USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 94 MET CE :methyl -144:sc= -1.59! (180deg=-1.13) USER MOD Set 1.2: A 105 CYS SG : rot -170:sc= -3.22! USER MOD Single : A 9 LYS NZ :NH3+ -115:sc= -1.77 (180deg=-6.82!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -35:sc= 0.729 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 25 ASN : amide:sc= -2.56! C(o=-2.6!,f=-8.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 113:sc= -0.821 USER MOD Single : A 34 TYR OH : rot 90:sc= -0.653 USER MOD Single : A 35 SER OG : rot 180:sc= -2.75! USER MOD Single : A 36 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0113 F(o=-1.1,f=-0.011) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= -2.1 USER MOD Single : A 46 GLN :FLIP amide:sc= -2.09 F(o=-3.7!,f=-2.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 82 SER OG : rot 180:sc= -1.18 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.147 (180deg=-0.636) USER MOD Single : A 91 SER OG : rot 180:sc= -0.155 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.427 F(o=-2.6!,f=-0.43) USER MOD Single : A 104 CYS SG : rot 180:sc= -0.402 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -1.202 8.390 -8.852 1.00 0.00 N ATOM 113 CA LYS A 9 -2.497 8.284 -8.186 1.00 0.00 C ATOM 114 C LYS A 9 -2.353 7.643 -6.806 1.00 0.00 C ATOM 115 O LYS A 9 -1.782 8.245 -5.896 1.00 0.00 O ATOM 116 CB LYS A 9 -3.487 7.496 -9.046 1.00 0.00 C ATOM 117 CG LYS A 9 -2.833 6.669 -10.144 1.00 0.00 C ATOM 118 CD LYS A 9 -2.201 5.403 -9.586 1.00 0.00 C ATOM 119 CE LYS A 9 -2.680 4.167 -10.330 1.00 0.00 C ATOM 120 NZ LYS A 9 -3.095 3.084 -9.397 1.00 0.00 N ATOM 0 HA LYS A 9 -2.888 9.292 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.065 6.833 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.192 8.192 -9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.578 6.405 -10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.072 7.266 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.116 5.475 -9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.445 5.309 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.519 4.433 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.884 3.802 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.457 2.270 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.049 3.433 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.069 2.792 -9.615 1.00 0.00 H new ATOM 134 N ALA A 10 -2.875 6.434 -6.639 1.00 0.00 N ATOM 135 CA ALA A 10 -2.788 5.756 -5.356 1.00 0.00 C ATOM 136 C ALA A 10 -1.365 5.293 -5.074 1.00 0.00 C ATOM 137 O ALA A 10 -0.996 4.161 -5.388 1.00 0.00 O ATOM 138 CB ALA A 10 -3.756 4.583 -5.301 1.00 0.00 C ATOM 0 H ALA A 10 -3.358 5.909 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.068 6.469 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.675 4.089 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.775 4.945 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.513 3.873 -6.092 1.00 0.00 H new ATOM 144 N ILE A 11 -0.566 6.178 -4.481 1.00 0.00 N ATOM 145 CA ILE A 11 0.818 5.858 -4.157 1.00 0.00 C ATOM 146 C ILE A 11 1.078 5.993 -2.659 1.00 0.00 C ATOM 147 O ILE A 11 0.869 7.056 -2.076 1.00 0.00 O ATOM 148 CB ILE A 11 1.803 6.761 -4.934 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.952 6.270 -6.374 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.163 6.800 -4.247 1.00 0.00 C ATOM 151 CD1 ILE A 11 0.812 6.686 -7.275 1.00 0.00 C ATOM 0 H ILE A 11 -0.855 7.120 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 11 0.983 4.822 -4.455 1.00 0.00 H new ATOM 0 HB ILE A 11 1.398 7.773 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.887 6.652 -6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.025 5.182 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.838 7.442 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.049 7.194 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.575 5.792 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.985 6.303 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.124 6.282 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.752 7.774 -7.307 1.00 0.00 H new ATOM 163 N PHE A 12 1.552 4.912 -2.053 1.00 0.00 N ATOM 164 CA PHE A 12 1.864 4.901 -0.630 1.00 0.00 C ATOM 165 C PHE A 12 3.349 4.620 -0.432 1.00 0.00 C ATOM 166 O PHE A 12 3.814 3.506 -0.670 1.00 0.00 O ATOM 167 CB PHE A 12 1.034 3.834 0.093 1.00 0.00 C ATOM 168 CG PHE A 12 -0.343 4.289 0.492 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.359 4.374 -0.448 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.623 4.624 1.806 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.629 4.782 -0.081 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.891 5.035 2.180 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.894 5.113 1.234 1.00 0.00 C ATOM 0 H PHE A 12 1.729 4.027 -2.528 1.00 0.00 H new ATOM 0 HA PHE A 12 1.620 5.877 -0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.943 2.961 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.572 3.515 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.157 4.119 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.158 4.564 2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.413 4.842 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.095 5.294 3.208 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.885 5.432 1.522 1.00 0.00 H new ATOM 183 N THR A 13 4.095 5.634 -0.003 1.00 0.00 N ATOM 184 CA THR A 13 5.527 5.481 0.213 1.00 0.00 C ATOM 185 C THR A 13 5.823 5.025 1.633 1.00 0.00 C ATOM 186 O THR A 13 5.426 5.673 2.599 1.00 0.00 O ATOM 187 CB THR A 13 6.289 6.788 -0.062 1.00 0.00 C ATOM 188 OG1 THR A 13 5.744 7.443 -1.212 1.00 0.00 O ATOM 189 CG2 THR A 13 7.768 6.507 -0.286 1.00 0.00 C ATOM 0 H THR A 13 3.732 6.565 0.201 1.00 0.00 H new ATOM 0 HA THR A 13 5.867 4.721 -0.491 1.00 0.00 H new ATOM 0 HB THR A 13 6.182 7.437 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.235 8.275 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.291 7.444 -0.479 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.187 6.034 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.887 5.842 -1.142 1.00 0.00 H new ATOM 197 N VAL A 14 6.513 3.893 1.749 1.00 0.00 N ATOM 198 CA VAL A 14 6.857 3.331 3.049 1.00 0.00 C ATOM 199 C VAL A 14 8.268 2.745 3.040 1.00 0.00 C ATOM 200 O VAL A 14 8.921 2.696 2.000 1.00 0.00 O ATOM 201 CB VAL A 14 5.851 2.234 3.471 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.469 2.535 2.923 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.306 0.857 3.009 1.00 0.00 C ATOM 0 H VAL A 14 6.845 3.347 0.954 1.00 0.00 H new ATOM 0 HA VAL A 14 6.814 4.147 3.770 1.00 0.00 H new ATOM 0 HB VAL A 14 5.807 2.231 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.777 1.751 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.126 3.495 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.510 2.575 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.577 0.109 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.392 0.848 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.275 0.626 3.452 1.00 0.00 H new ATOM 213 N ASP A 15 8.720 2.285 4.202 1.00 0.00 N ATOM 214 CA ASP A 15 10.041 1.677 4.332 1.00 0.00 C ATOM 215 C ASP A 15 9.925 0.162 4.171 1.00 0.00 C ATOM 216 O ASP A 15 8.865 -0.407 4.418 1.00 0.00 O ATOM 217 CB ASP A 15 10.651 2.030 5.693 1.00 0.00 C ATOM 218 CG ASP A 15 11.842 1.162 6.048 1.00 0.00 C ATOM 219 OD1 ASP A 15 12.707 0.950 5.174 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.912 0.699 7.207 1.00 0.00 O ATOM 0 H ASP A 15 8.188 2.322 5.072 1.00 0.00 H new ATOM 0 HA ASP A 15 10.696 2.065 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.959 3.076 5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.889 1.926 6.465 1.00 0.00 H new ATOM 225 N ALA A 16 10.995 -0.495 3.739 1.00 0.00 N ATOM 226 CA ALA A 16 10.951 -1.940 3.541 1.00 0.00 C ATOM 227 C ALA A 16 11.318 -2.703 4.804 1.00 0.00 C ATOM 228 O ALA A 16 10.950 -3.869 4.957 1.00 0.00 O ATOM 229 CB ALA A 16 11.853 -2.349 2.389 1.00 0.00 C ATOM 0 H ALA A 16 11.891 -0.059 3.522 1.00 0.00 H new ATOM 0 HA ALA A 16 9.922 -2.201 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.807 -3.430 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.521 -1.857 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.879 -2.054 2.608 1.00 0.00 H new ATOM 235 N LYS A 17 12.030 -2.053 5.712 1.00 0.00 N ATOM 236 CA LYS A 17 12.414 -2.703 6.955 1.00 0.00 C ATOM 237 C LYS A 17 11.187 -2.926 7.830 1.00 0.00 C ATOM 238 O LYS A 17 10.793 -4.064 8.090 1.00 0.00 O ATOM 239 CB LYS A 17 13.452 -1.861 7.704 1.00 0.00 C ATOM 240 CG LYS A 17 14.007 -2.541 8.947 1.00 0.00 C ATOM 241 CD LYS A 17 15.283 -1.867 9.425 1.00 0.00 C ATOM 242 CE LYS A 17 14.987 -0.745 10.409 1.00 0.00 C ATOM 243 NZ LYS A 17 15.769 -0.889 11.669 1.00 0.00 N ATOM 0 H LYS A 17 12.350 -1.089 5.614 1.00 0.00 H new ATOM 0 HA LYS A 17 12.859 -3.669 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.276 -1.630 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.999 -0.912 7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.261 -2.516 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.207 -3.590 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.930 -2.605 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.827 -1.467 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.218 0.214 9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.922 -0.738 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.538 -0.105 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.530 -1.793 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.786 -0.870 11.451 1.00 0.00 H new ATOM 257 N THR A 18 10.601 -1.830 8.299 1.00 0.00 N ATOM 258 CA THR A 18 9.433 -1.920 9.168 1.00 0.00 C ATOM 259 C THR A 18 8.154 -1.396 8.527 1.00 0.00 C ATOM 260 O THR A 18 7.084 -1.480 9.131 1.00 0.00 O ATOM 261 CB THR A 18 9.664 -1.197 10.509 1.00 0.00 C ATOM 262 OG1 THR A 18 8.567 -1.444 11.396 1.00 0.00 O ATOM 263 CG2 THR A 18 9.826 0.301 10.297 1.00 0.00 C ATOM 0 H THR A 18 10.911 -0.880 8.096 1.00 0.00 H new ATOM 0 HA THR A 18 9.297 -2.987 9.346 1.00 0.00 H new ATOM 0 HB THR A 18 10.581 -1.586 10.951 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.735 -1.495 10.881 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.988 0.789 11.258 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.681 0.486 9.647 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.925 0.702 9.833 1.00 0.00 H new ATOM 271 N THR A 19 8.274 -0.843 7.328 1.00 0.00 N ATOM 272 CA THR A 19 7.130 -0.279 6.605 1.00 0.00 C ATOM 273 C THR A 19 6.864 1.157 7.054 1.00 0.00 C ATOM 274 O THR A 19 7.685 2.040 6.812 1.00 0.00 O ATOM 275 CB THR A 19 5.847 -1.129 6.760 1.00 0.00 C ATOM 276 OG1 THR A 19 6.178 -2.523 6.773 1.00 0.00 O ATOM 277 CG2 THR A 19 4.872 -0.848 5.627 1.00 0.00 C ATOM 0 H THR A 19 9.159 -0.770 6.827 1.00 0.00 H new ATOM 0 HA THR A 19 7.396 -0.286 5.548 1.00 0.00 H