USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 670 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 Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -1.71! K(o=-1.7!,f=-0.92) USER MOD Single : A 28 GLN : amide:sc= -0.0376 K(o=-0.038,f=-0.69) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.245 K(o=-0.24,f=-6.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.4) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc=-0.00306 (180deg=-0.105) USER MOD Single : A 52 LYS NZ :NH3+ -128:sc= -1.53 (180deg=-3.06!) USER MOD Single : A 54 GLN : amide:sc= -0.682 K(o=-0.68,f=-1.6) USER MOD Single : A 63 HIS : no HD1:sc= -0.821 X(o=-0.82,f=-0.82) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.43) USER MOD Single : A 83 MET CE :methyl 160:sc= -4.94 (180deg=-7.99!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.035 -1.737 7.958 1.00 0.00 N ATOM 152 CA TRP A 14 -0.900 -0.828 8.072 1.00 0.00 C ATOM 153 C TRP A 14 -1.108 0.162 9.213 1.00 0.00 C ATOM 154 O TRP A 14 -0.172 0.486 9.943 1.00 0.00 O ATOM 155 CB TRP A 14 -0.691 -0.074 6.758 1.00 0.00 C ATOM 156 CG TRP A 14 -1.890 0.715 6.328 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.906 0.288 5.522 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.197 2.069 6.680 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.826 1.294 5.351 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.414 2.397 6.052 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.562 3.034 7.466 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -4.007 3.650 6.187 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.151 4.277 7.598 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.364 4.576 6.962 1.00 0.00 C ATOM 0 HA TRP A 14 -0.011 -1.421 8.288 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.159 0.600 6.866 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.435 -0.788 5.975 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.976 -0.696 5.083 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.677 1.230 4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.628 2.813 7.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.941 3.882 5.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.668 5.031 8.202 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.799 5.557 7.086 1.00 0.00 H new ATOM 175 N GLU A 15 -2.341 0.638 9.360 1.00 0.00 N ATOM 176 CA GLU A 15 -2.669 1.592 10.413 1.00 0.00 C ATOM 177 C GLU A 15 -2.152 1.109 11.765 1.00 0.00 C ATOM 178 O GLU A 15 -1.919 1.907 12.674 1.00 0.00 O ATOM 179 CB GLU A 15 -4.182 1.810 10.481 1.00 0.00 C ATOM 180 CG GLU A 15 -4.948 0.605 11.000 1.00 0.00 C ATOM 181 CD GLU A 15 -6.347 0.509 10.423 1.00 0.00 C ATOM 182 OE1 GLU A 15 -7.211 1.316 10.825 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.576 -0.372 9.569 1.00 0.00 O ATOM 0 H GLU A 15 -3.127 0.379 8.764 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.183 2.538 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.389 2.666 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.549 2.062 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.396 -0.303 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.010 0.660 12.087 1.00 0.00 H new ATOM 190 N LEU A 16 -1.977 -0.201 11.891 1.00 0.00 N ATOM 191 CA LEU A 16 -1.489 -0.792 13.132 1.00 0.00 C ATOM 192 C LEU A 16 -0.024 -0.437 13.365 1.00 0.00 C ATOM 193 O LEU A 16 0.395 -0.207 14.499 1.00 0.00 O ATOM 194 CB LEU A 16 -1.658 -2.312 13.097 1.00 0.00 C ATOM 195 CG LEU A 16 -3.096 -2.829 13.132 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.166 -4.249 12.592 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.652 -2.766 14.547 1.00 0.00 C ATOM 0 H LEU A 16 -2.166 -0.875 11.149 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.077 -0.386 13.955 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.179 -2.690 12.194 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.120 -2.737 13.944 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.707 -2.190 12.495 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.197 -4.600 12.625 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.810 -4.265 11.562 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.541 -4.901 13.202 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.677 -3.138 14.552 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.039 -3.381 15.206 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.639 -1.734 14.897 1.00 0.00 H new ATOM 209 N GLN A 17 0.748 -0.392 12.284 1.00 0.00 N ATOM 210 CA GLN A 17 2.166 -0.063 12.371 1.00 0.00 C ATOM 211 C GLN A 17 2.369 1.444 12.481 1.00 0.00 C ATOM 212 O GLN A 17 3.236 1.912 13.219 1.00 0.00 O ATOM 213 CB GLN A 17 2.912 -0.603 11.151 1.00 0.00 C ATOM 214 CG GLN A 17 2.621 -2.066 10.857 1.00 0.00 C ATOM 215 CD GLN A 17 3.369 -2.578 9.642 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.431 -2.064 9.290 1.00 0.00 O ATOM 217 NE2 GLN A 17 2.817 -3.596 8.992 1.00 0.00 N ATOM 0 H GLN A 17 0.416 -0.579 11.338 1.00 0.00 H new ATOM 0 HA GLN A 17 2.568 -0.531 13.270 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.645 -0.006 10.279 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.984 -0.479 11.307 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.891 -2.668 11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.550 -2.195 10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.935 -3.992 9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.275 -3.982 8.166 1.00 0.00 H new ATOM 226 N ILE A 18 1.564 2.200 11.741 1.00 0.00 N ATOM 227 CA ILE A 18 1.655 3.654 11.756 1.00 0.00 C ATOM 228 C ILE A 18 1.184 4.221 13.090 1.00 0.00 C ATOM 229 O ILE A 18 0.340 3.631 13.764 1.00 0.00 O ATOM 230 CB ILE A 18 0.824 4.282 10.622 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.393 5.650 10.239 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.634 4.408 11.040 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.622 6.339 9.135 1.00 0.00 C ATOM 0 H ILE A 18 0.842 1.829 11.124 1.00 0.00 H new ATOM 0 HA ILE A 18 2.705 3.905 11.608 1.00 0.00 H new ATOM 0 HB ILE A 18 0.877 3.630 9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.400 6.291 11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.430 5.528 9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.208 4.854 10.228 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.034 3.420 11.268 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.706 5.041 11.925 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.082 7.303 8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.637 5.718 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.409 6.493 9.453 1.00 0.00 H new ATOM 245 N SER A 19 1.734 5.372 13.466 1.00 0.00 N ATOM 246 CA SER A 19 1.371 6.019 14.721 1.00 0.00 C ATOM 247 C SER A 19 -0.059 6.548 14.667 1.00 0.00 C ATOM 248 O SER A 19 -0.642 6.725 13.597 1.00 0.00 O ATOM 249 CB SER A 19 2.339 7.163 15.028 1.00 0.00 C ATOM 250 OG SER A 19 3.442 6.708 15.792 1.00 0.00 O ATOM 0 H SER A 19 2.433 5.875 12.919 1.00 0.00 H new ATOM 0 HA SER A 19 1.434 5.276 15.516 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.695 7.602 14.096 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.816 7.950 15.572 1.00 0.00 H new ATOM 0 HG SER A 19 4.046 7.458 15.973 1.00 0.00 H new ATOM 256 N PRO A 20 -0.639 6.806 15.848 1.00 0.00 N ATOM 257 CA PRO A 20 -2.007 7.319 15.963 1.00 0.00 C ATOM 258 C PRO A 20 -2.129 8.759 15.477 1.00 0.00 C ATOM 259 O PRO A 20 -3.155 9.151 14.922 1.00 0.00 O ATOM 260 CB PRO A 20 -2.292 7.235 17.465 1.00 0.00 C ATOM 261 CG PRO A 20 -0.951 7.301 18.110 1.00 0.00 C ATOM 262 CD PRO A 20 -0.003 6.619 17.163 1.00 0.00 C ATOM 0 HA PRO A 20 -2.708 6.752 15.350 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.930 8.056 17.793 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.808 6.309 17.719 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.652 8.335 18.285 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.959 6.803 19.080 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.990 7.068 17.196 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.116 