -5.722 13.046 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.706 -7.307 13.849 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.024 -8.359 12.123 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.996 -8.531 13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.379 -7.742 13.098 1.00 0.00 H new ATOM 833 N ARG A 56 -11.546 -7.663 16.110 1.00 0.00 N ATOM 834 CA ARG A 56 -10.174 -7.675 16.537 1.00 0.00 C ATOM 835 C ARG A 56 -9.285 -8.383 15.544 1.00 0.00 C ATOM 836 O ARG A 56 -9.641 -9.436 15.000 1.00 0.00 O ATOM 837 CB ARG A 56 -10.037 -8.319 17.933 1.00 0.00 C ATOM 838 CG ARG A 56 -10.536 -9.764 18.026 1.00 0.00 C ATOM 839 CD ARG A 56 -12.036 -9.848 18.316 1.00 0.00 C ATOM 840 NE ARG A 56 -12.384 -9.243 19.608 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.509 -9.499 20.291 1.00 0.00 C ATOM 842 NH1 ARG A 56 -14.382 -10.398 19.843 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.747 -8.861 21.433 1.00 0.00 N ATOM 0 H ARG A 56 -11.897 -8.548 15.745 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.847 -6.637 16.597 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.988 -8.292 18.229 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.587 -7.713 18.653 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.321 -10.280 17.091 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.988 -10.285 18.811 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.587 -9.346 17.521 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.348 -10.892 18.310 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.723 -8.581 20.015 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.198 -10.899 18.974 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.235 -10.586 20.369 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.075 -8.180 21.786 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.602 -9.053 21.956 1.00 0.00 H new ATOM 857 N PHE A 57 -8.135 -7.795 15.306 1.00 0.00 N ATOM 858 CA PHE A 57 -7.143 -8.380 14.429 1.00 0.00 C ATOM 859 C PHE A 57 -5.988 -8.917 15.229 1.00 0.00 C ATOM 860 O PHE A 57 -5.550 -8.297 16.208 1.00 0.00 O ATOM 861 CB PHE A 57 -6.594 -7.351 13.468 1.00 0.00 C ATOM 862 CG PHE A 57 -7.583 -6.812 12.513 1.00 0.00 C ATOM 863 CD1 PHE A 57 -8.181 -5.601 12.734 1.00 0.00 C ATOM 864 CD2 PHE A 57 -7.898 -7.509 11.378 1.00 0.00 C ATOM 865 CE1 PHE A 57 -9.075 -5.099 11.834 1.00 0.00 C ATOM 866 CE2 PHE A 57 -8.796 -7.009 10.480 1.00 0.00 C ATOM 867 CZ PHE A 57 -9.382 -5.806 10.707 1.00 0.00 C ATOM 0 H PHE A 57 -7.860 -6.901 15.713 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.634 -9.181 13.877 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.175 -6.525 14.042 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.773 -7.798 12.907 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.944 -5.040 13.626 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.431 -8.465 11.191 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.541 -4.141 12.013 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.040 -7.570 9.590 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.091 -5.408 9.996 1.00 0.00 H new ATOM 877 N LEU A 58 -5.499 -10.053 14.828 1.00 0.00 N ATOM 878 CA LEU A 58 -4.352 -10.638 15.456 1.00 0.00 C ATOM 879 C LEU A 58 -3.310 -11.007 14.427 1.00 0.00 C ATOM 880 O LEU A 58 -3.630 -11.489 13.344 1.00 0.00 O ATOM 881 CB LEU A 58 -4.720 -11.855 16.308 1.00 0.00 C ATOM 882 CG LEU A 58 -5.172 -11.550 17.743 1.00 0.00 C ATOM 883 CD1 LEU A 58 -6.615 -11.079 17.794 1.00 0.00 C ATOM 884 CD2 LEU A 58 -4.951 -12.747 18.649 1.00 0.00 C ATOM 0 H LEU A 58 -5.883 -10.600 14.057 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.934 -9.887 16.126 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.517 -12.401 15.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.857 -12.519 16.352 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.555 -10.730 18.111 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.895 -10.874 18.827 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.722 -10.170 17.