new ATOM 0 HB THR A 19 5.373 -0.860 7.704 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.360 -3.053 6.873 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.978 -1.457 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.597 0.207 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.341 -1.092 4.674 1.00 0.00 H new ATOM 285 N GLU A 20 5.726 1.391 7.707 1.00 0.00 N ATOM 286 CA GLU A 20 5.380 2.732 8.174 1.00 0.00 C ATOM 287 C GLU A 20 5.337 3.709 7.003 1.00 0.00 C ATOM 288 O GLU A 20 6.372 4.211 6.562 1.00 0.00 O ATOM 289 CB GLU A 20 6.387 3.211 9.222 1.00 0.00 C ATOM 290 CG GLU A 20 5.744 3.877 10.425 1.00 0.00 C ATOM 291 CD GLU A 20 6.108 3.199 11.733 1.00 0.00 C ATOM 292 OE1 GLU A 20 5.455 2.192 12.080 1.00 0.00 O ATOM 293 OE2 GLU A 20 7.042 3.677 12.409 1.00 0.00 O ATOM 0 H GLU A 20 5.033 0.675 7.923 1.00 0.00 H new ATOM 0 HA GLU A 20 4.392 2.691 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.978 2.360 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.078 3.913 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.051 4.922 10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.661 3.868 10.305 1.00 0.00 H new ATOM 300 N ILE A 21 4.136 3.966 6.496 1.00 0.00 N ATOM 301 CA ILE A 21 3.958 4.870 5.364 1.00 0.00 C ATOM 302 C ILE A 21 4.573 6.238 5.639 1.00 0.00 C ATOM 303 O ILE A 21 4.011 7.047 6.376 1.00 0.00 O ATOM 304 CB ILE A 21 2.471 5.052 4.993 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.640 3.847 5.442 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.330 5.256 3.493 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.383 4.226 6.194 1.00 0.00 C ATOM 0 H ILE A 21 3.270 3.561 6.851 1.00 0.00 H new ATOM 0 HA ILE A 21 4.473 4.405 4.523 1.00 0.00 H new ATOM 0 HB ILE A 21 2.096 5.934 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.366 3.258 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.255 3.208 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.277 5.384 3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.885 6.145 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.726 4.386 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.156 3.323 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.650 4.789 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.252 4.840 5.555 1.00 0.00 H new ATOM 319 N LEU A 22 5.730 6.486 5.033 1.00 0.00 N ATOM 320 CA LEU A 22 6.433 7.752 5.198 1.00 0.00 C ATOM 321 C LEU A 22 5.531 8.926 4.821 1.00 0.00 C ATOM 322 O LEU A 22 5.548 9.965 5.480 1.00 0.00 O ATOM 323 CB LEU A 22 7.708 7.776 4.346 1.00 0.00 C ATOM 324 CG LEU A 22 8.361 6.412 4.096 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.566 6.557 3.178 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.770 5.764 5.411 1.00 0.00 C ATOM 0 H LEU A 22 6.202 5.822 4.420 1.00 0.00 H new ATOM 0 HA LEU A 22 6.710 7.849 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.472 8.228 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.437 8.424 4.832 1.00 0.00 H new ATOM 0 HG LEU A 22 7.630 5.768 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.017 5.579 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.248 6.977 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.298 7.220 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.232 4.797 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.483 6.407 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.889 5.624 6.037 1.00 0.00 H new ATOM 338 N VAL A 23 4.740 8.747 3.762 1.00 0.00 N ATOM 339 CA VAL A 23 3.826 9.788 3.302 1.00 0.00 C ATOM 340 C VAL A 23 2.997 9.312 2.107 1.00 0.00 C ATOM 341 O VAL A 23 3.356 8.342 1.437 1.00 0.00 O ATOM 342 CB VAL A 23 4.585 11.084 2.923 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.718 11.239 1.412 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.897 12.298 3.529 1.00 0.00 C ATOM 0 H VAL A 23 4.715 7.891 3.208 1.00 0.00 H new ATOM 0 HA VAL A 23 3.155 10.007 4.132 1.00 0.00 H new ATOM 0 HB VAL A 23 5.592 11.010 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.256 12.160 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.267 10.389 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.726 11.279 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.442 13.201 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.876 12.362 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.879 12.202 4.615 1.00 0.00 H new ATOM 354 N ALA A 24 1.896 10.008 1.843 1.00 0.00 N ATOM 355 CA ALA A 24 1.020 9.671 0.726 1.00 0.00 C ATOM 356 C ALA A 24 0.504 10.937 0.050 1.00 0.00 C ATOM 357 O ALA A 24 0.560 12.023 0.629 1.00 0.00 O ATOM 358 CB ALA A 24 -0.135 8.807 1.192 1.00 0.00 C ATOM 0 H ALA A 24 1.588 10.812 2.390 1.00 0.00 H new ATOM 0 HA ALA A 24 1.598 9.103 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.776 8.567 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.252 7.885 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.713 9.346 1.942 1.00 0.00 H new ATOM 364 N ASN A 25 0.028 10.801 -1.185 1.00 0.00 N ATOM 365 CA ASN A 25 -0.458 11.954 -1.933 1.00 0.00 C ATOM 366 C ASN A 25 -1.976 12.121 -1.854 1.00 0.00 C ATOM 367 O ASN A 25 -2.688 11.294 -1.285 1.00 0.00 O ATOM 368 CB ASN A 25 -0.016 11.866 -3.397 1.00 0.00 C ATOM 369 CG ASN A 25 -0.539 10.626 -4.103 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.532 9.524 -3.549 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.994 10.800 -5.339 1.00 0.00 N ATOM 0 H ASN A 25 -0.031 9.913 -1.684 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.016 12.835 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.361 12.753 -3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.073 11.871 -3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.355 10.005 -5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.982 11.729 -5.761 1.00 0.00 H new ATOM 378 N ASP A 26 -2.441 13.227 -2.430 1.00 0.00 N ATOM 379 CA ASP A 26 -3.860 13.582 -2.453 1.00 0.00 C ATOM 380 C ASP A 26 -4.666 12.653 -3.350 1.00 0.00 C ATOM 381 O ASP A 26 -5.894 12.729 -3.386 1.00 0.00 O ATOM 382 CB ASP A 26 -4.038 15.031 -2.907 1.00 0.00 C ATOM 383 CG ASP A 26 -5.426 15.564 -2.616 1.00 0.00 C ATOM 384 OD1 ASP A 26 -6.005 15.179 -1.578 1.00 0.00 O ATOM 385 OD2 ASP A 26 -5.936 16.366 -3.427 1.00 0.00 O ATOM 0 H ASP A 26 -1.841 13.907 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.238 13.471 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.299 15.658 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.843 15.100 -3.977 1.00 0.00 H new ATOM 390 N LYS A 27 -3.985 11.757 -4.050 1.00 0.00 N ATOM 391 CA LYS A 27 -4.664 10.803 -4.909 1.00 0.00 C ATOM 392 C LYS A 27 -4.898 9.517 -4.133 1.00 0.00 C ATOM 393 O LYS A 27 -6.039 9.103 -3.926 1.00 0.00 O ATOM 394 CB LYS A 27 -3.849 10.531 -6.171 1.00 0.00 C ATOM 395 CG LYS A 27 -3.619 11.770 -7.023 1.00 0.00 C ATOM 396 CD LYS A 27 -4.670 11.899 -8.114 1.00 0.00 C ATOM 397 CE LYS A 27 -5.943 12.542 -7.591 1.00 0.00 C ATOM 398 NZ LYS A 27 -6.010 13.992 -7.917 1.00 0.00 N ATOM 0 H LYS A 27 -2.969 11.672 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.622 11.218 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.884 10.110 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.361 9.778 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.639 12.657 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.628 11.723 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.272 12.495 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.899 10.913 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.808 12.034 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.998 12.411 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.894 14.392 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.199 14.482 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.984 14.117 -8.949 1.00 0.00 H new ATOM 412 N ALA A 28 -3.806 8.905 -3.677 1.00 0.00 N ATOM 413 CA ALA A 28 -3.887 7.684 -2.885 1.00 0.00 C ATOM 414 C ALA A 28 -4.848 7.883 -1.726 1.00 0.00 C ATOM 415 O ALA A 28 -5.688 7.032 -1.438 1.00 0.00 O ATOM 416 CB ALA A 28 -2.511 7.302 -2.364 1.00 0.00 C ATOM 0 H ALA A 28 -2.856 9.237 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.256 6.877 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.586 6.388 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.837 7.137 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.122 8.106 -1.739 1.00 0.00 H new ATOM 422 N CYS A 29 -4.718 9.032 -1.078 1.00 0.00 N ATOM 423 CA CYS A 29 -5.574 9.382 0.042 1.00 0.00 C ATOM 424 C CYS A 29 -7.026 9.396 -0.406 1.00 0.00 C ATOM 425 O CYS A 29 -7.917 8.945 0.314 1.00 0.00 O ATOM 426 CB CYS A 29 -5.169 10.747 0.595 1.00 0.00 C ATOM 427 SG CYS A 29 -6.238 12.112 0.081 1.00 0.00 S ATOM 0 H CYS A 29 -4.023 9.740 -1.312 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.461 8.639 0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.164 10.697 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.148 10.964 0.281 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.887 12.566 1.111 1.00 0.00 H new ATOM 433 N GLY A 30 -7.249 9.900 -1.615 1.00 0.00 N ATOM 434 CA GLY A 30 -8.592 9.947 -2.161 1.00 0.00 C ATOM 435 C GLY A 30 -9.162 8.553 -2.306 1.00 0.00 C ATOM 436 O GLY A 30 -10.342 8.319 -2.038 1.00 0.00 O ATOM 0 H GLY A 30 -6.524 10.276 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.233 10.541 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.578 10.442 -3.132 1.00 0.00 H new ATOM 440 N LEU A 31 -8.303 7.627 -2.723 1.00 0.00 N ATOM 441 CA LEU A 31 -8.687 6.233 -2.898 1.00 0.00 C ATOM 442 C LEU A 31 -9.428 5.737 -1.652 1.00 0.00 C ATOM 443 O LEU A 31 -10.569 5.281 -1.744 1.00 0.00 O ATOM 444 CB LEU A 31 -7.435 5.389 -3.184 1.00 0.00 C ATOM 445 CG LEU A 31 -7.631 3.872 -3.324 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.272 3.183 -2.018 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.050 3.519 -3.753 1.00 0.00 C ATOM 0 H LEU A 31 -7.327 7.822 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.363 6.137 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.981 5.758 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.718 5.565 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.965 3.517 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.413 2.107 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.231 3.390 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.915 3.557 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.145 2.437 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.757 3.887 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.264 3.981 -4.717 1.00 0.00 H new ATOM 459 N LEU A 32 -8.788 5.851 -0.490 1.00 0.00 N ATOM 460 CA LEU A 32 -9.431 5.428 0.757 1.00 0.00 C ATOM 461 C LEU A 32 -10.145 6.599 1.428 1.00 0.00 C ATOM 462 O LEU A 32 -11.374 6.677 1.420 1.00 0.00 O ATOM 463 CB LEU A 32 -8.447 4.797 1.748 1.00 0.00 C ATOM 464 CG LEU A 32 -6.964 4.843 1.379 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.427 