5.563 17.405 1.00 0.00 H new ATOM 270 N GLU A 21 -1.076 9.542 15.690 1.00 0.00 N ATOM 271 CA GLU A 21 -1.067 10.939 15.273 1.00 0.00 C ATOM 272 C GLU A 21 -0.793 11.059 13.777 1.00 0.00 C ATOM 273 O GLU A 21 -1.210 12.022 13.132 1.00 0.00 O ATOM 274 CB GLU A 21 -0.015 11.723 16.060 1.00 0.00 C ATOM 275 CG GLU A 21 -0.309 11.812 17.548 1.00 0.00 C ATOM 276 CD GLU A 21 -1.215 12.977 17.895 1.00 0.00 C ATOM 277 OE1 GLU A 21 -0.722 14.124 17.926 1.00 0.00 O ATOM 278 OE2 GLU A 21 -2.418 12.742 18.135 1.00 0.00 O ATOM 0 H GLU A 21 -0.219 9.233 16.148 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.052 11.359 15.479 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.958 11.253 15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.056 12.731 15.651 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.775 10.884 17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.629 11.911 18.095 1.00 0.00 H new ATOM 285 N LEU A 22 -0.088 10.075 13.230 1.00 0.00 N ATOM 286 CA LEU A 22 0.244 10.068 11.810 1.00 0.00 C ATOM 287 C LEU A 22 -0.986 9.752 10.965 1.00 0.00 C ATOM 288 O LEU A 22 -1.197 10.349 9.908 1.00 0.00 O ATOM 289 CB LEU A 22 1.347 9.047 11.528 1.00 0.00 C ATOM 290 CG LEU A 22 2.764 9.462 11.926 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.424 10.251 10.806 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.740 10.277 13.212 1.00 0.00 C ATOM 0 H LEU A 22 0.265 9.271 13.749 1.00 0.00 H new ATOM 0 HA LEU A 22 0.601 11.062 11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.101 8.122 12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.342 8.822 10.462 1.00 0.00 H new ATOM 0 HG LEU A 22 3.350 8.560 12.101 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.431 10.538 11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.475 9.635 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.839 11.147 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.757 10.564 13.480 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.138 11.173 13.064 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.308 9.678 14.014 1.00 0.00 H new ATOM 304 N LEU A 23 -1.795 8.810 11.437 1.00 0.00 N ATOM 305 CA LEU A 23 -3.006 8.415 10.726 1.00 0.00 C ATOM 306 C LEU A 23 -3.934 9.609 10.527 1.00 0.00 C ATOM 307 O LEU A 23 -4.344 9.909 9.405 1.00 0.00 O ATOM 308 CB LEU A 23 -3.735 7.311 11.494 1.00 0.00 C ATOM 309 CG LEU A 23 -5.140 6.966 11.001 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.077 6.292 9.639 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.854 6.074 12.006 1.00 0.00 C ATOM 0 H LEU A 23 -1.634 8.306 12.309 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.715 8.036 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.127 6.407 11.457 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.802 7.607 12.541 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.706 7.892 10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.086 6.054 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.606 6.964 8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.493 5.374 9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.853 5.839 11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.289 5.151 12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.932 6.592 12.962 1.00 0.00 H new ATOM 323 N ALA A 24 -4.260 10.288 11.622 1.00 0.00 N ATOM 324 CA ALA A 24 -5.136 11.452 11.566 1.00 0.00 C ATOM 325 C ALA A 24 -4.464 12.611 10.838 1.00 0.00 C ATOM 326 O ALA A 24 -5.017 13.164 9.887 1.00 0.00 O ATOM 327 CB ALA A 24 -5.543 11.873 12.971 1.00 0.00 C ATOM 0 H ALA A 24 -3.931 10.052 12.558 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.030 11.177 11.007 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.197 12.743 12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.071 11.053 13.458 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.653 12.125 13.548 1.00 0.00 H new ATOM 333 N HIS A 25 -3.269 12.975 11.291 1.00 0.00 N ATOM 334 CA HIS A 25 -2.521 14.069 10.682 1.00 0.00 C ATOM 335 C HIS A 25 -2.443 13.897 9.168 1.00 0.00 C ATOM 336 O HIS A 25 -2.538 14.867 8.418 1.00 0.00 O ATOM 337 CB HIS A 25 -1.113 14.143 11.272 1.00 0.00 C ATOM 338 CG HIS A 25 -0.251 15.189 10.636 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.729 16.421 10.243 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.067 15.182 10.325 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.257 17.126 9.717 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.358 16.397 9.755 1.00 0.00 N ATOM 0 H HIS A 25 -2.798 12.529 12.078 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.046 15.000 10.898 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.186 14.345 12.341 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.631 13.171 11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.760 14.371 10.494 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.176 18.128 9.323 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.275 16.689 9.416 1.00 0.00 H new ATOM 351 N GLY A 26 -2.267 12.655 8.727 1.00 0.00 N ATOM 352 CA GLY A 26 -2.178 12.379 7.305 1.00 0.00 C ATOM 353 C GLY A 26 -3.524 12.459 6.613 1.00 0.00 C ATOM 354 O GLY A 26 -3.719 13.275 5.712 1.00 0.00 O ATOM 0 H GLY A 26 -2.185 11.836 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.493 13.089 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.755 11.385 7.157 1.00 0.00 H new ATOM 358 N ARG A 27 -4.456 11.610 7.034 1.00 0.00 N ATOM 359 CA ARG A 27 -5.790 11.586 6.446 1.00 0.00 C ATOM 360 C ARG A 27 -6.265 12.999 6.120 1.00 0.00 C ATOM 361 O ARG A 27 -6.767 13.257 5.026 1.00 0.00 O ATOM 362 CB ARG A 27 -6.778 10.911 7.399 1.00 0.00 C ATOM 363 CG ARG A 27 -6.800 9.396 7.281 1.00 0.00 C ATOM 364 CD ARG A 27 -7.587 8.760 8.417 1.00 0.00 C ATOM 365 NE ARG A 27 -9.018 9.030 8.309 1.00 0.00 N ATOM 366 CZ ARG A 27 -9.853 8.990 9.341 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.402 8.694 10.552 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.142 9.248 9.164 1.00 0.00 N ATOM 0 H ARG A 27 -4.312 10.930 7.780 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.742 11.014 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.525 11.183 8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.779 11.297 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.242 9.111 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.779 9.015 7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.420 7.683 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.218 9.138 9.370 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.397 9.262 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.411 8.496 10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.046 8.664 11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.493 9.478 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.782 9.217 9.958 1.00 0.00 H new ATOM 382 N GLN A 28 -6.104 13.908 7.076 1.00 0.00 N ATOM 383 CA GLN A 28 -6.518 15.293 6.890 1.00 0.00 C ATOM 384 C GLN A 28 -5.736 15.947 5.756 1.00 0.00 C ATOM 385 O GLN A 28 -6.308 16.630 4.906 1.00 0.00 O ATOM 386 CB GLN A 28 -6.321 16.085 8.184 1.00 0.00 C ATOM 387 CG GLN A 28 -7.167 17.345 8.262 1.00 0.00 C ATOM 388 CD GLN A 28 -8.626 17.050 8.552 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.947 16.171 9.352 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.519 17.786 7.901 1.00 0.00 N ATOM 0 H GLN A 28 -5.690 13.710 7.987 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.576 15.297 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.560 15.444 9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.270 16.357 8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.770 17.997 9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.090 17.889 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.208 18.504 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.516 17.633 8.055 1.00 0.00 H new ATOM 399 N LYS A 29 -4.424 15.735 5.749 1.00 0.00 N ATOM 400 CA LYS A 29 -3.562 16.303 4.719 1.00 0.00 C ATOM 401 C LYS A 29 -4.026 15.881 3.328 1.00 0.00 C