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.265 -11.854 17.389 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.280 -12.504 19.660 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.523 -13.596 18.276 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.891 -13.002 18.663 1.00 0.00 H new ATOM 896 N PHE A 59 -2.073 -10.764 14.764 1.00 0.00 N ATOM 897 CA PHE A 59 -0.969 -11.097 13.906 1.00 0.00 C ATOM 898 C PHE A 59 -0.243 -12.278 14.504 1.00 0.00 C ATOM 899 O PHE A 59 0.239 -12.195 15.615 1.00 0.00 O ATOM 900 CB PHE A 59 -0.006 -9.913 13.797 1.00 0.00 C ATOM 901 CG PHE A 59 1.121 -10.128 12.821 1.00 0.00 C ATOM 902 CD1 PHE A 59 1.064 -9.592 11.552 1.00 0.00 C ATOM 903 CD2 PHE A 59 2.233 -10.869 13.180 1.00 0.00 C ATOM 904 CE1 PHE A 59 2.098 -9.783 10.657 1.00 0.00 C ATOM 905 CE2 PHE A 59 3.270 -11.068 12.292 1.00 0.00 C ATOM 906 CZ PHE A 59 3.204 -10.521 11.028 1.00 0.00 C ATOM 0 H PHE A 59 -1.801 -10.328 15.645 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.339 -11.338 12.909 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.567 -9.028 13.499 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.414 -9.708 14.782 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.200 -9.016 11.254 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.290 -11.298 14.170 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.041 -9.355 9.667 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.131 -11.650 12.586 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.015 -10.669 10.330 1.00 0.00 H new ATOM 916 N ASP A 60 -0.190 -13.374 13.779 1.00 0.00 N ATOM 917 CA ASP A 60 0.497 -14.593 14.243 1.00 0.00 C ATOM 918 C ASP A 60 0.017 -15.009 15.650 1.00 0.00 C ATOM 919 O ASP A 60 0.775 -15.552 16.454 1.00 0.00 O ATOM 920 CB ASP A 60 2.009 -14.358 14.227 1.00 0.00 C ATOM 921 CG ASP A 60 2.820 -15.624 14.413 1.00 0.00 C ATOM 922 OD1 ASP A 60 2.700 -16.550 13.579 1.00 0.00 O ATOM 923 OD2 ASP A 60 3.602 -15.693 15.380 1.00 0.00 O ATOM 0 H ASP A 60 -0.614 -13.461 12.855 1.00 0.00 H new ATOM 0 HA ASP A 60 0.254 -15.413 13.567 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.286 -13.894 13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.267 -13.652 15.016 1.00 0.00 H new ATOM 928 N GLY A 61 -1.251 -14.757 15.919 1.00 0.00 N ATOM 929 CA GLY A 61 -1.840 -15.143 17.188 1.00 0.00 C ATOM 930 C GLY A 61 -1.607 -14.134 18.304 1.00 0.00 C ATOM 931 O GLY A 61 -1.829 -14.440 19.479 1.00 0.00 O ATOM 0 H GLY A 61 -1.891 -14.288 15.278 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.913 -15.281 17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.430 -16.107 17.490 1.00 0.00 H new ATOM 935 N ARG A 62 -1.168 -12.935 17.953 1.00 0.00 N ATOM 936 CA ARG A 62 -0.940 -11.895 18.948 1.00 0.00 C ATOM 937 C ARG A 62 -1.747 -10.645 18.606 1.00 0.00 C ATOM 938 O ARG A 62 -2.001 -10.361 17.438 1.00 0.00 O ATOM 939 CB ARG A 62 0.567 -11.585 19.068 1.00 0.00 C ATOM 940 CG ARG A 62 1.151 -10.796 17.902 1.00 0.00 C ATOM 941 CD ARG A 62 1.220 -9.312 18.195 1.00 0.00 C ATOM 942 NE ARG A 62 2.356 -8.979 19.050 1.00 0.00 N ATOM 943 CZ ARG A 62 2.518 -7.802 19.654 1.00 0.00 C ATOM 944 NH1 ARG A 62 1.554 -6.894 19.618 1.00 0.00 N ATOM 945 NH2 ARG A 62 3.630 -7.550 20.320 1.00 0.00 N ATOM 0 H ARG A 62 -0.963 -12.658 16.993 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.281 -12.253 19.919 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.737 -11.026 19.988 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.111 -12.525 19.161 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.151 -11.168 17.678 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.543 -10.961 17.012 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.296 -8.760 17.258 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.296 -8.994 18.678 1.00 0.00 H new ATOM 0 HE ARG A 62 3.071 -9.692 19.194 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.683 -7.094 19.126 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.683 -5.995 20.082 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.364 -8.256 20.372 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.755 -6.649 20.782 1.00 0.00 H new ATOM 959 N ARG A 63 -2.138 -9.909 19.628 1.00 0.00 N ATOM 960 CA ARG A 63 -2.986 -8.731 19.462 1.00 0.00 C ATOM 961 C ARG A 63 -2.274 -7.600 18.744 1.00 0.00 C ATOM 962 O ARG A 63 -1.092 -7.347 18.972 1.00 0.00 O ATOM 963 CB ARG A 63 -3.467 -8.224 20.826 1.00 0.00 C ATOM 964 CG ARG A 63 -4.322 -9.209 21.602 1.00 0.00 C ATOM 965 CD ARG A 63 -5.631 -9.488 20.890 1.00 0.00 C ATOM 966 NE ARG A 63 -6.429 -8.263 20.698 1.00 0.00 N ATOM 967 CZ ARG A 63 -7.737 -8.159 20.969 1.00 0.00 C ATOM 968 NH1 ARG A 63 -8.409 -9.204 21.434 1.00 0.00 N ATOM 969 NH2 ARG A 63 -8.366 -7.005 20.767 1.00 0.00 N ATOM 0 H ARG A 63 -1.881 -10.104 20.596 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.834 -9.042 18.851 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.597 -7.964 21.429 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.037 -7.307 20.677 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.774 -10.141 21.737 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.525 -8.812 22.597 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.426 -9.943 19.921 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.209 -10.211 21.465 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.952 -7.438 20.334 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.930 -10.091 21.587 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.405 -9.120 21.639 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.853 -6.201 20.406 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.362 -6.924 20.973 1.00 0.00 H new ATOM 983 N ILE A 64 -2.999 -6.935 17.864 1.00 0.00 N ATOM 984 CA ILE A 64 -2.493 -5.747 17.217 1.00 0.00 C ATOM 985 C ILE A 64 -3.148 -4.551 17.872 1.00 0.00 C ATOM 986 O ILE A 64 -4.360 -4.350 17.738 1.00 0.00 O ATOM 987 CB ILE A 64 -2.831 -5.724 15.710 1.00 0.00 C ATOM 988 CG1 ILE A 64 -2.262 -6.969 15.024 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.273 -4.448 15.063 1.00 0.00 C ATOM 990 CD1 ILE A 64 -2.736 -7.146 13.601 1.00 0.00 C ATOM 0 H ILE A 64 -3.943 -7.201 17.583 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.408 -5.729 17.320 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.914 -5.727 15.589 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.174 -6.912 15.031 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.539 -7.851 15.602 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.517 -4.442 14.001 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.715 -3.574 15.542 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.190 -4.421 15.187 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.292 -8.048 13.179 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.822 -7.236 13.588 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.436 -6.282 13.007 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.375 -3.779 18.592 1.00 0.00 N ATOM 1003 CA ASN A 65 -2.901 -2.632 19.294 1.00 0.00 C ATOM 1004 C ASN A 65 -2.345 -1.340 18.737 1.00 0.00 C ATOM 1005 O ASN A 65 -1.425 -1.344 17.923 1.00 0.00 O ATOM 1006 CB ASN A 65 -2.619 -2.736 20.792 1.00 0.00 C ATOM 1007 CG ASN A 65 -3.393 -3.861 21.460 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -4.487 -4.225 21.028 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -2.833 -4.420 22.513 1.00 0.00 N ATOM 0 H ASN A 65 -1.372 -3.924 18.709 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.981 -2.622 19.145 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.552 -2.894 20.946 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.874 -1.791 21.272 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.307 -5.181 22.999 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.925 -4.092 22.842 1.00 0.00 H new ATOM 1016 N ASP A 66 -2.915 -0.232 19.176 1.00 0.00 N ATOM 1017 CA ASP A 66 -2.518 1.095 18.708 1.00 0.00 C ATOM 1018 C ASP A 66 -1.159 1.500 19.261 1.00 0.00 C ATOM 1019 O ASP A 66 -0.549 2.455 18.790 1.00 0.00 O ATOM 1020 CB ASP A 66 -3.566 2.140 19.116 1.00 0.00 C ATOM 1021 CG ASP A 66 -3.731 2.250 20.624 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.968 1.212 21.280 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -3.631 3.373 21.158 1.00 0.00 O ATOM 0 H ASP A 66 -3.666 -0.221 19.866 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.448 1.050 17.621 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.279 3.112 18.714 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.525 1.880 18.668 1.00 0.00 H new ATOM 1028 N ASP A 67 -0.691 0.779 20.261 1.00 0.00 N ATOM 1029 CA ASP A 67 0.579 1.077 20.875 1.00 0.00 C ATOM 1030 C ASP A 67 1.692 0.263 20.261 1.00 0.00 C ATOM 1031 O ASP A 67 2.872 0.543 20.482 1.00 0.00 O