6.263 1.471 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.191 3.916 2.303 1.00 0.00 C ATOM 0 H LEU A 32 -7.845 6.224 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.158 4.665 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.572 5.292 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.729 3.753 1.887 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.841 4.510 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.370 6.270 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.979 6.906 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.546 6.632 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.132 3.945 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.321 4.240 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.564 2.898 2.192 1.00 0.00 H new ATOM 478 N GLY A 33 -9.365 7.504 2.013 1.00 0.00 N ATOM 479 CA GLY A 33 -9.933 8.657 2.687 1.00 0.00 C ATOM 480 C GLY A 33 -8.970 9.259 3.693 1.00 0.00 C ATOM 481 O GLY A 33 -9.381 9.948 4.626 1.00 0.00 O ATOM 0 H GLY A 33 -8.346 7.458 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.204 9.411 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.852 8.364 3.195 1.00 0.00 H new ATOM 485 N TYR A 34 -7.685 8.988 3.498 1.00 0.00 N ATOM 486 CA TYR A 34 -6.641 9.495 4.385 1.00 0.00 C ATOM 487 C TYR A 34 -5.925 10.682 3.746 1.00 0.00 C ATOM 488 O TYR A 34 -6.543 11.486 3.049 1.00 0.00 O ATOM 489 CB TYR A 34 -5.632 8.382 4.685 1.00 0.00 C ATOM 490 CG TYR A 34 -6.139 7.317 5.628 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.149 6.443 5.245 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.599 7.179 6.899 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.607 5.463 6.104 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.052 6.202 7.765 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.056 5.347 7.363 1.00 0.00 C ATOM 496 OH TYR A 34 -7.506 4.372 8.222 1.00 0.00 O ATOM 0 H TYR A 34 -7.338 8.416 2.728 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.104 9.826 5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.340 7.910 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.733 8.828 5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.583 6.531 4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.812 7.846 7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.393 4.791 5.791 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.622 6.109 8.751 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.982 3.554 8.092 1.00 0.00 H new ATOM 506 N SER A 35 -4.611 10.768 3.975 1.00 0.00 N ATOM 507 CA SER A 35 -3.778 11.829 3.414 1.00 0.00 C ATOM 508 C SER A 35 -2.360 11.734 3.957 1.00 0.00 C ATOM 509 O SER A 35 -2.092 10.968 4.880 1.00 0.00 O ATOM 510 CB SER A 35 -4.348 13.213 3.696 1.00 0.00 C ATOM 511 OG SER A 35 -4.382 13.488 5.085 1.00 0.00 O ATOM 0 H SER A 35 -4.098 10.103 4.554 1.00 0.00 H new ATOM 0 HA SER A 35 -3.764 11.689 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.744 13.966 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.355 13.283 3.286 1.00 0.00 H new ATOM 0 HG SER A 35 -4.751 14.384 5.232 1.00 0.00 H new ATOM 517 N SER A 36 -1.457 12.509 3.372 1.00 0.00 N ATOM 518 CA SER A 36 -0.059 12.514 3.785 1.00 0.00 C ATOM 519 C SER A 36 0.088 12.537 5.306 1.00 0.00 C ATOM 520 O SER A 36 0.981 11.898 5.857 1.00 0.00 O ATOM 521 CB SER A 36 0.666 13.717 3.179 1.00 0.00 C ATOM 522 OG SER A 36 -0.241 14.769 2.898 1.00 0.00 O ATOM 0 H SER A 36 -1.669 13.147 2.605 1.00 0.00 H new ATOM 0 HA SER A 36 0.391 11.591 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.434 14.068 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.174 13.416 2.263 1.00 0.00 H new ATOM 0 HG SER A 36 0.246 15.527 2.513 1.00 0.00 H new ATOM 528 N GLN A 37 -0.777 13.291 5.977 1.00 0.00 N ATOM 529 CA GLN A 37 -0.723 13.407 7.434 1.00 0.00 C ATOM 530 C GLN A 37 -1.753 12.516 8.133 1.00 0.00 C ATOM 531 O GLN A 37 -1.629 12.235 9.325 1.00 0.00 O ATOM 532 CB GLN A 37 -0.937 14.863 7.852 1.00 0.00 C ATOM 533 CG GLN A 37 -2.270 15.438 7.401 1.00 0.00 C ATOM 534 CD GLN A 37 -2.139 16.833 6.824 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.372 17.048 5.633 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.760 17.789 7.664 1.00 0.00 N ATOM 0 H GLN A 37 -1.523 13.831 5.538 1.00 0.00 H new ATOM 0 HA GLN A 37 0.266 13.069 7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.869 14.934 8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.131 15.472 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.711 14.779 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.956 15.462 8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.578 17.565 8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.651 18.747 7.331 1.00 0.00 H new ATOM 545 N ASP A 38 -2.782 12.099 7.402 1.00 0.00 N ATOM 546 CA ASP A 38 -3.843 11.272 7.978 1.00 0.00 C ATOM 547 C ASP A 38 -3.473 9.790 8.030 1.00 0.00 C ATOM 548 O ASP A 38 -4.065 9.030 8.796 1.00 0.00 O ATOM 549 CB ASP A 38 -5.136 11.445 7.182 1.00 0.00 C ATOM 550 CG ASP A 38 -6.202 12.188 7.963 1.00 0.00 C ATOM 551 OD1 ASP A 38 -6.804 11.580 8.874 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.438 13.378 7.665 1.00 0.00 O ATOM 0 H ASP A 38 -2.906 12.318 6.413 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.984 11.612 9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.922 11.986 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.517 10.465 6.895 1.00 0.00 H new ATOM 557 N LEU A 39 -2.514 9.372 7.210 1.00 0.00 N ATOM 558 CA LEU A 39 -2.115 7.967 7.179 1.00 0.00 C ATOM 559 C LEU A 39 -0.659 7.775 7.600 1.00 0.00 C ATOM 560 O LEU A 39 -0.238 6.657 7.899 1.00 0.00 O ATOM 561 CB LEU A 39 -2.342 7.391 5.779 1.00 0.00 C ATOM 562 CG LEU A 39 -1.593 8.100 4.656 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.309 7.358 4.318 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.481 8.225 3.429 1.00 0.00 C ATOM 0 H LEU A 39 -2.004 9.976 6.566 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.734 7.431 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.049 6.341 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.409 7.423 5.559 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.327 9.102 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.212 7.879 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.331 7.318 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.548 6.344 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.934 8.733 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.775 7.232 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.372 8.800 3.682 1.00 0.00 H new ATOM 576 N ILE A 40 0.107 8.861 7.629 1.00 0.00 N ATOM 577 CA ILE A 40 1.511 8.786 8.023 1.00 0.00 C ATOM 578 C ILE A 40 1.650 8.286 9.458 1.00 0.00 C ATOM 579 O ILE A 40 0.855 8.639 10.329 1.00 0.00 O ATOM 580 CB ILE A 40 2.209 10.155 7.884 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.728 10.010 8.088 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.608 11.167 8.854 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.188 10.189 9.522 1.00 0.00 C ATOM 0 H ILE A 40 -0.217 9.797 7.386 1.00 0.00 H new ATOM 0 HA ILE A 40 1.995 8.078 7.350 1.00 0.00 H new ATOM 0 HB ILE A 40 2.044 10.529 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.036 9.024 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.238 10.742 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.114 12.125 8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.546 11.290 8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.733 10.810 9.876 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.270 10.071 9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.915 11.185 9.870 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.710 9.440 10.154 1.00 0.00 H new ATOM 595 N GLY A 41 2.664 7.460 9.697 1.00 0.00 N ATOM 596 CA GLY A 41 2.890 6.922 11.025 1.00 0.00 C ATOM 597 C GLY A 41 2.494 5.463 11.136 1.00 0.00 C ATOM 598 O GLY A 41 3.145 4.686 11.833 1.00 0.00 O ATOM 0 H GLY A 41 3.334 7.153 8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.944 7.030 11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.323 7.505 11.751 1.00 0.00 H new ATOM 602 N GLN A 42 1.425 5.091 10.440 1.00 0.00 N ATOM 603 CA GLN A 42 0.945 3.713 10.457 1.00 0.00 C ATOM 604 C GLN A 42 1.440 2.960 9.226 1.00 0.00 C ATOM 605 O GLN A 42 2.326 3.433 8.516 1.00 0.00 O ATOM 606 CB GLN A 42 -0.586 3.678 10.511 1.00 0.00 C ATOM 607 CG GLN A 42 -1.207 4.915 11.139 1.00 0.00 C ATOM 608 CD GLN A 42 -2.691 5.033 10.850 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.037 5.839 9.852 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -3.516 4.405 11.511 1.00 0.00 N flip ATOM 0 H GLN A 42 0.875 5.723 9.858 1.00 0.00 H new ATOM 0 HA GLN A 42 1.339 3.226 11.349 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.973 3.563 9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.900 2.799 11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.052 4.887 12.218 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.696 5.803 10.766 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.206 3.797 12.269 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.510 4.492 11.301 1.00 0.00 H new ATOM 619 N LYS A 43 0.857 1.794 8.976 1.00 0.00 N ATOM 620 CA LYS A 43 1.235 0.982 7.824 1.00 0.00 C ATOM 621 C LYS A 43 0.063 0.853 6.859 1.00 0.00 C ATOM 622 O LYS A 43 -1.060 0.587 7.279 1.00 0.00 O ATOM 623 CB LYS A 43 1.698 -0.403 8.280 1.00 0.00 C ATOM 624 CG LYS A 43 2.792 -0.362 9.336 1.00 0.00 C ATOM 625 CD LYS A 43 2.315 -0.949 10.654 1.00 0.00 C ATOM 626 CE LYS A 43 3.483 -1.325 11.552 1.00 0.00 C ATOM 627 NZ LYS A 43 3.038 -1.653 12.936 1.00 0.00 N ATOM 0 H LYS A 43 0.121 1.389 9.555 1.00 0.00 H new ATOM 0 HA LYS A 43 2.059 1.474 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.843 -0.951 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.060 -0.959 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.661 -0.917 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.112 0.668 9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.679 -0.227 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.705 -1.831 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.007 -2.181 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.195 -0.500 11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.864 -1.904 13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.561 -0.828 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.378 -2.456 12.907 1.00 0.00 H new ATOM 641 N LEU A 44 0.328 1.076 5.573 1.00 0.00 N ATOM 642 CA LEU A 44 -0.712 1.013 4.547 1.00 0.00 C ATOM 643 C LEU A 44 -1.629 -0.196 4.726 1.00 0.00 C ATOM 644 O LEU A 44 -2.841 -0.086 4.568 1.00 0.00 O ATOM 645 CB LEU A 44 -0.098 0.986 3.141 1.00 0.00 C ATOM 646 CG LEU A 44 1.339 0.460 3.040 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.382 -1.049 3.224 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.943 