ATOM 402 O LYS A 29 -4.041 16.687 2.398 1.00 0.00 O ATOM 403 CB LYS A 29 -2.113 15.865 4.940 1.00 0.00 C ATOM 404 CG LYS A 29 -1.341 16.769 5.885 1.00 0.00 C ATOM 405 CD LYS A 29 0.156 16.526 5.793 1.00 0.00 C ATOM 406 CE LYS A 29 0.946 17.691 6.367 1.00 0.00 C ATOM 407 NZ LYS A 29 2.415 17.473 6.256 1.00 0.00 N ATOM 0 H LYS A 29 -3.934 15.174 6.446 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.621 17.389 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.106 14.849 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.600 15.836 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.556 17.811 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.676 16.598 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.411 15.612 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.437 16.372 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.674 18.607 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.678 17.831 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.918 18.289 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.679 16.612 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.675 17.365 5.255 1.00 0.00 H new ATOM 421 N ILE A 30 -4.404 14.614 3.195 1.00 0.00 N ATOM 422 CA ILE A 30 -4.870 14.087 1.918 1.00 0.00 C ATOM 423 C ILE A 30 -6.246 14.642 1.564 1.00 0.00 C ATOM 424 O ILE A 30 -6.523 14.954 0.405 1.00 0.00 O ATOM 425 CB ILE A 30 -4.938 12.549 1.935 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.529 11.954 1.898 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.763 12.042 0.762 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.468 10.513 2.354 1.00 0.00 C ATOM 0 H ILE A 30 -4.397 13.934 3.955 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.149 14.402 1.164 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.422 12.232 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.142 12.021 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.874 12.554 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.802 10.953 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.775 12.443 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.305 12.367 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.439 10.158 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.824 10.441 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.097 9.900 1.708 1.00 0.00 H new ATOM 440 N LEU A 31 -7.105 14.763 2.570 1.00 0.00 N ATOM 441 CA LEU A 31 -8.454 15.282 2.366 1.00 0.00 C ATOM 442 C LEU A 31 -8.412 16.684 1.767 1.00 0.00 C ATOM 443 O LEU A 31 -8.864 16.903 0.643 1.00 0.00 O ATOM 444 CB LEU A 31 -9.219 15.303 3.690 1.00 0.00 C ATOM 445 CG LEU A 31 -10.645 15.851 3.633 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.598 14.804 3.079 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.096 16.309 5.012 1.00 0.00 C ATOM 0 H LEU A 31 -6.892 14.509 3.535 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.969 14.623 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.257 14.286 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.651 15.898 4.405 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.656 16.712 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.608 15.212 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.287 14.525 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.584 13.923 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.113 16.696 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.068 15.466 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.430 17.094 5.371 1.00 0.00 H new ATOM 459 N ASP A 32 -7.867 17.630 2.525 1.00 0.00 N ATOM 460 CA ASP A 32 -7.763 19.011 2.068 1.00 0.00 C ATOM 461 C ASP A 32 -7.264 19.070 0.628 1.00 0.00 C ATOM 462 O ASP A 32 -7.613 19.981 -0.125 1.00 0.00 O ATOM 463 CB ASP A 32 -6.826 19.803 2.980 1.00 0.00 C ATOM 464 CG ASP A 32 -7.075 21.297 2.910 1.00 0.00 C ATOM 465 OD1 ASP A 32 -8.234 21.714 3.116 1.00 0.00 O ATOM 466 OD2 ASP A 32 -6.113 22.048 2.648 1.00 0.00 O ATOM 0 H ASP A 32 -7.491 17.465 3.459 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.757 19.457 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.953 19.464 4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.793 19.597 2.702 1.00 0.00 H new ATOM 471 N LEU A 33 -6.443 18.096 0.251 1.00 0.00 N ATOM 472 CA LEU A 33 -5.893 18.038 -1.099 1.00 0.00 C ATOM 473 C LEU A 33 -6.965 17.634 -2.106 1.00 0.00 C ATOM 474 O LEU A 33 -7.037 18.183 -3.206 1.00 0.00 O ATOM 475 CB LEU A 33 -4.727 17.050 -1.154 1.00 0.00 C ATOM 476 CG LEU A 33 -3.733 17.247 -2.300 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.433 16.513 -2.011 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.335 16.773 -3.615 1.00 0.00 C ATOM 0 H LEU A 33 -6.143 17.336 0.861 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.531 19.032 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.181 17.110 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.135 16.041 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.513 18.311 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.738 16.665 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.993 16.900 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.634 15.448 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.614 16.921 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.584 15.714 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.239 17.344 -3.828 1.00 0.00 H new ATOM 490 N LEU A 34 -7.797 16.672 -1.723 1.00 0.00 N ATOM 491 CA LEU A 34 -8.867 16.195 -2.592 1.00 0.00 C ATOM 492 C LEU A 34 -9.899 17.291 -2.837 1.00 0.00 C ATOM 493 O LEU A 34 -10.537 17.333 -3.888 1.00 0.00 O ATOM 494 CB LEU A 34 -9.545 14.970 -1.974 1.00 0.00 C ATOM 495 CG LEU A 34 -8.676 13.720 -1.838 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.186 12.835 -0.711 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.642 12.949 -3.150 1.00 0.00 C ATOM 0 H LEU A 34 -7.751 16.207 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.427 15.915 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.911 15.243 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.417 14.718 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.660 14.032 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.555 11.950 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.158 13.389 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.211 12.531 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.019 12.062 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.654 12.649 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.229 13.583 -3.934 1.00 0.00 H new ATOM 509 N ASN A 35 -10.055 18.179 -1.860 1.00 0.00 N ATOM 510 CA ASN A 35 -11.008 19.278 -1.971 1.00 0.00 C ATOM 511 C ASN A 35 -10.373 20.480 -2.663 1.00 0.00 C ATOM 512 O ASN A 35 -10.873 20.957 -3.682 1.00 0.00 O ATOM 513 CB ASN A 35 -11.515 19.682 -0.585 1.00 0.00 C ATOM 514 CG ASN A 35 -12.682 18.830 -0.126 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.523 18.424 -0.929 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.740 18.555 1.172 1.00 0.00 N ATOM 0 H ASN A 35 -9.534 18.159 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.850 18.937 -2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.701 19.598 0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.818 20.729 -0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.503 17.987 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.021 18.912 1.802 1.00 0.00 H new ATOM 523 N GLU A 36 -9.269 20.965 -2.103 1.00 0.00 N ATOM 524 CA GLU A 36 -8.567 22.112 -2.667 1.00 0.00 C ATOM 525 C GLU A 36 -7.828 21.723 -3.944 1.00 0.00 C ATOM 526 O GLU A 36 -7.808 22.475 -4.917 1.00 0.00 O ATOM 527 CB GLU A 36 -7.581 22.686 -1.648 1.00 0.00 C ATOM 528 CG GLU A 36 -8.222 23.050 -0.319 1.00 0.00 C ATOM 529 CD GLU A 36 -7.363 23.989 0.505 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.138 24.036 0.265 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.914 24.677 1.389 1.00 0.00 O ATOM 0 H GLU A 36 -8.842 20.582 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.307 