ATOM 1032 CB ASP A 67 0.522 0.824 22.374 1.00 0.00 C ATOM 1033 CG ASP A 67 -0.451 1.730 23.097 1.00 0.00 C ATOM 1034 OD1 ASP A 67 -0.376 2.965 22.913 1.00 0.00 O ATOM 1035 OD2 ASP A 67 -1.291 1.216 23.861 1.00 0.00 O ATOM 0 H ASP A 67 -1.178 -0.021 20.664 1.00 0.00 H new ATOM 0 HA ASP A 67 0.788 2.132 20.698 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.240 -0.214 22.550 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.517 0.960 22.797 1.00 0.00 H new ATOM 1040 N ASP A 68 1.322 -0.741 19.498 1.00 0.00 N ATOM 1041 CA ASP A 68 2.292 -1.617 18.871 1.00 0.00 C ATOM 1042 C ASP A 68 3.018 -0.941 17.729 1.00 0.00 C ATOM 1043 O ASP A 68 2.470 -0.068 17.048 1.00 0.00 O ATOM 1044 CB ASP A 68 1.648 -2.911 18.402 1.00 0.00 C ATOM 1045 CG ASP A 68 1.266 -3.819 19.541 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.173 -4.342 20.217 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.068 -4.034 19.761 1.00 0.00 O ATOM 0 H ASP A 68 0.350 -0.974 19.294 1.00 0.00 H new ATOM 0 HA ASP A 68 3.033 -1.858 19.633 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.759 -2.678 17.816 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.337 -3.436 17.741 1.00 0.00 H new ATOM 1052 N THR A 69 4.250 -1.353 17.524 1.00 0.00 N ATOM 1053 CA THR A 69 5.090 -0.810 16.485 1.00 0.00 C ATOM 1054 C THR A 69 5.274 -1.846 15.378 1.00 0.00 C ATOM 1055 O THR A 69 5.055 -3.042 15.601 1.00 0.00 O ATOM 1056 CB THR A 69 6.473 -0.443 17.062 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.095 -1.623 17.594 1.00 0.00 O ATOM 1058 CG2 THR A 69 6.337 0.602 18.160 1.00 0.00 C ATOM 0 H THR A 69 4.699 -2.081 18.080 1.00 0.00 H new ATOM 0 HA THR A 69 4.615 0.084 16.081 1.00 0.00 H new ATOM 0 HB THR A 69 7.088 -0.028 16.263 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.975 -1.393 17.960 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.324 0.847 18.554 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.876 1.501 17.751 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.714 0.207 18.963 1.00 0.00 H new ATOM 1066 N PRO A 70 5.693 -1.417 14.172 1.00 0.00 N ATOM 1067 CA PRO A 70 5.928 -2.333 13.047 1.00 0.00 C ATOM 1068 C PRO A 70 7.019 -3.350 13.368 1.00 0.00 C ATOM 1069 O PRO A 70 7.077 -4.418 12.775 1.00 0.00 O ATOM 1070 CB PRO A 70 6.390 -1.400 11.913 1.00 0.00 C ATOM 1071 CG PRO A 70 6.847 -0.160 12.604 1.00 0.00 C ATOM 1072 CD PRO A 70 5.952 -0.015 13.795 1.00 0.00 C ATOM 0 HA PRO A 70 5.041 -2.916 12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.196 -1.850 11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.577 -1.189 11.218 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.891 -0.240 12.905 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.770 0.707 11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.434 0.539 14.600 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.032 0.516 13.549 1.00 0.00 H new ATOM 1080 N LYS A 71 7.875 -2.996 14.317 1.00 0.00 N ATOM 1081 CA LYS A 71 8.949 -3.805 14.742 1.00 0.00 C ATOM 1082 C LYS A 71 8.403 -5.056 15.460 1.00 0.00 C ATOM 1083 O LYS A 71 8.848 -6.167 15.213 1.00 0.00 O ATOM 1084 CB LYS A 71 9.819 -2.936 15.697 1.00 0.00 C ATOM 1085 CG LYS A 71 11.179 -3.499 16.047 1.00 0.00 C ATOM 1086 CD LYS A 71 11.052 -4.822 16.711 1.00 0.00 C ATOM 1087 CE LYS A 71 10.661 -4.715 18.169 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.737 -6.031 18.847 1.00 0.00 N ATOM 0 H LYS A 71 7.817 -2.106 14.811 1.00 0.00 H new ATOM 0 HA LYS A 71 9.551 -4.152 13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.959 -1.957 15.239 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.263 -2.779 16.621 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.779 -3.598 15.143 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.705 -2.807 16.705 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.307 -5.418 16.183 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.000 -5.355 16.633 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.318 -4.006 18.672 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.648 -4.321 18.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.463 -5.924 19.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.091 -6.700 18.