0.843 1.699 1.00 0.00 C ATOM 0 H LEU A 44 1.256 1.302 5.216 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.314 1.915 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.733 0.373 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.122 1.998 2.737 1.00 0.00 H new ATOM 0 HG LEU A 44 1.926 0.916 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.413 -1.396 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.984 -1.307 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.780 -1.527 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.963 0.464 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.347 0.411 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.952 1.929 1.601 1.00 0.00 H new ATOM 660 N THR A 45 -1.042 -1.345 5.037 1.00 0.00 N ATOM 661 CA THR A 45 -1.796 -2.587 5.211 1.00 0.00 C ATOM 662 C THR A 45 -2.950 -2.446 6.198 1.00 0.00 C ATOM 663 O THR A 45 -3.877 -3.254 6.190 1.00 0.00 O ATOM 664 CB THR A 45 -0.878 -3.724 5.671 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.328 -3.428 6.960 1.00 0.00 O ATOM 666 CG2 THR A 45 0.239 -3.916 4.668 1.00 0.00 C ATOM 0 H THR A 45 -0.036 -1.446 5.176 1.00 0.00 H new ATOM 0 HA THR A 45 -2.218 -2.822 4.234 1.00 0.00 H new ATOM 0 HB THR A 45 -1.462 -4.642 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.611 -3.708 6.987 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.890 -4.725 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.185 -4.165 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.817 -2.996 4.587 1.00 0.00 H new ATOM 674 N GLN A 46 -2.904 -1.416 7.030 1.00 0.00 N ATOM 675 CA GLN A 46 -3.963 -1.184 8.000 1.00 0.00 C ATOM 676 C GLN A 46 -5.259 -0.875 7.269 1.00 0.00 C ATOM 677 O GLN A 46 -6.354 -1.074 7.796 1.00 0.00 O ATOM 678 CB GLN A 46 -3.595 -0.031 8.936 1.00 0.00 C ATOM 679 CG GLN A 46 -3.534 -0.435 10.400 1.00 0.00 C ATOM 680 CD GLN A 46 -2.113 -0.507 10.926 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.447 0.640 10.995 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -1.619 -1.583 11.266 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.149 -0.731 7.053 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.093 -2.082 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.628 0.374 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.325 0.770 8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.102 0.281 10.995 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.014 -1.406 10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.167 -2.440 11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.662 -1.616 11.617 1.00 0.00 H new ATOM 691 N PHE A 47 -5.119 -0.364 6.055 1.00 0.00 N ATOM 692 CA PHE A 47 -6.270 -0.001 5.240 1.00 0.00 C ATOM 693 C PHE A 47 -6.432 -0.957 4.064 1.00 0.00 C ATOM 694 O PHE A 47 -6.933 -0.571 3.009 1.00 0.00 O ATOM 695 CB PHE A 47 -6.130 1.438 4.733 1.00 0.00 C ATOM 696 CG PHE A 47 -5.094 2.251 5.464 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.216 2.494 6.825 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.999 2.769 4.792 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.265 3.238 7.497 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.045 3.515 5.460 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.178 3.748 6.814 1.00 0.00 C ATOM 0 H PHE A 47 -4.217 -0.191 5.611 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.161 -0.073 5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.876 1.415 3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.095 1.937 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.063 2.097 7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.889 2.588 3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.372 3.421 8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.197 3.915 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.433 4.328 7.339 1.00 0.00 H new ATOM 711 N PHE A 48 -6.016 -2.210 4.253 1.00 0.00 N ATOM 712 CA PHE A 48 -6.127 -3.222 3.204 1.00 0.00 C ATOM 713 C PHE A 48 -6.425 -4.596 3.798 1.00 0.00 C ATOM 714 O PHE A 48 -5.875 -4.967 4.835 1.00 0.00 O ATOM 715 CB PHE A 48 -4.844 -3.285 2.365 1.00 0.00 C ATOM 716 CG PHE A 48 -4.452 -1.968 1.754 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.280 -1.337 0.842 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.260 -1.361 2.099 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.926 -0.124 0.286 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.898 -0.148 1.546 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.732 0.471 0.639 1.00 0.00 C ATOM 0 H PHE A 48 -5.600 -2.547 5.121 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.956 -2.934 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.027 -3.641 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.977 -4.018 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.215 -1.799 0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.603 -1.841 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.582 0.358 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.963 0.315 1.824 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.451 1.420 0.206 1.00 0.00 H new ATOM 731 N LEU A 49 -7.298 -5.337 3.111 1.00 0.00 N ATOM 732 CA LEU A 49 -7.717 -6.690 3.499 1.00 0.00 C ATOM 733 C LEU A 49 -7.388 -7.043 4.952 1.00 0.00 C ATOM 734 O LEU A 49 -6.339 -7.615 5.240 1.00 0.00 O ATOM 735 CB LEU A 49 -7.111 -7.751 2.558 1.00 0.00 C ATOM 736 CG LEU A 49 -5.748 -7.426 1.920 1.00 0.00 C ATOM 737 CD1 LEU A 49 -5.863 -6.267 0.942 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.695 -7.132 2.983 1.00 0.00 C ATOM 0 H LEU A 49 -7.743 -5.009 2.254 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.803 -6.693 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.009 -8.681 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.824 -7.938 1.755 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.428 -8.308 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.885 -6.060 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.565 -6.528 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.221 -5.382 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.744 -6.906 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.010 -6.277 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.577 -8.002 3.629 1.00 0.00 H new ATOM 750 N ARG A 50 -8.313 -6.726 5.856 1.00 0.00 N ATOM 751 CA ARG A 50 -8.150 -7.029 7.278 1.00 0.00 C ATOM 752 C ARG A 50 -6.875 -6.415 7.854 1.00 0.00 C ATOM 753 O ARG A 50 -5.763 -6.822 7.518 1.00 0.00 O ATOM 754 CB ARG A 50 -8.141 -8.543 7.500 1.00 0.00 C ATOM 755 CG ARG A 50 -8.654 -8.959 8.868 1.00 0.00 C ATOM 756 CD ARG A 50 -7.861 -10.127 9.428 1.00 0.00 C ATOM 757 NE ARG A 50 -8.424 -10.621 10.680 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.899 -11.853 10.843 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.880 -12.712 9.833 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.397 -12.225 12.014 1.00 0.00 N ATOM 0 H ARG A 50 -9.189 -6.256 5.627 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.998 -6.587 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.751 -9.018 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.124 -8.914 7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.592 -8.114 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.706 -9.234 8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.840 -10.935 8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.828 -9.819 9.592 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.455 -9.985 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.501 -12.429 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.245 -13.656 9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.417 -11.566 12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.761 -13.170 12.137 1.00 0.00 H new ATOM 774 N SER A 51 -7.049 -5.434 8.733 1.00 0.00 N ATOM 775 CA SER A 51 -5.921 -4.760 9.367 1.00 0.00 C ATOM 776 C SER A 51 -5.490 -5.457 10.654 1.00 0.00 C ATOM 777 O SER A 51 -4.518 -5.046 11.289 1.00 0.00 O ATOM 778 CB SER A 51 -6.281 -3.308 9.672 1.00 0.00 C ATOM 779 OG SER A 51 -7.635 -3.191 10.076 1.00 0.00 O ATOM 0 H SER A 51 -7.963 -5.087 9.023 1.00 0.00 H new ATOM 0 HA SER A 51 -5.086 -4.797 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.630 -2.926 10.458 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.108 -2.694 8.788 1.00 0.00 H new ATOM 0 HG SER A 51 -7.839 -2.252 10.267 1.00 0.00 H new ATOM 785 N ASP A 52 -6.226 -6.486 11.056 1.00 0.00 N ATOM 786 CA ASP A 52 -5.916 -7.197 12.294 1.00 0.00 C ATOM 787 C ASP A 52 -4.736 -8.159 12.143 1.00 0.00 C ATOM 788 O ASP A 52 -3.656 -7.912 12.679 1.00 0.00 O ATOM 789 CB ASP A 52 -7.147 -7.965 12.780 1.00 0.00 C ATOM 790 CG ASP A 52 -7.536 -7.592 14.197 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.958 -6.436 14.412 1.00 0.00 O ATOM 792 OD2 ASP A 52 -7.421 -8.456 15.092 1.00 0.00 O ATOM 0 H ASP A 52 -7.035 -6.846 10.549 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.629 -6.444 13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.984 -7.765 12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.948 -9.035 12.730 1.00 0.00 H new ATOM 797 N SER A 53 -4.952 -9.266 11.439 1.00 0.00 N ATOM 798 CA SER A 53 -3.904 -10.271 11.256 1.00 0.00 C ATOM 799 C SER A 53 -3.116 -10.077 9.964 1.00 0.00 C ATOM 800 O SER A 53 -1.888 -10.159 9.960 1.00 0.00 O ATOM 801 CB SER A 53 -4.513 -11.674 11.282 1.00 0.00 C ATOM 802 OG SER A 53 -5.461 -11.840 10.243 1.00 0.00 O ATOM 0 H SER A 53 -5.838 -9.492 10.987 1.00 0.00 H new ATOM 0 HA SER A 53 -3.203 -10.150 12.082 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.723 -12.418 11.180 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.992 -11.848 12.246 1.00 0.00 H new ATOM 0 HG SER A 53 -5.833 -12.746 10.282 1.00 0.00 H new ATOM 808 N ASP A 54 -3.827 -9.859 8.862 1.00 0.00 N ATOM 809 CA ASP A 54 -3.195 -9.695 7.553 1.00 0.00 C ATOM 810 C ASP A 54 -2.116 -8.616 7.549 1.00 0.00 C ATOM 811 O ASP A 54 -1.314 -8.543 6.618 1.00 0.00 O ATOM 812 CB ASP A 54 -4.251 -9.379 6.492 1.00 0.00 C ATOM 813 CG ASP A 54 -5.176 -10.551 6.230 1.00 0.00 C ATOM 814 OD1 ASP A 54 -5.811 -11.034 7.192 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.268 -10.984 5.062 1.00 0.00 O ATOM 0 H ASP A 54 -4.845 -9.791 8.848 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.705 -10.640 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.840 -8.520 6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.756 -9.096 5.563 1.00 0.00 H new ATOM 820 N VAL A 55 -2.090 -7.782 8.581 1.00 0.00 N ATOM 821 CA VAL A 55 -1.095 -6.718 8.667 1.00 0.00 C ATOM 822 C VAL A 55 0.181 -7.213 9.342 1.00 0.00 C ATOM 823 O VAL A 55 1.277 -6.744 9.037 1.00 0.00 O ATOM 824 CB VAL A 55 -1.650 -5.500 9.433 1.00 0.00 C ATOM 825 CG1 VAL A 55 -0.533 -4.555 9.854 1.00 0.00 C ATOM 826 CG2 VAL A 55 -2.674 -4.772 8.579 1.00 0.00 C ATOM 0 H VAL A 55 -2.741 -7.820 9.365 