22.873 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.788 21.959 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.111 23.574 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.190 23.516 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.409 22.140 0.251 1.00 0.00 H new ATOM 538 N GLY A 37 -7.218 20.541 -3.931 1.00 0.00 N ATOM 539 CA GLY A 37 -6.485 20.072 -5.092 1.00 0.00 C ATOM 540 C GLY A 37 -7.397 19.532 -6.175 1.00 0.00 C ATOM 541 O GLY A 37 -8.371 18.837 -5.886 1.00 0.00 O ATOM 0 H GLY A 37 -7.219 19.901 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.890 20.891 -5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.788 19.292 -4.787 1.00 0.00 H new ATOM 545 N SER A 38 -7.083 19.853 -7.426 1.00 0.00 N ATOM 546 CA SER A 38 -7.885 19.400 -8.557 1.00 0.00 C ATOM 547 C SER A 38 -7.333 18.097 -9.127 1.00 0.00 C ATOM 548 O SER A 38 -6.279 17.620 -8.707 1.00 0.00 O ATOM 549 CB SER A 38 -7.920 20.472 -9.647 1.00 0.00 C ATOM 550 OG SER A 38 -8.678 21.596 -9.233 1.00 0.00 O ATOM 0 H SER A 38 -6.279 20.425 -7.682 1.00 0.00 H new ATOM 0 HA SER A 38 -8.900 19.220 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.904 20.784 -9.888 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.350 20.055 -10.558 1.00 0.00 H new ATOM 0 HG SER A 38 -8.684 22.268 -9.947 1.00 0.00 H new ATOM 556 N ALA A 39 -8.054 17.525 -10.086 1.00 0.00 N ATOM 557 CA ALA A 39 -7.637 16.279 -10.715 1.00 0.00 C ATOM 558 C ALA A 39 -6.118 16.197 -10.818 1.00 0.00 C ATOM 559 O ALA A 39 -5.496 15.297 -10.254 1.00 0.00 O ATOM 560 CB ALA A 39 -8.269 16.146 -12.093 1.00 0.00 C ATOM 0 H ALA A 39 -8.930 17.905 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.978 15.454 -10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.949 15.210 -12.551 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.355 16.150 -11.997 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.957 16.982 -12.719 1.00 0.00 H new ATOM 566 N ARG A 40 -5.527 17.142 -11.542 1.00 0.00 N ATOM 567 CA ARG A 40 -4.080 17.176 -11.720 1.00 0.00 C ATOM 568 C ARG A 40 -3.364 16.989 -10.385 1.00 0.00 C ATOM 569 O ARG A 40 -2.690 15.982 -10.167 1.00 0.00 O ATOM 570 CB ARG A 40 -3.654 18.499 -12.359 1.00 0.00 C ATOM 571 CG ARG A 40 -3.667 18.473 -13.878 1.00 0.00 C ATOM 572 CD ARG A 40 -4.914 17.788 -14.414 1.00 0.00 C ATOM 573 NE ARG A 40 -5.135 18.079 -15.827 1.00 0.00 N ATOM 574 CZ ARG A 40 -5.569 19.252 -16.277 1.00 0.00 C ATOM 575 NH1 ARG A 40 -5.826 20.237 -15.428 1.00 0.00 N ATOM 576 NH2 ARG A 40 -5.745 19.441 -17.579 1.00 0.00 N ATOM 0 H ARG A 40 -6.028 17.894 -12.015 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.801 16.355 -12.381 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.318 19.291 -12.012 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.650 18.752 -12.017 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.618 19.492 -14.261 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.781 17.953 -14.241 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.823 16.711 -14.276 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.781 18.111 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.946 17.342 -16.506 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.691 20.096 -14.427 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.159 21.136 -15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.547 18.686 -18.235 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.078 20.342 -17.923 1.00 0.00 H new ATOM 590 N ASP A 41 -3.514 17.965 -9.497 1.00 0.00 N ATOM 591 CA ASP A 41 -2.883 17.909 -8.184 1.00 0.00 C ATOM 592 C ASP A 41 -2.860 16.479 -7.653 1.00 0.00 C ATOM 593 O ASP A 41 -1.868 16.036 -7.074 1.00 0.00 O ATOM 594 CB ASP A 41 -3.619 18.820 -7.201 1.00 0.00 C ATOM 595 CG ASP A 41 -3.771 20.234 -7.725 1.00 0.00 C ATOM 596 OD1 ASP A 41 -4.506 20.423 -8.717 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.157 21.152 -7.142 1.00 0.00 O ATOM 0 H ASP A 41 -4.068 18.805 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.855 18.256 -8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.605 18.405 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.077 18.842 -6.255 1.00 0.00 H new ATOM 602 N LEU A 42 -3.960 15.762 -7.853 1.00 0.00 N ATOM 603 CA LEU A 42 -4.068 14.381 -7.394 1.00 0.00 C ATOM 604 C LEU A 42 -3.180 13.460 -8.224 1.00 0.00 C ATOM 605 O LEU A 42 -2.463 12.619 -7.683 1.00 0.00 O ATOM 606 CB LEU A 42 -5.522 13.910 -7.468 1.00 0.00 C ATOM 607 CG LEU A 42 -6.570 14.881 -6.923 1.00 0.00 C ATOM 608 CD1 LEU A 42 -7.960 14.269 -7.010 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.244 15.268 -5.488 1.00 0.00 C ATOM 0 H LEU A 42 -4.790 16.114 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.732 14.341 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.761 13.696 -8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.607 12.971 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.554 15.784 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.693 14.974 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.194 14.044 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.990 13.350 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.000 15.959 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.232 14.374 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.266 15.748 -5.454 1.00 0.00 H new ATOM 621 N ARG A 43 -3.232 13.627 -9.542 1.00 0.00 N ATOM 622 CA ARG A 43 -2.432 12.811 -10.447 1.00 0.00 C ATOM 623 C ARG A 43 -1.024 12.607 -9.895 1.00 0.00 C ATOM 624 O ARG A 43 -0.426 11.545 -10.067 1.00 0.00 O ATOM 625 CB ARG A 43 -2.359 13.465 -11.828 1.00 0.00 C ATOM 626 CG ARG A 43 -3.649 13.352 -12.624 1.00 0.00 C ATOM 627 CD ARG A 43 -3.380 13.312 -14.120 1.00 0.00 C ATOM 628 NE ARG A 43 -2.356 14.275 -14.517 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.908 14.400 -15.761 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.391 13.627 -16.724 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.975 15.300 -16.045 1.00 0.00 N ATOM 0 H ARG A 43 -3.820 14.320 -10.006 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.913 11.837 -10.538 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.107 14.519 -11.709 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.550 13.006 -12.396 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.184 12.451 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.296 14.198 -12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.064 12.308 -14.405 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.303 13.521 -14.660 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.964 14.885 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.108 12.934 -16.510 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.045 13.725 -17.679 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.601 15.897 -15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.632 15.395 -17.001 1.00 0.00 H new ATOM 645 N SER A 44 -0.500 13.632 -9.230 1.00 0.00 N ATOM 646 CA SER A 44 0.838 13.568 -8.656 1.00 0.00 C ATOM 647 C SER A 44 0.893 12.552 -7.519 1.00 0.00 C ATOM 648 O SER A 44 1.850 11.786 -7.401 1.00 0.00 O ATOM 649 CB SER A 44 1.265 14.946 -8.145 1.00 0.00 C ATOM 650 OG SER A 44 1.358 15.877 -9.209 1.00 0.00 O ATOM 0 H SER A 44 -0.983 14.517 -9.076 1.00 0.00 H new ATOM 0 HA SER A 44 1.527 13.250 -9.439 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.546 15.303 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.228 14.868 -7.640 1.00 0.00 H new ATOM 0 HG SER A 44 1.631 16.750 -8.857 1.00 0.00 H new ATOM 656 N LEU A 45 -0.139 12.553 -6.683 1.00 0.00 N ATOM 657 CA LEU A 45 -0.211 11.632 -5.554 1.00 0.00 C ATOM 658 C LEU A 45 -0.029 10.189 -6.016 1.00 0.00 C ATOM 659 O LEU A 45 -0.472 9.815 -7.101 1.00 0.00 O ATOM 660 CB LEU A 45 -1.550 11.783 -4.831 1.00 0.00 C ATOM 661 CG LEU A 45 -1.689 13.006 -3.923 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.059 13.028 -3.264 1.00 0.00 C ATOM 663 CD2 LEU A 45 -0.588 13.017 -2.872 1.00 0.00 C ATOM 0 H LEU A 45 -0.938 13.182 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 