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.710 -6.394 18.792 1.00 0.00 H new ATOM 1102 N THR A 72 7.427 -4.851 16.325 1.00 0.00 N ATOM 1103 CA THR A 72 6.890 -5.924 17.143 1.00 0.00 C ATOM 1104 C THR A 72 5.731 -6.618 16.438 1.00 0.00 C ATOM 1105 O THR A 72 5.523 -7.820 16.600 1.00 0.00 O ATOM 1106 CB THR A 72 6.475 -5.412 18.559 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.221 -6.515 19.442 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.237 -4.532 18.491 1.00 0.00 C ATOM 0 H THR A 72 6.987 -3.944 16.480 1.00 0.00 H new ATOM 0 HA THR A 72 7.681 -6.660 17.287 1.00 0.00 H new ATOM 0 HB THR A 72 7.305 -4.820 18.944 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.964 -6.175 20.324 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.976 -4.193 19.494 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.439 -3.669 17.857 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.407 -5.103 18.073 1.00 0.00 H new ATOM 1116 N LEU A 73 4.976 -5.854 15.651 1.00 0.00 N ATOM 1117 CA LEU A 73 3.917 -6.425 14.848 1.00 0.00 C ATOM 1118 C LEU A 73 4.530 -7.191 13.703 1.00 0.00 C ATOM 1119 O LEU A 73 3.909 -8.078 13.136 1.00 0.00 O ATOM 1120 CB LEU A 73 2.980 -5.340 14.327 1.00 0.00 C ATOM 1121 CG LEU A 73 2.196 -4.589 15.394 1.00 0.00 C ATOM 1122 CD1 LEU A 73 1.395 -3.455 14.776 1.00 0.00 C ATOM 1123 CD2 LEU A 73 1.283 -5.542 16.152 1.00 0.00 C ATOM 0 H LEU A 73 5.083 -4.844 15.558 1.00 0.00 H new ATOM 0 HA LEU A 73 3.324 -7.101 15.465 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.567 -4.620 13.757 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.273 -5.796 13.634 1.00 0.00 H new ATOM 0 HG LEU A 73 2.905 -4.157 16.100 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.843 -2.932 15.557 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.072 -2.758 14.282 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.695 -3.860 14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.730 -4.989 16.911 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.582 -6.004 15.457 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.882 -6.316 16.632 1.00 0.00 H new ATOM 1135 N GLU A 74 5.773 -6.813 13.374 1.00 0.00 N ATOM 1136 CA GLU A 74 6.565 -7.464 12.348 1.00 0.00 C ATOM 1137 C GLU A 74 5.816 -7.561 11.008 1.00 0.00 C ATOM 1138 O GLU A 74 6.019 -8.500 10.229 1.00 0.00 O ATOM 1139 CB GLU A 74 6.972 -8.830 12.856 1.00 0.00 C ATOM 1140 CG GLU A 74 7.830 -8.785 14.108 1.00 0.00 C ATOM 1141 CD GLU A 74 8.182 -10.155 14.635 1.00 0.00 C ATOM 1142 OE1 GLU A 74 9.369 -10.528 14.579 1.00 0.00 O ATOM 1143 OE2 GLU A 74 7.278 -10.867 15.121 1.00 0.00 O ATOM 0 H GLU A 74 6.254 -6.035 13.825 1.00 0.00 H new ATOM 0 HA GLU A 74 7.452 -6.863 12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.075 -9.413 13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.518 -9.352 12.070 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.748 -8.238 13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.302 -8.229 14.883 1.00 0.00 H new ATOM 1150 N MET A 75 4.984 -6.562 10.733 1.00 0.00 N ATOM 1151 CA MET A 75 4.207 -6.525 9.502 1.00 0.00 C ATOM 1152 C MET A 75 5.037 -5.955 8.372 1.00 0.00 C ATOM 1153 O MET A 75 6.006 -5.225 8.607 1.00 0.00 O ATOM 1154 CB MET A 75 2.943 -5.680 9.671 1.00 0.00 C ATOM 1155 CG MET A 75 2.022 -6.157 10.775 1.00 0.00 C ATOM 1156 SD MET A 75 0.460 -5.253 10.819 1.00 0.00 S ATOM 1157 CE MET A 75 1.025 -3.599 11.217 1.00 0.00 C ATOM 0 H MET A 75 4.831 -5.764 11.350 1.00 0.00 H new ATOM 0 HA MET A 75 3.917 -7.549 9.265 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.233 -4.649 9.875 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.393 -5.677 8.730 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.819 -7.219 10.639 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.526 -6.049 11.735 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.200 -3.024 11.638 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.836 -3.656 11.943 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.383 -3.109 10.312 1.00 0.00 H new ATOM 1167 N GLU A 76 4.662 -6.284 7.154 1.00 0.00 N ATOM 1168 CA GLU A 76 5.347 -5.806 5.983 1.00 0.00 C ATOM 1169 C GLU A 76 4.387 -5.802 4.810 1.00 0.00 C ATOM 1170 O GLU A 76 3.200 -6.085 4.984 1.00 0.00 O ATOM 1171 CB GLU A 76 6.595 -6.646 5.693 1.00 0.00 C ATOM 1172 CG GLU A 76 6.331 -8.122 