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.857 -6.413 7.648 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.136 -5.859 10.340 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.957 -3.707 10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.165 -5.083 10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.006 -4.197 8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.061 -3.913 9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.203 -4.431 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.494 -5.448 8.339 1.00 0.00 H new ATOM 836 N VAL A 56 0.033 -8.160 10.257 1.00 0.00 N ATOM 837 CA VAL A 56 1.174 -8.711 10.975 1.00 0.00 C ATOM 838 C VAL A 56 1.934 -9.727 10.124 1.00 0.00 C ATOM 839 O VAL A 56 3.128 -9.952 10.328 1.00 0.00 O ATOM 840 CB VAL A 56 0.727 -9.377 12.294 1.00 0.00 C ATOM 841 CG1 VAL A 56 0.337 -10.832 12.076 1.00 0.00 C ATOM 842 CG2 VAL A 56 1.821 -9.264 13.346 1.00 0.00 C ATOM 0 H VAL A 56 -0.866 -8.563 10.520 1.00 0.00 H new ATOM 0 HA VAL A 56 1.841 -7.879 11.202 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.156 -8.848 12.654 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.027 -11.272 13.024 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.487 -10.885 11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.191 -11.383 11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.489 -9.739 14.269 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.723 -9.760 12.987 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.036 -8.212 13.536 1.00 0.00 H new ATOM 852 N GLU A 57 1.236 -10.349 9.178 1.00 0.00 N ATOM 853 CA GLU A 57 1.846 -11.351 8.310 1.00 0.00 C ATOM 854 C GLU A 57 2.424 -10.734 7.038 1.00 0.00 C ATOM 855 O GLU A 57 3.533 -11.071 6.623 1.00 0.00 O ATOM 856 CB GLU A 57 0.825 -12.428 7.942 1.00 0.00 C ATOM 857 CG GLU A 57 -0.572 -11.891 7.686 1.00 0.00 C ATOM 858 CD GLU A 57 -1.642 -12.948 7.873 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.435 -14.090 7.412 1.00 0.00 O ATOM 860 OE2 GLU A 57 -2.686 -12.636 8.483 1.00 0.00 O ATOM 0 H GLU A 57 0.248 -10.177 8.993 1.00 0.00 H new ATOM 0 HA GLU A 57 2.669 -11.800 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.171 -12.953 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.780 -13.162 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.767 -11.058 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.627 -11.498 6.671 1.00 0.00 H new ATOM 867 N ALA A 58 1.658 -9.848 6.411 1.00 0.00 N ATOM 868 CA ALA A 58 2.084 -9.203 5.174 1.00 0.00 C ATOM 869 C ALA A 58 3.360 -8.390 5.366 1.00 0.00 C ATOM 870 O ALA A 58 4.197 -8.317 4.466 1.00 0.00 O ATOM 871 CB ALA A 58 0.970 -8.324 4.630 1.00 0.00 C ATOM 0 H ALA A 58 0.737 -9.559 6.740 1.00 0.00 H new ATOM 0 HA ALA A 58 2.305 -9.988 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.300 -7.848 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.090 -8.935 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.720 -7.558 5.364 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.778 -9.703 -0.047 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.530 -8.298 -0.358 1.00 0.00 C ATOM 1088 C PHE A 74 0.499 -8.188 -1.479 1.00 0.00 C ATOM 1089 O PHE A 74 1.292 -9.105 -1.696 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.064 -7.527 0.884 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.407 -6.058 0.844 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.682 -5.636 0.484 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.547 -5.098 1.158 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.994 -4.290 0.439 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.236 -3.753 1.112 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.033 -3.350 0.752 1.00 0.00 C ATOM 0 HA PHE A 74 -1.466 -7.849 -0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.516 -7.974 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.016 -7.637 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.437 -6.368 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.542 -5.407 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.988 -3.974 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.987 -3.017 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.275 -2.298 0.715 1.00 0.00 H new ATOM 1106 N GLY A 75 0.470 -7.075 -2.205 1.00 0.00 N ATOM 1107 CA GLY A 75 1.392 -6.890 -3.311 1.00 0.00 C ATOM 1108 C GLY A 75 0.848 -7.505 -4.585 1.00 0.00 C ATOM 1109 O GLY A 75 1.580 -7.738 -5.546 1.00 0.00 O ATOM 0 H GLY A 75 -0.174 -6.300 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.571 -5.826 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.353 -7.343 -3.067 1.00 0.00 H new ATOM 1113 N THR A 76 -0.456 -7.763 -4.573 1.00 0.00 N ATOM 1114 CA THR A 76 -1.154 -8.355 -5.707 1.00 0.00 C ATOM 1115 C THR A 76 -2.587 -7.840 -5.765 1.00 0.00 C ATOM 1116 O THR A 76 -3.071 -7.235 -4.808 1.00 0.00 O ATOM 1117 CB THR A 76 -1.173 -9.892 -5.629 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.248 -10.343 -4.632 1.00 0.00 O ATOM 1119 CG2 THR A 76 -0.817 -10.509 -6.972 1.00 0.00 C ATOM 0 H THR A 76 -1.059 -7.567 -3.774 1.00 0.00 H new ATOM 0 HA THR A 76 -0.614 -8.065 -6.608 1.00 0.00 H new ATOM 0 HB THR A 76 -2.181 -10.206 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.267 -11.322 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.838 -11.596 -6.890 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.539 -10.188 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.181 -10.186 -7.268 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.272 -8.073 -6.880 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.651 -7.625 -7.011 1.00 0.00 C ATOM 1129 C VAL A 77 -5.526 -8.354 -5.997 1.00 0.00 C ATOM 1130 O VAL A 77 -5.906 -9.505 -6.206 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.206 -7.872 -8.429 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.458 -7.038 -8.664 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.148 -7.568 -9.480 1.00 0.00 C ATOM 0 H VAL A 77 -2.900 -8.562 -7.694 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.666 -6.551 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.476 -8.925 -8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.836 -7.225 -9.669 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.219 -7.311 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.216 -5.981 -8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.559 -7.749 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.843 -6.525 -9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.283 -8.213 -9.323 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.812 -7.682 -4.887 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.614 -8.271 -3.821 1.00 0.00 C ATOM 1145 C VAL A 78 -7.771 -7.368 -3.413 1.00 0.00 C ATOM 1146 O VAL A 78 -7.918 -6.258 -3.921 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.752 -8.533 -2.572 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.732 -9.621 -2.839 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -5.065 -7.252 -2.127 1.00 0.00 C ATOM 0 H VAL A 78 -5.500 -6.729 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.010 -9.207 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.406 -8.874 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.135 -9.788 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.246 -10.543 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.080 -9.315 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.459 -7.452 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.426 -6.884 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.817 -6.500 -1.889 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.570 -7.851 -2.469 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.702 -7.093 -1.955 1.00 0.00 C ATOM 1161 C ASP A 79 -9.258 -6.241 -0.773 1.00 0.00 C ATOM 1162 O ASP A 79 -8.913 -6.766 0.286 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.829 -8.036 -1.530 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.888 -8.197 -2.602 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.301 -7.172 -3.187 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.305 -9.346 -2.858 1.00 0.00 O ATOM 0 H ASP A 79 -8.453 -8.770 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.076 -6.442 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.409 -9.013 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.293 -7.655 -0.620 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.256 -4.928 -0.962 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.841 -4.009 0.087 1.00 0.00 C ATOM 1173 C ILE A 80 -10.042 -3.388 0.790 1.00 0.00 C ATOM 1174 O ILE A 80 -11.170 -3.469 0.302 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.948 -2.886 -0.474 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.782 -1.866 -1.258 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.851 -3.469 -1.353 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.158 -0.488 -1.310 1.00 0.00 C ATOM 0 H ILE A 80 -9.537 -4.476 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.270 -4.593 0.809 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.482 -2.369 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.924 -2.230 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.771 -1.792 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.229 -2.663 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.236 -4.150 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.301 -4.013 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.802 0.182 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.041 -0.103 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.181 -0.549 -1.790 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.791 -2.767 1.937 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.846 -2.128 2.714 1.00 0.00 C ATOM 1192 C ILE A 81 -10.364 -0.803 3.295 1.00 0.00 C ATOM 1193 O ILE A 81 -9.268 -0.724 3.843 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.316 -3.038 3.861 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.108 -3.569 4.634 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.153 -4.186 3.316 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.463 -4.186 5.969 1.00 0.00 C ATOM 0 H ILE A 81 -8.862 -2.693 2.351 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.681 -1.945 2.038 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.937 -2.457 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.596 -4.314 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.405 -2.752 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.479 -4.822 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.025 -3.787 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.555 -4.773 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.556 -4.540 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.947 -3.439 6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.142 -5.024 5.813 1.00 0.00 H new ATOM 1209 N SER A 