45 0.596 11.878 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.342 11.819 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.719 10.889 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.589 13.903 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.140 13.905 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.832 13.068 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.189 12.127 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.702 13.894 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.656 12.115 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.384 13.050 -3.364 1.00 0.00 H new ATOM 675 N GLN A 46 0.625 9.385 -5.183 1.00 0.00 N ATOM 676 CA GLN A 46 0.863 7.983 -5.506 1.00 0.00 C ATOM 677 C GLN A 46 -0.450 7.213 -5.591 1.00 0.00 C ATOM 678 O GLN A 46 -1.401 7.506 -4.866 1.00 0.00 O ATOM 679 CB GLN A 46 1.775 7.345 -4.457 1.00 0.00 C ATOM 680 CG GLN A 46 3.191 7.900 -4.462 1.00 0.00 C ATOM 681 CD GLN A 46 3.919 7.628 -5.763 1.00 0.00 C ATOM 682 OE1 GLN A 46 3.825 8.404 -6.715 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.652 6.522 -5.812 1.00 0.00 N ATOM 0 H GLN A 46 0.999 9.680 -4.281 1.00 0.00 H new ATOM 0 HA GLN A 46 1.352 7.938 -6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.339 7.494 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.815 6.269 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.156 8.975 -4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.752 7.461 -3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.702 5.907 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.165 6.287 -6.662 1.00 0.00 H new ATOM 692 N ARG A 47 -0.496 6.228 -6.482 1.00 0.00 N ATOM 693 CA ARG A 47 -1.694 5.417 -6.663 1.00 0.00 C ATOM 694 C ARG A 47 -2.838 6.255 -7.227 1.00 0.00 C ATOM 695 O ARG A 47 -4.006 6.012 -6.923 1.00 0.00 O ATOM 696 CB ARG A 47 -2.115 4.788 -5.334 1.00 0.00 C ATOM 697 CG ARG A 47 -0.945 4.336 -4.476 1.00 0.00 C ATOM 698 CD ARG A 47 -0.457 2.954 -4.882 1.00 0.00 C ATOM 699 NE ARG A 47 0.409 3.003 -6.057 1.00 0.00 N ATOM 700 CZ ARG A 47 0.773 1.928 -6.747 1.00 0.00 C ATOM 701 NH1 ARG A 47 0.348 0.726 -6.382 1.00 0.00 N ATOM 702 NH2 ARG A 47 1.565 2.053 -7.805 1.00 0.00 N ATOM 0 H ARG A 47 0.282 5.972 -7.090 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.462 4.625 -7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.709 5.509 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.759 3.932 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.128 5.052 -4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.244 4.324 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.085 2.502 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.314 2.313 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 47 0.753 3.913 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.260 0.625 -5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.629 -0.098 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.895 2.975 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.844 1.227 -8.334 1.00 0.00 H new ATOM 716 N ILE A 48 -2.493 7.241 -8.048 1.00 0.00 N ATOM 717 CA ILE A 48 -3.491 8.113 -8.655 1.00 0.00 C ATOM 718 C ILE A 48 -3.151 8.408 -10.112 1.00 0.00 C ATOM 719 O ILE A 48 -1.987 8.588 -10.465 1.00 0.00 O ATOM 720 CB ILE A 48 -3.615 9.444 -7.889 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.845 9.181 -6.399 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.745 10.284 -8.465 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.216 8.624 -6.089 1.00 0.00 C ATOM 0 H ILE A 48 -1.530 7.456 -8.308 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.443 7.584 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.683 9.998 -8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.088 8.483 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.707 10.111 -5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.820 11.221 -7.913 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.542 10.496 -9.515 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.684 9.737 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.309 8.462 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.978 9.331 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.351 7.677 -6.612 1.00 0.00 H new ATOM 735 N GLY A 49 -4.178 8.457 -10.955 1.00 0.00 N ATOM 736 CA GLY A 49 -3.968 8.731 -12.364 1.00 0.00 C ATOM 737 C GLY A 49 -4.918 9.785 -12.897 1.00 0.00 C ATOM 738 O GLY A 49 -5.617 10.461 -12.142 1.00 0.00 O ATOM 0 H GLY A 49 -5.151 8.312 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.941 9.061 -12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.095 7.810 -12.933 1.00 0.00 H new ATOM 742 N PRO A 50 -4.951 9.939 -14.229 1.00 0.00 N ATOM 743 CA PRO A 50 -5.818 10.918 -14.893 1.00 0.00 C ATOM 744 C PRO A 50 -7.293 10.542 -14.801 1.00 0.00 C ATOM 745 O PRO A 50 -8.172 11.370 -15.041 1.00 0.00 O ATOM 746 CB PRO A 50 -5.346 10.881 -16.348 1.00 0.00 C ATOM 747 CG PRO A 50 -4.752 9.526 -16.520 1.00 0.00 C ATOM 748 CD PRO A 50 -4.145 9.168 -15.191 1.00 0.00 C ATOM 0 HA PRO A 50 -5.747 11.904 -14.433 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.175 11.040 -17.037 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.613 11.663 -16.546 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.512 8.801 -16.810 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.997 9.528 -17.306 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.204 8.097 -14.998 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.091 9.443 -15.143 1.00 0.00 H new ATOM 756 N LYS A 51 -7.559 9.288 -14.453 1.00 0.00 N ATOM 757 CA LYS A 51 -8.927 8.801 -14.327 1.00 0.00 C ATOM 758 C LYS A 51 -9.473 9.067 -12.928 1.00 0.00 C ATOM 759 O LYS A 51 -10.362 9.899 -12.744 1.00 0.00 O ATOM 760 CB LYS A 51 -8.988 7.303 -14.635 1.00 0.00 C ATOM 761 CG LYS A 51 -10.332 6.848 -15.176 1.00 0.00 C ATOM 762 CD LYS A 51 -11.271 6.428 -14.058 1.00 0.00 C ATOM 763 CE LYS A 51 -11.006 4.998 -13.614 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.496 4.008 -14.613 1.00 0.00 N ATOM 0 H LYS A 51 -6.843 8.589 -14.253 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.545 9.338 -15.046 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.212 7.058 -15.360 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.763 6.744 -13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.786 7.656 -15.750 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.185 6.014 -15.862 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.152 7.101 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.303 6.520 -14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.936 4.858 -13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.493 4.819 -12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.533 3.064 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.448 4.279 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.850 3.988 -15.428 1.00 0.00 H new ATOM 778 N LYS A 52 -8.935 8.355 -11.944 1.00 0.00 N ATOM 779 CA LYS A 52 -9.366 8.514 -10.560 1.00 0.00 C ATOM 780 C LYS A 52 -9.440 9.990 -10.180 1.00 0.00 C ATOM 781 O LYS A 52 -10.295 10.395 -9.393 1.00 0.00 O ATOM 782 CB LYS A 52 -8.407 7.782 -9.618 1.00 0.00 C ATOM 783 CG LYS A 52 -8.800 6.339 -9.351 1.00 0.00 C ATOM 784 CD LYS A 52 -7.713 5.597 -8.593 1.00 0.00 C ATOM 785 CE LYS A 52 -6.724 4.936 -9.541 1.00 0.00 C ATOM 786 NZ LYS A 52 -5.589 5.839 -9.875 1.00 0.00 N ATOM 0 H LYS A 52 -8.199 7.662 -12.079 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.362 8.081 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.404 7.804 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.362 8.319 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.727 6.313 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.996 5.833 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.184 6.292 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.166 4.840 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.340 4.023 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.238 4.645 