5.470 1.00 0.00 C ATOM 1173 CD GLU A 76 7.610 -8.911 5.338 1.00 0.00 C ATOM 1174 OE1 GLU A 76 8.383 -8.648 4.394 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.859 -9.793 6.181 1.00 0.00 O ATOM 0 H GLU A 76 3.869 -6.894 6.953 1.00 0.00 H new ATOM 0 HA GLU A 76 5.690 -4.786 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.090 -6.242 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.290 -6.537 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.746 -8.515 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.731 -8.251 4.569 1.00 0.00 H new ATOM 1182 N ASP A 77 4.882 -5.465 3.637 1.00 0.00 N ATOM 1183 CA ASP A 77 4.043 -5.369 2.458 1.00 0.00 C ATOM 1184 C ASP A 77 3.324 -6.684 2.138 1.00 0.00 C ATOM 1185 O ASP A 77 3.939 -7.745 1.984 1.00 0.00 O ATOM 1186 CB ASP A 77 4.840 -4.874 1.241 1.00 0.00 C ATOM 1187 CG ASP A 77 6.021 -5.754 0.880 1.00 0.00 C ATOM 1188 OD1 ASP A 77 7.020 -5.751 1.625 1.00 0.00 O ATOM 1189 OD2 ASP A 77 5.958 -6.442 -0.169 1.00 0.00 O ATOM 0 H ASP A 77 5.866 -5.252 3.473 1.00 0.00 H new ATOM 0 HA ASP A 77 3.274 -4.632 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.171 -4.810 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.199 -3.864 1.441 1.00 0.00 H new ATOM 1194 N ASP A 78 2.002 -6.576 2.091 1.00 0.00 N ATOM 1195 CA ASP A 78 1.078 -7.658 1.735 1.00 0.00 C ATOM 1196 C ASP A 78 1.149 -8.804 2.729 1.00 0.00 C ATOM 1197 O ASP A 78 0.969 -9.968 2.357 1.00 0.00 O ATOM 1198 CB ASP A 78 1.315 -8.202 0.319 1.00 0.00 C ATOM 1199 CG ASP A 78 1.445 -7.145 -0.764 1.00 0.00 C ATOM 1200 OD1 ASP A 78 0.587 -7.108 -1.657 1.00 0.00 O ATOM 1201 OD2 ASP A 78 2.409 -6.365 -0.744 1.00 0.00 O ATOM 0 H ASP A 78 1.521 -5.703 2.307 1.00 0.00 H new ATOM 0 HA ASP A 78 0.083 -7.214 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.222 -8.806 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.491 -8.867 0.059 1.00 0.00 H new ATOM 1206 N ASP A 79 1.394 -8.491 3.996 1.00 0.00 N ATOM 1207 CA ASP A 79 1.446 -9.530 5.015 1.00 0.00 C ATOM 1208 C ASP A 79 0.038 -9.995 5.333 1.00 0.00 C ATOM 1209 O ASP A 79 -0.933 -9.448 4.816 1.00 0.00 O ATOM 1210 CB ASP A 79 2.144 -9.059 6.286 1.00 0.00 C ATOM 1211 CG ASP A 79 2.850 -10.198 7.003 1.00 0.00 C ATOM 1212 OD1 ASP A 79 4.088 -10.281 6.909 1.00 0.00 O ATOM 1213 OD2 ASP A 79 2.171 -11.028 7.638 1.00 0.00 O ATOM 0 H ASP A 79 1.557 -7.544 4.337 1.00 0.00 H new ATOM 0 HA ASP A 79 2.032 -10.359 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.868 -8.284 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.412 -8.607 6.956 1.00 0.00 H new ATOM 1218 N VAL A 80 -0.079 -10.970 6.181 1.00 0.00 N ATOM 1219 CA VAL A 80 -1.363 -11.546 6.486 1.00 0.00 C ATOM 1220 C VAL A 80 -1.773 -11.254 7.917 1.00 0.00 C ATOM 1221 O VAL A 80 -0.945 -11.223 8.830 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.354 -13.069 6.251 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -1.162 -13.368 4.783 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -0.251 -13.720 7.059 1.00 0.00 C ATOM 0 H VAL A 80 0.704 -11.390 6.681 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.090 -11.088 5.815 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.313 -13.476 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.157 -14.447 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.977 -12.923 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.213 -12.950 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.257 -14.796 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.712 -13.308 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.413 -13.525 8.119 1.00 0.00 H new ATOM 1234 N ILE A 81 -3.051 -11.050 8.098 1.00 0.00 N ATOM 1235 CA ILE A 81 -3.614 -10.743 9.389 1.00 0.00 C ATOM 1236 C ILE A 81 -4.784 -11.675 9.672 1.00 0.00 C ATOM 1237 O ILE A 81 -5.534 -12.040 8.758 1.00 0.00 O ATOM 1238 CB ILE A 81 -4.060 -9.246 9.463 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -3.152 -8.450 10.404 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -5.512 -9.100 9.875 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -1.737 -8.274 9.901 1.00 0.00 C ATOM 0 H ILE A 81 -3.739 -11.092 7.346 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.850 -10.895 10.152 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.965 -8.837 8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.592 -7.466 10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.122 -8.951 11.371 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.775 -8.043 9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.149 -9.607 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.657 -9.545 10.859 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.162 -7.699 10.627 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.275 -9.252 9.764 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.753 -7.744 8.949 1.00 0.00 H new ATOM 1253 N GLU A 82 -4.936 -12.064 10.922 1.00 0.00 N ATOM 1254 CA GLU A 82 -5.987 -12.985 11.297 1.00 0.00 C ATOM 1255 C GLU A 82 -7.077 -12.267 12.069 1.00 0.00 C ATOM 1256 O GLU A 82 -6.799 -11.380 12.874 1.00 0.00 O ATOM 1257 CB GLU A 82 -5.408 -14.114 12.129 1.00 0.00 C ATOM 1258 CG GLU A 82 -4.304 -14.869 11.414 1.00 0.00 C ATOM 1259 CD GLU A 82 -3.692 -15.959 12.255 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -4.081 -17.135 12.085 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -2.800 -15.658 13.075 1.00 0.00 O ATOM 0 H GLU A 82 -4.345 -11.756 11.694 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.429 -13.400 10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.018 -13.708 13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.205 -14.809 12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.704 -15.306 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.525 -14.167 11.117 1.00 0.00 H new ATOM 1268 N VAL A 83 -8.311 -12.638 11.815 1.00 0.00 N ATOM 1269 CA VAL A 83 -9.442 -12.026 12.482 1.00 0.00 C ATOM 1270 C VAL A 83 -10.201 -13.037 13.318 1.00 0.00 C ATOM 1271 O VAL A 83 -10.475 -14.158 12.872 1.00 0.00 O ATOM 1272 CB VAL A 83 -10.407 -11.360 11.477 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -11.636 -10.794 12.176 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -9.700 -10.271 10.729 1.00 0.00 C ATOM 0 H VAL A 83 -8.560 -13.367 11.146 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.038 -11.255 13.138 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.740 -12.126 10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.294 -10.333 11.439 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.168 -11.598 12.684 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.327 -10.045 12.906 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.389 -9.808 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.342 -9.519 11.433 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.854 -10.692 10.186 1.00 0.00 H new ATOM 1284 N TYR A 84 -10.507 -12.646 14.531 1.00 0.00 N ATOM 1285 CA TYR A 84 -11.281 -13.457 15.429 1.00 0.00 C ATOM 1286 C TYR A 84 -12.724 -12.999 15.414 1.00 0.00 C ATOM 1287 O TYR A 84 -13.028 -11.928 14.887 1.00 0.00 O ATOM 1288 CB TYR A 84 -10.681 -13.440 16.832 1.00 0.00 C ATOM 1289 CG TYR A 84 -9.434 -14.292 16.943 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -8.203 -13.827 16.502 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -9.493 -15.571 17.482 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -7.071 -14.612 16.590 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -8.364 -16.359 17.577 1.00 0.00 C ATOM 1294 CZ TYR A 84 -7.157 -15.875 17.129 1.00 0.00 C ATOM 1295 OH TYR A 84 -6.031 -16.660 17.212 1.00 0.00 O ATOM 0 H TYR A 84 -10.222 -11.748 14.923 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.256 -14.494 15.093 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.441 -12.413 17.108 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.424 -13.796 17.545 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.129 -12.834 16.083 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.439 -15.956 17.833 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.122 -14.236 16.237 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.428 -17.350 18.001 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.262 -17.522 17.618 1.00 0.00 H new ATOM 1305 N GLN A 85 -13.598 -13.785 16.001 1.00 0.00 N ATOM 1306 CA GLN A 85 -15.025 -13.545 15.904 1.00 0.00 C ATOM 1307 C GLN A 85 -15.431 -12.263 16.615 1.00 0.00 C ATOM 1308 O GLN A 85 -15.014 -11.997 17.748 1.00 0.00 O ATOM 1309 CB GLN A 85 -15.789 -14.738 16.487 1.00 0.00 