82 -11.187 0.233 3.186 1.00 0.00 N ATOM 1210 CA SER A 82 -10.826 1.543 3.713 1.00 0.00 C ATOM 1211 C SER A 82 -11.199 1.655 5.187 1.00 0.00 C ATOM 1212 O SER A 82 -11.922 0.813 5.718 1.00 0.00 O ATOM 1213 CB SER A 82 -11.505 2.655 2.912 1.00 0.00 C ATOM 1214 OG SER A 82 -11.665 2.281 1.554 1.00 0.00 O ATOM 0 H SER A 82 -12.104 0.192 2.740 1.00 0.00 H new ATOM 0 HA SER A 82 -9.746 1.656 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.479 2.879 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.911 3.567 2.974 1.00 0.00 H new ATOM 0 HG SER A 82 -12.103 3.008 1.064 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.684 2.689 5.845 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.942 2.913 7.270 1.00 0.00 C ATOM 1222 C ARG A 83 -12.423 2.756 7.622 1.00 0.00 C ATOM 1223 O ARG A 83 -12.759 2.253 8.695 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.458 4.306 7.685 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.396 5.430 7.270 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.639 6.723 7.017 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.019 7.775 7.957 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.785 8.813 7.636 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -12.249 8.942 6.400 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -12.089 9.724 8.551 1.00 0.00 N ATOM 0 H ARG A 83 -10.082 3.391 5.414 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.388 2.152 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.334 4.330 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.476 4.485 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.935 5.141 6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.141 5.590 8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.568 6.537 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.830 7.061 5.999 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.677 7.709 8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.018 8.244 5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.837 9.739 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.735 9.629 9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.677 10.520 8.303 1.00 0.00 H new ATOM 1244 N SER A 84 -13.306 3.201 6.729 1.00 0.00 N ATOM 1245 CA SER A 84 -14.744 3.116 6.971 1.00 0.00 C ATOM 1246 C SER A 84 -15.312 1.778 6.513 1.00 0.00 C ATOM 1247 O SER A 84 -16.414 1.394 6.901 1.00 0.00 O ATOM 1248 CB SER A 84 -15.469 4.262 6.255 1.00 0.00 C ATOM 1249 OG SER A 84 -16.118 3.803 5.081 1.00 0.00 O ATOM 0 H SER A 84 -13.052 3.622 5.835 1.00 0.00 H new ATOM 0 HA SER A 84 -14.904 3.199 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.201 4.709 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.754 5.043 5.997 1.00 0.00 H new ATOM 0 HG SER A 84 -16.574 4.553 4.645 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.553 1.072 5.684 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.997 -0.214 5.182 1.00 0.00 C ATOM 1257 C GLY A 85 -15.444 -0.141 3.738 1.00 0.00 C ATOM 1258 O GLY A 85 -16.573 0.256 3.449 1.00 0.00 O ATOM 0 H GLY A 85 -13.636 1.368 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.187 -0.937 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.820 -0.578 5.797 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.552 -0.517 2.827 1.00 0.00 N ATOM 1263 CA GLU A 86 -14.856 -0.485 1.404 1.00 0.00 C ATOM 1264 C GLU A 86 -14.402 -1.772 0.722 1.00 0.00 C ATOM 1265 O GLU A 86 -13.256 -1.888 0.289 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.178 0.725 0.756 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.311 0.772 -0.756 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.529 1.553 -1.213 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -16.546 1.541 -0.489 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -15.463 2.176 -2.292 1.00 0.00 O ATOM 0 H GLU A 86 -13.613 -0.847 3.051 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.936 -0.399 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.605 1.636 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.120 0.719 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.415 1.223 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.371 -0.245 -1.143 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.311 -2.738 0.629 1.00 0.00 N ATOM 1278 CA LYS A 87 -15.009 -4.019 -0.001 1.00 0.00 C ATOM 1279 C LYS A 87 -15.024 -3.888 -1.520 1.00 0.00 C ATOM 1280 O LYS A 87 -16.082 -3.917 -2.145 1.00 0.00 O ATOM 1281 CB LYS A 87 -16.015 -5.084 0.442 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.534 -4.884 1.859 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.474 -5.226 2.895 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.329 -6.729 3.069 1.00 0.00 C ATOM 1285 NZ LYS A 87 -16.598 -7.362 3.528 1.00 0.00 N ATOM 0 H LYS A 87 -16.264 -2.658 0.983 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.011 -4.325 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.859 -5.083 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.546 -6.066 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.850 -3.849 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.413 -5.508 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.517 -4.800 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.738 -4.772 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.022 -7.176 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.539 -6.936 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.387 -8.273 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.072 -6.735 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.222 -7.520 2.711 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.839 -3.741 -2.105 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.712 -3.602 -3.553 1.00 0.00 C ATOM 1301 C ILE A 88 -12.400 -4.193 -4.062 1.00 0.00 C ATOM 1302 O ILE A 88 -11.343 -3.972 -3.470 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.785 -2.122 -3.984 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.850 -1.271 -3.121 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -15.213 -1.607 -3.895 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.453 0.037 -3.768 1.00 0.00 C ATOM 0 H ILE A 88 -12.953 -3.715 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.547 -4.151 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.461 -2.048 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.337 -1.063 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.950 -1.845 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.243 -0.562 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.854 -2.197 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.567 -1.693 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.790 0.587 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.937 -0.163 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.345 0.631 -3.964 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.447 -4.946 -5.175 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.248 -5.553 -5.764 1.00 0.00 C ATOM 1320 C PRO A 89 -10.313 -4.496 -6.340 1.00 0.00 C ATOM 1321 O PRO A 89 -10.727 -3.655 -7.139 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.804 -6.446 -6.876 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.122 -5.846 -7.225 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.663 -5.255 -5.954 1.00 0.00 C ATOM 0 HA PRO A 89 -10.656 -6.100 -5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.137 -6.465 -7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.916 -7.476 -6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.010 -5.081 -7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.800 -6.601 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.255 -4.360 -6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.310 -5.957 -5.428 1.00 0.00 H new ATOM 1332 N VAL A 90 -9.050 -4.539 -5.924 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.059 -3.577 -6.395 1.00 0.00 C ATOM 1334 C VAL A 90 -6.722 -4.255 -6.675 1.00 0.00 C ATOM 1335 O VAL A 90 -6.403 -5.289 -6.091 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.842 -2.446 -5.366 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -6.987 -1.334 -5.958 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -9.175 -1.896 -4.879 1.00 0.00 C ATOM 0 H VAL A 90 -8.690 -5.228 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.447 -3.150 -7.320 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.313 -2.864 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.847 -0.548 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.016 -1.736 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.485 -0.920 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.998 -1.101 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.735 -1.498 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.748 -2.695 -4.408 1.00 0.00 H new ATOM 1348 N SER A 91 -5.942 -3.649 -7.564 1.00 0.00 N ATOM 1349 CA SER A 91 -4.630 -4.172 -7.921 1.00 0.00 C ATOM 1350 C SER A 91 -3.549 -3.500 -7.083 1.00 0.00 C ATOM 1351 O SER A 91 -3.459 -2.273 -7.047 1.00 0.00 O ATOM 1352 CB SER A 91 -4.354 -3.947 -9.407 1.00 0.00 C ATOM 1353 OG SER A 91 -5.460 -4.346 -10.199 1.00 0.00 O ATOM 0 H SER A 91 -6.198 -2.791 -8.052 1.00 0.00 H new ATOM 0 HA SER A 91 -4.618 -5.243 -7.720 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.138 -2.894 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.469 -4.509 -9.704 1.00 0.00 H new ATOM 0 HG SER A 91 -5.258 -4.190 -11.145 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.731 -4.301 -6.406 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.668 -3.758 -5.572 1.00 0.00 C ATOM 1361 C VAL A 92 -0.314 -4.358 -5.931 1.00 0.00 C ATOM 1362 O VAL A 92 -0.207 -5.551 -6.202 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.946 -4.009 -4.076 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.819 -3.453 -3.218 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.282 -3.403 -3.674 1.00 0.00 C ATOM 0 H VAL A 92 -2.784 -5.320 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.643 -2.684 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.995 -5.085 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.036 -3.641 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.118 -3.940 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.731 -2.379 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.462 -3.589 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.263 -2.328 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.079 -3.856 -4.263 1.00 0.00 H new ATOM 1375 N TRP A 93 0.718 -3.521 -5.918 1.00 0.00 N ATOM 1376 CA TRP A 93 2.070 -3.974 -6.225 1.00 0.00 C ATOM 1377 C TRP A 93 3.098 -3.240 -5.374 1.00 0.00 C ATOM 1378 O TRP A 93 3.371 -2.058 -5.586 1.00 0.00 O ATOM 1379 CB TRP A 93 2.403 -3.813 -7.716 1.00 0.00 C ATOM 1380 CG TRP A 93 1.546 -2.828 -8.453 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.217 -2.946 -8.748 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.970 -1.577 -9.014 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.212 -1.844 -9.446 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.845 -0.991 -9.622 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.190 -0.896 -9.054 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.905 0.242 -10.264 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.249 0.326 -9.691 1.00 0.00 C ATOM 1388 CH2 TRP A 93 2.113 0.886 -10.288 1.00 0.00 C ATOM 0 H TRP A 93 0.645 -2.528 -5.699 1.00 0.00 H new ATOM 0 HA TRP A 93 2.112 -5.037 -5.987 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.445 -3.507 -7.809 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.312 -4.785 -8.200 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.406 -3.784 -8.472 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.163 -1.686 -9.779 1.00 0.00 H new ATOM 0 HE3 TRP A 93 4.071 -1.319 -8.