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.482 5.894 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.777 6.789 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.713 5.466 -9.456 1.00 0.00 H new ATOM 800 N ALA A 53 -8.541 10.788 -10.745 1.00 0.00 N ATOM 801 CA ALA A 53 -8.507 12.219 -10.468 1.00 0.00 C ATOM 802 C ALA A 53 -9.796 12.896 -10.922 1.00 0.00 C ATOM 803 O ALA A 53 -10.294 13.807 -10.262 1.00 0.00 O ATOM 804 CB ALA A 53 -7.305 12.859 -11.146 1.00 0.00 C ATOM 0 H ALA A 53 -7.826 10.468 -11.398 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.417 12.354 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.292 13.927 -10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.389 12.402 -10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.371 12.707 -12.223 1.00 0.00 H new ATOM 810 N GLN A 54 -10.329 12.445 -12.053 1.00 0.00 N ATOM 811 CA GLN A 54 -11.560 13.010 -12.595 1.00 0.00 C ATOM 812 C GLN A 54 -12.782 12.414 -11.904 1.00 0.00 C ATOM 813 O GLN A 54 -13.867 12.996 -11.929 1.00 0.00 O ATOM 814 CB GLN A 54 -11.639 12.761 -14.102 1.00 0.00 C ATOM 815 CG GLN A 54 -10.531 13.441 -14.890 1.00 0.00 C ATOM 816 CD GLN A 54 -10.659 14.952 -14.891 1.00 0.00 C ATOM 817 OE1 GLN A 54 -9.700 15.667 -14.598 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.846 15.446 -15.222 1.00 0.00 N ATOM 0 H GLN A 54 -9.929 11.691 -12.611 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.550 14.084 -12.411 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.599 11.688 -14.287 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.603 13.112 -14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.566 13.162 -14.467 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.546 13.078 -15.918 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.613 14.816 -15.458 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.991 16.455 -15.241 1.00 0.00 H new ATOM 827 N LEU A 55 -12.600 11.251 -11.288 1.00 0.00 N ATOM 828 CA LEU A 55 -13.688 10.576 -10.590 1.00 0.00 C ATOM 829 C LEU A 55 -13.979 11.251 -9.253 1.00 0.00 C ATOM 830 O LEU A 55 -15.135 11.371 -8.846 1.00 0.00 O ATOM 831 CB LEU A 55 -13.341 9.104 -10.366 1.00 0.00 C ATOM 832 CG LEU A 55 -13.159 8.258 -11.627 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.967 6.793 -11.264 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.351 8.426 -12.559 1.00 0.00 C ATOM 0 H LEU A 55 -11.709 10.756 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.581 10.642 -11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.422 9.053 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.128 8.654 -9.761 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.265 8.603 -12.147 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.839 6.206 -12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.082 6.687 -10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.842 6.435 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.204 7.817 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.260 8.108 -12.048 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.444 9.473 -12.846 1.00 0.00 H new ATOM 846 N ILE A 56 -12.924 11.691 -8.577 1.00 0.00 N ATOM 847 CA ILE A 56 -13.067 12.356 -7.288 1.00 0.00 C ATOM 848 C ILE A 56 -13.490 13.811 -7.464 1.00 0.00 C ATOM 849 O ILE A 56 -14.491 14.250 -6.897 1.00 0.00 O ATOM 850 CB ILE A 56 -11.755 12.309 -6.481 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.232 10.874 -6.401 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.970 12.879 -5.087 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.743 10.787 -6.149 1.00 0.00 C ATOM 0 H ILE A 56 -11.961 11.599 -8.900 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.841 11.818 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.010 12.920 -6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.758 10.348 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.465 10.358 -7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.034 12.839 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.302 13.914 -5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.728 12.293 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.442 9.740 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.207 11.284 -6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.505 11.274 -5.203 1.00 0.00 H new ATOM 865 N VAL A 57 -12.722 14.553 -8.255 1.00 0.00 N ATOM 866 CA VAL A 57 -13.018 15.958 -8.509 1.00 0.00 C ATOM 867 C VAL A 57 -14.422 16.129 -9.078 1.00 0.00 C ATOM 868 O VAL A 57 -15.168 17.015 -8.663 1.00 0.00 O ATOM 869 CB VAL A 57 -12.001 16.579 -9.485 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.389 18.011 -9.821 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.598 16.521 -8.900 1.00 0.00 C ATOM 0 H VAL A 57 -11.890 14.205 -8.731 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.952 16.474 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.009 16.000 -10.408 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.659 18.433 -10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.375 18.021 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.411 18.606 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.892 16.964 -9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.572 17.075 -7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.323 15.482 -8.716 1.00 0.00 H new ATOM 881 N GLY A 58 -14.776 15.274 -10.033 1.00 0.00 N ATOM 882 CA GLY A 58 -16.090 15.347 -10.644 1.00 0.00 C ATOM 883 C GLY A 58 -17.208 15.137 -9.642 1.00 0.00 C ATOM 884 O GLY A 58 -18.250 15.789 -9.719 1.00 0.00 O ATOM 0 H GLY A 58 -14.176 14.532 -10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.212 16.319 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.164 14.595 -11.430 1.00 0.00 H new ATOM 888 N TRP A 59 -16.994 14.224 -8.702 1.00 0.00 N ATOM 889 CA TRP A 59 -17.993 13.928 -7.682 1.00 0.00 C ATOM 890 C TRP A 59 -18.237 15.142 -6.792 1.00 0.00 C ATOM 891 O TRP A 59 -19.322 15.725 -6.806 1.00 0.00 O ATOM 892 CB TRP A 59 -17.547 12.738 -6.831 1.00 0.00 C ATOM 893 CG TRP A 59 -18.563 12.323 -5.811 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.947 13.025 -4.704 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.323 11.110 -5.803 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.900 12.321 -4.008 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.149 11.143 -4.662 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.387 9.999 -6.649 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -21.026 10.108 -4.348 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.258 8.973 -6.335 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.068 9.033 -5.194 1.00 0.00 C ATOM 0 H TRP A 59 -16.137 13.676 -8.625 1.00 0.00 H new ATOM 0 HA TRP A 59 -18.926 13.675 -8.185 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.333 11.893 -7.485 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.616 12.992 -6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.559 13.991 -4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.349 12.626 -3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.767 9.943 -7.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.651 10.152 -3.