C ATOM 1310 CG GLN A 85 -17.295 -14.611 16.392 1.00 0.00 C ATOM 1311 CD GLN A 85 -17.778 -14.529 14.962 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.181 -15.111 14.055 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -18.861 -13.823 14.751 1.00 0.00 N ATOM 0 H GLN A 85 -13.345 -14.603 16.555 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.277 -13.428 14.850 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -15.478 -15.644 15.968 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -15.510 -14.858 17.534 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.760 -15.467 16.881 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.617 -13.721 16.933 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.325 -13.356 15.530 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -19.240 -13.740 13.808 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.229 -11.463 15.922 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.694 -10.207 16.431 1.00 0.00 C ATOM 1324 C GLU A 86 -17.904 -10.416 17.346 1.00 0.00 C ATOM 1325 O GLU A 86 -18.732 -11.298 17.108 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.009 -9.242 15.272 1.00 0.00 C ATOM 1327 CG GLU A 86 -18.230 -9.615 14.444 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.004 -10.741 13.441 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.966 -11.099 12.736 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -16.876 -11.262 13.350 1.00 0.00 O ATOM 0 H GLU A 86 -16.567 -11.681 14.985 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.906 -9.752 17.031 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.156 -8.242 15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.142 -9.193 14.613 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.035 -9.906 15.120 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.570 -8.731 13.905 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.991 -9.599 18.385 1.00 0.00 N ATOM 1338 CA GLN A 87 -19.022 -9.750 19.413 1.00 0.00 C ATOM 1339 C GLN A 87 -20.433 -9.530 18.876 1.00 0.00 C ATOM 1340 O GLN A 87 -21.340 -10.311 19.151 1.00 0.00 O ATOM 1341 CB GLN A 87 -18.743 -8.787 20.575 1.00 0.00 C ATOM 1342 CG GLN A 87 -19.741 -8.876 21.715 1.00 0.00 C ATOM 1343 CD GLN A 87 -19.814 -10.266 22.322 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -20.627 -11.090 21.918 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -18.953 -10.536 23.281 1.00 0.00 N ATOM 0 H GLN A 87 -17.356 -8.817 18.543 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.976 -10.781 19.763 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.745 -8.987 20.965 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.737 -7.767 20.192 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.467 -8.160 22.489 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -20.728 -8.590 21.352 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.292 -9.823 23.589 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.947 -11.459 23.716 1.00 0.00 H new ATOM 1354 N LEU A 88 -20.610 -8.484 18.099 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.929 -8.133 17.613 1.00 0.00 C ATOM 1356 C LEU A 88 -22.238 -8.747 16.259 1.00 0.00 C ATOM 1357 O LEU A 88 -23.383 -8.722 15.811 1.00 0.00 O ATOM 1358 CB LEU A 88 -22.088 -6.619 17.560 1.00 0.00 C ATOM 1359 CG LEU A 88 -21.950 -5.889 18.895 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -22.129 -4.396 18.699 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.949 -6.426 19.911 1.00 0.00 C ATOM 0 H LEU A 88 -19.862 -7.863 17.790 1.00 0.00 H new ATOM 0 HA LEU A 88 -22.649 -8.548 18.319 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -21.345 -6.219 16.870 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -23.068 -6.390 17.142 1.00 0.00 H new ATOM 0 HG LEU A 88 -20.948 -6.068 19.284 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -22.028 -3.888 19.658 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -21.369 -4.026 18.011 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -23.119 -4.199 18.287 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -22.832 -5.891 20.854 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -23.962 -6.283 19.536 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -22.769 -7.489 20.072 1.00 0.00 H new