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.031 0.675 -10.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.187 0.860 -9.730 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.191 1.846 -10.777 1.00 0.00 H new ATOM 1399 N MET A 94 3.668 -3.957 -4.409 1.00 0.00 N ATOM 1400 CA MET A 94 4.670 -3.393 -3.515 1.00 0.00 C ATOM 1401 C MET A 94 6.073 -3.775 -3.976 1.00 0.00 C ATOM 1402 O MET A 94 6.346 -4.940 -4.264 1.00 0.00 O ATOM 1403 CB MET A 94 4.440 -3.884 -2.083 1.00 0.00 C ATOM 1404 CG MET A 94 4.860 -2.884 -1.018 1.00 0.00 C ATOM 1405 SD MET A 94 4.662 -3.527 0.656 1.00 0.00 S ATOM 1406 CE MET A 94 4.801 -2.021 1.621 1.00 0.00 C ATOM 0 H MET A 94 3.450 -4.937 -4.227 1.00 0.00 H new ATOM 0 HA MET A 94 4.578 -2.307 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.383 -4.116 -1.954 1.00 0.00 H new ATOM 0 HB3 MET A 94 4.991 -4.813 -1.934 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.902 -2.607 -1.176 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.269 -1.974 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.321 -2.234 2.555 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.361 -1.277 1.055 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.805 -1.636 1.840 1.00 0.00 H new ATOM 1416 N LYS A 95 6.959 -2.787 -4.049 1.00 0.00 N ATOM 1417 CA LYS A 95 8.334 -3.026 -4.480 1.00 0.00 C ATOM 1418 C LYS A 95 9.305 -2.148 -3.699 1.00 0.00 C ATOM 1419 O LYS A 95 9.114 -0.937 -3.592 1.00 0.00 O ATOM 1420 CB LYS A 95 8.482 -2.762 -5.982 1.00 0.00 C ATOM 1421 CG LYS A 95 7.311 -2.010 -6.593 1.00 0.00 C ATOM 1422 CD LYS A 95 7.221 -2.247 -8.092 1.00 0.00 C ATOM 1423 CE LYS A 95 6.342 -3.445 -8.416 1.00 0.00 C ATOM 1424 NZ LYS A 95 6.145 -3.610 -9.881 1.00 0.00 N ATOM 0 H LYS A 95 6.752 -1.816 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 95 8.572 -4.071 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.396 -2.193 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.599 -3.715 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.384 -2.328 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.420 -0.943 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.820 -1.358 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.220 -2.408 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.795 -4.348 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.373 -3.326 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.540 -4.437 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.690 -2.759 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.067 -3.749 -10.342 1.00 0.00 H new ATOM 1438 N ARG A 96 10.345 -2.768 -3.152 1.00 0.00 N ATOM 1439 CA ARG A 96 11.343 -2.047 -2.373 1.00 0.00 C ATOM 1440 C ARG A 96 12.351 -1.342 -3.274 1.00 0.00 C ATOM 1441 O ARG A 96 13.410 -1.886 -3.589 1.00 0.00 O ATOM 1442 CB ARG A 96 12.072 -2.997 -1.426 1.00 0.00 C ATOM 1443 CG ARG A 96 11.149 -3.974 -0.717 1.00 0.00 C ATOM 1444 CD ARG A 96 11.434 -5.409 -1.129 1.00 0.00 C ATOM 1445 NE ARG A 96 10.226 -6.229 -1.131 1.00 0.00 N ATOM 1446 CZ ARG A 96 10.055 -7.291 -1.913 1.00 0.00 C ATOM 1447 NH1 ARG A 96 11.013 -7.664 -2.752 1.00 0.00 N ATOM 1448 NH2 ARG A 96 8.925 -7.984 -1.856 1.00 0.00 N ATOM 0 H ARG A 96 10.518 -3.770 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 96 10.819 -1.290 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.817 -3.558 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.610 -2.412 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.270 -3.873 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.112 -3.728 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.880 -5.419 -2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.165 -5.843 -0.447 1.00 0.00 H new ATOM 0 HE ARG A 96 9.470 -5.973 -0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.884 -7.136 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.878 -8.479 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.186 -7.702 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.795 -8.798 -2.456 1.00 0.00 H new ATOM 1462 N MET A 97 12.017 -0.122 -3.670 1.00 0.00 N ATOM 1463 CA MET A 97 12.891 0.678 -4.521 1.00 0.00 C ATOM 1464 C MET A 97 13.660 1.685 -3.672 1.00 0.00 C ATOM 1465 O MET A 97 13.629 1.613 -2.447 1.00 0.00 O ATOM 1466 CB MET A 97 12.076 1.400 -5.598 1.00 0.00 C ATOM 1467 CG MET A 97 11.236 2.547 -5.061 1.00 0.00 C ATOM 1468 SD MET A 97 10.719 3.693 -6.352 1.00 0.00 S ATOM 1469 CE MET A 97 9.356 2.788 -7.082 1.00 0.00 C ATOM 0 H MET A 97 11.143 0.338 -3.415 1.00 0.00 H new ATOM 0 HA MET A 97 13.602 0.017 -5.016 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.755 1.784 -6.359 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.421 0.680 -6.089 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.354 2.144 -4.564 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.807 3.089 -4.307 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.929 3.369 -7.899 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.717 1.834 -7.465 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.591 2.610 -6.326 1.00 0.00 H new ATOM 1479 N ARG A 98 14.348 2.621 -4.319 1.00 0.00 N ATOM 1480 CA ARG A 98 15.115 3.629 -3.594 1.00 0.00 C ATOM 1481 C ARG A 98 14.528 5.019 -3.811 1.00 0.00 C ATOM 1482 O ARG A 98 14.349 5.456 -4.949 1.00 0.00 O ATOM 1483 CB ARG A 98 16.579 3.604 -4.036 1.00 0.00 C ATOM 1484 CG ARG A 98 17.272 2.279 -3.759 1.00 0.00 C ATOM 1485 CD ARG A 98 18.380 2.435 -2.728 1.00 0.00 C ATOM 1486 NE ARG A 98 19.670 2.723 -3.350 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.185 3.945 -3.451 1.00 0.00 C ATOM 1488 NH1 ARG A 98 19.523 4.990 -2.971 1.00 0.00 N ATOM 1489 NH2 ARG A 98 21.363 4.122 -4.030 1.00 0.00 N ATOM 0 H ARG A 98 14.391 2.703 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 98 15.062 3.394 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.632 3.817 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.119 4.401 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.542 1.553 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.689 1.884 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.123 3.239 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.458 1.522 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 98 20.206 1.942 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.616 4.857 -2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.921 5.926 -3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.876 3.321 -4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.758 5.059 -4.107 1.00 0.00 H new ATOM 1503 N GLN A 99 14.225 5.707 -2.714 1.00 0.00 N ATOM 1504 CA GLN A 99 13.655 7.047 -2.786 1.00 0.00 C ATOM 1505 C GLN A 99 14.546 8.062 -2.077 1.00 0.00 C ATOM 1506 O GLN A 99 14.550 9.244 -2.423 1.00 0.00 O ATOM 1507 CB GLN A 99 12.256 7.059 -2.170 1.00 0.00 C ATOM 1508 CG GLN A 99 11.465 8.320 -2.484 1.00 0.00 C ATOM 1509 CD GLN A 99 10.203 8.035 -3.276 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.059 8.087 -2.605 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.257 7.773 -4.478 1.00 0.00 N flip ATOM 0 H GLN A 99 14.365 5.358 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 99 13.586 7.329 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.701 6.193 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.343 6.954 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.200 8.819 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.095 9.009 -3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.159 7.744 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.400 7.585 -4.998 1.00 0.00 H new ATOM 1520 N GLU A 100 15.300 7.597 -1.084 1.00 0.00 N ATOM 1521 CA GLU A 100 16.195 8.470 -0.331 1.00 0.00 C ATOM 1522 C GLU A 100 17.584 7.851 -0.194 1.00 0.00 C ATOM 1523 O GLU A 100 18.444 8.044 -1.052 1.00 0.00 O ATOM 1524 CB GLU A 100 15.611 8.763 1.056 1.00 0.00 C ATOM 1525 CG GLU A 100 14.905 10.105 1.147 1.00 0.00 C ATOM 1526 CD GLU A 100 13.741 10.088 2.118 1.00 0.00 C ATOM 1527 OE1 GLU A 100 12.709 9.461 1.796 1.00 0.00 O ATOM 1528 OE2 GLU A 100 13.859 10.700 3.200 1.00 0.00 O ATOM 0 H GLU A 100 15.309 6.622 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 100 16.292 9.405 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.907 7.973 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.414 8.733 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.620 10.867 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.544 10.389 0.158 1.00 0.00 H new ATOM 1535 N ARG A 101 17.794 7.106 0.888 1.00 0.00 N ATOM 1536 CA ARG A 101 19.076 6.458 1.136 1.00 0.00 C ATOM 1537 C ARG A 101 18.870 5.015 1.586 1.00 0.00 C ATOM 1538 O ARG A 101 19.830 4.279 1.807 1.00 0.00 O ATOM 1539 CB ARG A 101 19.860 7.227 2.200 1.00 0.00 C ATOM 1540 CG ARG A 101 19.111 7.379 3.514 1.00 0.00 C ATOM 1541 CD ARG A 101 19.733 8.452 4.394 1.00 0.00 C ATOM 1542 NE ARG A 101 18.723 9.231 5.102 1.00 0.00 N ATOM 1543 CZ ARG A 101 18.020 8.768 6.134 1.00 0.00 C ATOM 1544 NH1 ARG A 101 18.218 7.531 6.573 1.00 0.00 N ATOM 1545 NH2 ARG A 101 17.119 9.540 6.725 1.00 0.00 N ATOM 0 H ARG A 101 17.091 6.937 1.607 1.00 0.00 H new ATOM 0 HA ARG A 101 19.645 6.456 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.804 6.714 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.106 8.216 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.070 7.632 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.111 6.427 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.403 7.985 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 101 20.340 9.118 3.780 1.00 0.00 H new ATOM 0 HE ARG A 101 18.545 10.185 4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.909 6.934 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.679 7.178 7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.963 10.491 6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 101 16.582 9.183 7.515 1.00 0.00 H new ATOM 1559 N ARG A 102 17.609 4.625 1.721 1.00 0.00 N ATOM 1560 CA ARG A 102 17.262 3.275 2.148 1.00 0.00 C ATOM 1561 C