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.315 8.109 -6.981 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.739 8.215 -4.977 1.00 0.00 H new ATOM 912 N ARG A 60 -17.224 15.518 -6.019 1.00 0.00 N ATOM 913 CA ARG A 60 -17.330 16.662 -5.122 1.00 0.00 C ATOM 914 C ARG A 60 -17.850 17.889 -5.865 1.00 0.00 C ATOM 915 O ARG A 60 -18.748 18.581 -5.386 1.00 0.00 O ATOM 916 CB ARG A 60 -15.970 16.972 -4.493 1.00 0.00 C ATOM 917 CG ARG A 60 -14.868 17.211 -5.512 1.00 0.00 C ATOM 918 CD ARG A 60 -13.552 17.561 -4.836 1.00 0.00 C ATOM 919 NE ARG A 60 -13.604 18.863 -4.177 1.00 0.00 N ATOM 920 CZ ARG A 60 -13.569 20.019 -4.830 1.00 0.00 C ATOM 921 NH1 ARG A 60 -13.482 20.035 -6.152 1.00 0.00 N ATOM 922 NH2 ARG A 60 -13.622 21.163 -4.159 1.00 0.00 N ATOM 0 H ARG A 60 -16.320 15.047 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.038 16.409 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.065 17.854 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.681 16.144 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.738 16.319 -6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.160 18.019 -6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.306 16.793 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.753 17.562 -5.577 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.671 18.886 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.442 19.158 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.455 20.924 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.690 21.155 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.595 22.050 -4.661 1.00 0.00 H new ATOM 936 N GLU A 61 -17.279 18.151 -7.036 1.00 0.00 N ATOM 937 CA GLU A 61 -17.685 19.295 -7.844 1.00 0.00 C ATOM 938 C GLU A 61 -19.199 19.482 -7.801 1.00 0.00 C ATOM 939 O GLU A 61 -19.697 20.608 -7.794 1.00 0.00 O ATOM 940 CB GLU A 61 -17.223 19.116 -9.291 1.00 0.00 C ATOM 941 CG GLU A 61 -15.823 19.646 -9.554 1.00 0.00 C ATOM 942 CD GLU A 61 -15.819 21.107 -9.959 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.869 21.596 -10.425 1.00 0.00 O ATOM 944 OE2 GLU A 61 -14.766 21.762 -9.809 1.00 0.00 O ATOM 0 H GLU A 61 -16.534 17.587 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.214 20.186 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.255 18.056 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.925 19.624 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.216 19.520 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.356 19.053 -10.341 1.00 0.00 H new ATOM 951 N LEU A 62 -19.925 18.370 -7.773 1.00 0.00 N ATOM 952 CA LEU A 62 -21.383 18.409 -7.732 1.00 0.00 C ATOM 953 C LEU A 62 -21.895 18.140 -6.321 1.00 0.00 C ATOM 954 O LEU A 62 -22.633 18.946 -5.752 1.00 0.00 O ATOM 955 CB LEU A 62 -21.968 17.383 -8.704 1.00 0.00 C ATOM 956 CG LEU A 62 -21.997 17.794 -10.177 1.00 0.00 C ATOM 957 CD1 LEU A 62 -21.994 16.565 -11.073 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.211 18.664 -10.464 1.00 0.00 C ATOM 0 H LEU A 62 -19.528 17.430 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.704 19.407 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.394 16.461 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -22.987 17.155 -8.391 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.101 18.376 -10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.015 16.876 -12.117 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.093 15.981 -10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -22.872 15.956 -10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.215 18.947 -11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.120 18.108 -10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.169 19.562 -9.847 1.00 0.00 H new ATOM 970 N HIS A 63 -21.497 17.002 -5.760 1.00 0.00 N ATOM 971 CA HIS A 63 -21.914 16.628 -4.413 1.00 0.00 C ATOM 972 C HIS A 63 -21.418 17.644 -3.388 1.00 0.00 C ATOM 973 O HIS A 63 -22.188 18.136 -2.565 1.00 0.00 O ATOM 974 CB HIS A 63 -21.389 15.235 -4.062 1.00 0.00 C ATOM 975 CG HIS A 63 -22.191 14.123 -4.665 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.061 13.342 -3.934 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.253 13.664 -5.937 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.622 12.449 -4.731 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.149 12.624 -5.951 1.00 0.00 N ATOM 0 H HIS A 63 -20.887 16.324 -6.217 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.004 16.615 -4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.356 15.150 -4.398 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.382 15.121 -2.978 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.701 14.045 -6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.345 11.703 -4.434 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.407 12.075 -6.771 1.00 0.00 H new ATOM 988 N GLY A 64 -20.127 17.954 -3.446 1.00 0.00 N ATOM 989 CA GLY A 64 -19.551 18.909 -2.517 1.00 0.00 C ATOM 990 C GLY A 64 -18.309 18.374 -1.832 1.00 0.00 C ATOM 991 O GLY A 64 -17.649 17.457 -2.321 1.00 0.00 O ATOM 0 H GLY A 64 -19.469 17.561 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.301 19.826 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.293 19.171 -1.763 1.00 0.00 H new ATOM 995 N PRO A 65 -17.973 18.955 -0.671 1.00 0.00 N ATOM 996 CA PRO A 65 -16.799 18.549 0.108 1.00 0.00 C ATOM 997 C PRO A 65 -16.969 17.169 0.735 1.00 0.00 C ATOM 998 O PRO A 65 -18.068 16.793 1.144 1.00 0.00 O ATOM 999 CB PRO A 65 -16.705 19.622 1.195 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.095 20.137 1.341 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.713 20.054 -0.028 1.00 0.00 C ATOM 0 HA PRO A 65 -15.906 18.472 -0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.337 19.205 2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.017 20.417 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.658 19.542 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.094 21.164 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.781 19.842 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.601 20.989 -0.577 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.874 16.419 0.808 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.903 15.080 1.385 1.00 0.00 C ATOM 1011 C PHE A 66 -15.668 15.132 2.892 1.00 0.00 C ATOM 1012 O PHE A 66 -14.570 15.449 3.349 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.845 14.194 0.723 1.00 0.00 C ATOM 1014 CG PHE A 66 -15.091 13.959 -0.740 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -16.211 13.261 -1.164 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -14.203 14.435 -1.691 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -16.439 13.043 -2.510 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.426 14.220 -3.038 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.546 13.524 -3.448 1.00 0.00 C ATOM 0 H PHE A 66 -14.957 16.715 0.475 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.890 14.654 1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.866 14.655 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.814 13.233 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.913 12.883 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.326 14.981 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -17.315 12.497 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.725 14.596 -3.769 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.724 13.356 -4.500 1.00 0.00 H new ATOM 1029 N SER A 67 -16.708 14.819 3.658 1.00 0.00 N ATOM 1030 CA SER A 67 -16.617 14.834 5.113 1.00 0.00 C ATOM 1031 C SER A 67 -15.358 14.114 5.587 1.00 0.00 C ATOM 1032 O SER A 67 -14.715 14.534 6.548 1.00 0.00 O ATOM 1033 CB SER A 67 -17.855 14.180 5.730 1.00 0.00 C ATOM 1034 OG SER A 67 -18.968 15.056 5.688 1.00 0.00 O ATOM 0 H SER A 67 -17.623 14.552 3.295 1.00 0.00 H new ATOM 0 HA SER A 67 -16.564 15.873 5.438 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.091 13.261 5.193 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.646 13.901 6.763 1.00 0.00 H new ATOM 0 HG SER A 67 -19.747 14.615 6.086 1.00 0.00 H new ATOM 1040 N GLN A 68 -15.014 13.026 4.904 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.833 12.246 5.255 1.00 0.00 C ATOM 1042 C GLN A 68 -13.254 11.553 4.026 1.00 0.00 C ATOM 1043 O GLN A 68 -13.905 11.466 2.985 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.181 11.209 6.324 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.498 10.493 6.072 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.181 10.059 7.354 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -17.385 10.250 7.525 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -15.413 9.470 8.264 1.00 0.00 N ATOM 0 H GLN A 68 -15.536 12.665 4.105 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.082 12.929 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.380 10.471 6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.225 11.702 