ARG A 102 16.193 2.680 1.234 1.00 0.00 C ATOM 1562 O ARG A 102 15.377 3.408 0.668 1.00 0.00 O ATOM 1563 CB ARG A 102 16.780 3.294 3.607 1.00 0.00 C ATOM 1564 CG ARG A 102 15.575 2.403 3.888 1.00 0.00 C ATOM 1565 CD ARG A 102 14.269 3.183 3.827 1.00 0.00 C ATOM 1566 NE ARG A 102 14.441 4.577 4.229 1.00 0.00 N ATOM 1567 CZ ARG A 102 14.170 5.033 5.448 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.717 4.207 6.382 1.00 0.00 N ATOM 1569 NH2 ARG A 102 14.355 6.313 5.734 1.00 0.00 N ATOM 0 H ARG A 102 16.806 5.227 1.540 1.00 0.00 H new ATOM 0 HA ARG A 102 18.150 2.647 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.603 2.985 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.529 4.319 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.547 1.590 3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.681 1.948 4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.872 3.145 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.533 2.708 4.475 1.00 0.00 H new ATOM 0 HE ARG A 102 14.789 5.238 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.576 3.220 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.510 4.559 7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.706 6.950 5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.147 6.662 6.670 1.00 0.00 H new ATOM 1583 N LEU A 103 16.205 1.356 1.097 1.00 0.00 N ATOM 1584 CA LEU A 103 15.228 0.669 0.256 1.00 0.00 C ATOM 1585 C LEU A 103 13.810 0.996 0.716 1.00 0.00 C ATOM 1586 O LEU A 103 13.284 0.365 1.631 1.00 0.00 O ATOM 1587 CB LEU A 103 15.445 -0.850 0.282 1.00 0.00 C ATOM 1588 CG LEU A 103 16.561 -1.342 1.205 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.189 -2.680 1.827 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.870 -1.454 0.438 1.00 0.00 C ATOM 0 H LEU A 103 16.877 0.740 1.555 1.00 0.00 H new ATOM 0 HA LEU A 103 15.364 1.018 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.512 -1.327 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.662 -1.185 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 103 16.692 -0.617 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.995 -3.014 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.273 -2.569 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.032 -3.416 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.655 -1.805 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.751 -2.160 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 103 18.143 -0.477 0.040 1.00 0.00 H new ATOM 1602 N CYS A 104 13.202 1.989 0.076 1.00 0.00 N ATOM 1603 CA CYS A 104 11.850 2.404 0.421 1.00 0.00 C ATOM 1604 C CYS A 104 10.813 1.573 -0.326 1.00 0.00 C ATOM 1605 O CYS A 104 10.831 1.492 -1.555 1.00 0.00 O ATOM 1606 CB CYS A 104 11.653 3.888 0.103 1.00 0.00 C ATOM 1607 SG CYS A 104 12.252 5.003 1.395 1.00 0.00 S ATOM 0 H CYS A 104 13.625 2.521 -0.685 1.00 0.00 H new ATOM 0 HA CYS A 104 11.713 2.244 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 104 12.167 4.120 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.592 4.076 -0.062 1.00 0.00 H new ATOM 0 HG CYS A 104 12.044 6.235 1.036 1.00 0.00 H new ATOM 1613 N CYS A 105 9.911 0.962 0.429 1.00 0.00 N ATOM 1614 CA CYS A 105 8.855 0.136 -0.141 1.00 0.00 C ATOM 1615 C CYS A 105 7.708 1.005 -0.652 1.00 0.00 C ATOM 1616 O CYS A 105 7.130 1.788 0.098 1.00 0.00 O ATOM 1617 CB CYS A 105 8.340 -0.839 0.916 1.00 0.00 C ATOM 1618 SG CYS A 105 7.886 -2.462 0.266 1.00 0.00 S ATOM 0 H CYS A 105 9.890 1.024 1.447 1.00 0.00 H new ATOM 0 HA CYS A 105 9.264 -0.424 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 105 9.107 -0.967 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.471 -0.400 1.407 1.00 0.00 H new ATOM 0 HG CYS A 105 7.270 -3.142 1.187 1.00 0.00 H new ATOM 1624 N VAL A 106 7.385 0.864 -1.935 1.00 0.00 N ATOM 1625 CA VAL A 106 6.308 1.639 -2.545 1.00 0.00 C ATOM 1626 C VAL A 106 5.136 0.745 -2.938 1.00 0.00 C ATOM 1627 O VAL A 106 5.329 -0.358 -3.449 1.00 0.00 O ATOM 1628 CB VAL A 106 6.807 2.399 -3.791 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.671 3.173 -4.447 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.952 3.331 -3.424 1.00 0.00 C ATOM 0 H VAL A 106 7.854 0.220 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 106 5.971 2.358 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 106 7.176 1.668 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.048 3.700 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.886 2.480 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.264 3.893 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.291 3.859 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.610 4.053 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.776 2.750 -3.011 1.00 0.00 H new ATOM 1640 N VAL A 107 3.918 1.229 -2.701 1.00 0.00 N ATOM 1641 CA VAL A 107 2.713 0.478 -3.033 1.00 0.00 C ATOM 1642 C VAL A 107 1.777 1.319 -3.900 1.00 0.00 C ATOM 1643 O VAL A 107 1.642 2.526 -3.693 1.00 0.00 O ATOM 1644 CB VAL A 107 1.975 0.012 -1.749 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.625 0.702 -1.590 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.802 -1.499 -1.752 1.00 0.00 C ATOM 0 H VAL A 107 3.741 2.141 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 107 3.015 -0.405 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 107 2.592 0.295 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.141 0.349 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.773 1.780 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.005 0.471 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.283 -1.808 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.218 -1.797 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.781 -1.977 -1.790 1.00 0.00 H new ATOM 1656 N VAL A 108 1.136 0.682 -4.875 1.00 0.00 N ATOM 1657 CA VAL A 108 0.219 1.383 -5.769 1.00 0.00 C ATOM 1658 C VAL A 108 -1.092 0.618 -5.922 1.00 0.00 C ATOM 1659 O VAL A 108 -1.098 -0.559 -6.284 1.00 0.00 O ATOM 1660 CB VAL A 108 0.835 1.599 -7.164 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.090 2.692 -7.913 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.316 1.934 -7.053 1.00 0.00 C ATOM 0 H VAL A 108 1.234 -0.315 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 108 0.024 2.354 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 108 0.739 0.671 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.539 2.830 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.955 2.406 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.151 3.624 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.731 2.083 -8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.440 2.846 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.839 1.114 -6.561 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.203 1.291 -5.632 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.520 0.675 -5.723 1.00 0.00 C ATOM 1674 C LEU A 109 -4.286 1.182 -6.942 1.00 0.00 C ATOM 1675 O LEU A 109 -4.517 2.381 -7.090 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.305 0.973 -4.450 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.430 1.227 -3.224 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.164 2.079 -2.205 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.989 -0.094 -2.615 1.00 0.00 C ATOM 0 H LEU A 109 -2.215 2.266 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.392 -0.402 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.935 1.846 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.970 0.135 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.542 1.776 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.521 2.247 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.427 3.037 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.072 1.566 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.366 0.098 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.866 -0.668 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.418 -0.661 -3.350 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.685 0.259 -7.811 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.430 0.611 -9.012 1.00 0.00 C ATOM 1693 C GLU A 110 -6.765 -0.128 -9.049 1.00 0.00 C ATOM 1694 O GLU A 110 -6.800 -1.356 -9.124 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.608 0.293 -10.257 1.00 0.00 C ATOM 1696 CG GLU A 110 -5.434 0.164 -11.530 1.00 0.00 C ATOM 1697 CD GLU A 110 -4.583 -0.109 -12.753 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.496 -0.706 -12.601 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -5.002 0.275 -13.865 1.00 0.00 O ATOM 0 H GLU A 110 -4.504 -0.739 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.631 1.682 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.863 1.076 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.065 -0.638 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -6.158 -0.642 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.002 1.082 -11.685 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.887 0.611 -9.000 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.222 0.013 -9.027 1.00 0.00 C ATOM 1708 C PRO A 111 -9.451 -0.809 -10.290 1.00 0.00 C ATOM 1709 O PRO A 111 -9.108 -0.376 -11.391 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.173 1.218 -8.990 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.336 2.394 -9.373 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.941 2.079 -8.915 1.00 0.00 C ATOM 0 HA PRO A 111 -9.373 -0.678 -8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.004 1.084 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.604 1.349 -7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.365 2.559 -10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.705 3.305 -8.901 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.192 2.548 -9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.761 2.431 -7.899 1.00 0.00 H new ATOM 1720 N VAL A 112 -10.030 -1.994 -10.130 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.299 -2.870 -11.264 1.00 0.00 C ATOM 1722 C VAL A 112 -11.430 -2.317 -12.126 1.00 0.00 C ATOM 1723 O VAL A 112 -12.280 -1.566 -11.646 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.662 -4.296 -10.805 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.589 -4.850 -9.881 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -12.021 -4.312 -10.122 1.00 0.00 C ATOM 0 H VAL A 112 -10.322 -2.369 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.384 -2.914 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.717 -4.935 -11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.863 -5.857 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.635 -4.881 -10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.498 -4.209 -9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.257 -5.328 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.998 -3.657 -9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.783 -3.962 -10.819 1.00 0.00 H new