7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.164 11.152 5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.318 9.619 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.419 9.332 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.817 9.156 9.146 1.00 0.00 H new ATOM 1057 N VAL A 69 -12.025 11.062 4.154 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.358 10.376 3.054 1.00 0.00 C ATOM 1059 C VAL A 69 -12.073 9.076 2.703 1.00 0.00 C ATOM 1060 O VAL A 69 -12.063 8.643 1.551 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.889 10.065 3.395 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.123 9.664 2.144 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.234 11.261 4.070 1.00 0.00 C ATOM 0 H VAL A 69 -11.472 11.127 5.008 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.390 11.048 2.196 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.866 9.226 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.087 9.448 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.580 8.776 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.153 10.480 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.196 11.023 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.267 12.120 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.768 11.497 4.990 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.692 8.459 3.704 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.412 7.207 3.500 1.00 0.00 C ATOM 1075 C GLU A 70 -14.520 7.379 2.465 1.00 0.00 C ATOM 1076 O GLU A 70 -15.051 6.401 1.939 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.005 6.713 4.821 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.146 5.202 4.897 1.00 0.00 C ATOM 1079 CD GLU A 70 -14.847 4.744 6.161 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -14.196 4.719 7.226 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -16.049 4.411 6.084 1.00 0.00 O ATOM 0 H GLU A 70 -12.710 8.805 4.663 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.704 6.466 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.374 7.052 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.985 7.169 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.703 4.849 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.157 4.746 4.849 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.864 8.630 2.178 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.909 8.932 1.206 1.00 0.00 C ATOM 1090 C ASP A 71 -15.543 8.388 -0.171 1.00 0.00 C ATOM 1091 O ASP A 71 -16.414 7.981 -0.941 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.141 10.442 1.128 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.064 10.943 2.221 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -16.801 10.642 3.404 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.048 11.638 1.893 1.00 0.00 O ATOM 0 H ASP A 71 -14.435 9.451 2.604 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.829 8.448 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.184 10.958 1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.565 10.692 0.155 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.250 8.386 -0.476 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.768 7.893 -1.762 1.00 0.00 C ATOM 1102 C LEU A 72 -14.452 6.581 -2.133 1.00 0.00 C ATOM 1103 O LEU A 72 -14.892 6.400 -3.268 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.252 7.697 -1.719 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.409 8.973 -1.744 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.967 8.667 -1.372 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.480 9.632 -3.114 1.00 0.00 C ATOM 0 H LEU A 72 -13.517 8.720 0.149 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.011 8.635 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.003 7.139 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.962 7.077 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.813 9.667 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.382 9.587 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.933 8.240 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.551 7.954 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.874 10.538 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.102 8.943 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.515 9.887 -3.342 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.539 5.671 -1.168 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.171 4.377 -1.395 1.00 0.00 C ATOM 1121 C GLU A 73 -16.470 4.535 -2.180 1.00 0.00 C ATOM 1122 O GLU A 73 -16.731 3.791 -3.125 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.450 3.680 -0.061 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.790 4.054 0.552 1.00 0.00 C ATOM 1125 CD GLU A 73 -17.042 3.353 1.873 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -16.911 2.113 1.922 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -17.371 4.047 2.858 1.00 0.00 O ATOM 0 H GLU A 73 -14.180 5.806 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.485 3.765 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.417 2.601 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.656 3.929 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.828 5.133 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.588 3.803 -0.147 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.281 5.510 -1.781 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.553 5.765 -2.445 1.00 0.00 C ATOM 1136 C ARG A 74 -18.340 6.096 -3.919 1.00 0.00 C ATOM 1137 O ARG A 74 -19.159 5.747 -4.770 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.291 6.914 -1.755 1.00 0.00 C ATOM 1139 CG ARG A 74 -20.016 6.497 -0.486 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.899 7.615 0.044 1.00 0.00 C ATOM 1141 NE ARG A 74 -22.062 7.101 0.762 1.00 0.00 N ATOM 1142 CZ ARG A 74 -23.000 6.347 0.198 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.911 6.022 -1.084 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -24.028 5.917 0.918 1.00 0.00 N ATOM 0 H ARG A 74 -17.079 6.136 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.158 4.861 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.576 7.701 -1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.012 7.342 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.625 5.615 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.288 6.215 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.316 8.253 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.232 8.238 -0.786 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.160 7.333 1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.121 6.351 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.632 5.443 -1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.099 6.165 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.748 5.338 0.485 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.234 6.772 -4.215 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.912 7.150 -5.586 1.00 0.00 C ATOM 1160 C VAL A 75 -16.691 5.918 -6.458 1.00 0.00 C ATOM 1161 O VAL A 75 -15.850 5.074 -6.153 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.656 8.038 -5.643 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.306 8.376 -7.084 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.861 9.304 -4.824 1.00 0.00 C ATOM 0 H VAL A 75 -16.546 7.069 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.763 7.714 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.821 7.485 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.416 9.004 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.114 7.457 -7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.137 8.910 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.963 9.920 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.708 9.862 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.059 9.038 -3.786 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.452 5.825 -7.544 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.339 4.696 -8.460 1.00 0.00 C ATOM 1176 C GLU A 76 -15.892 4.498 -8.903 1.00 0.00 C ATOM 1177 O GLU A 76 -15.153 5.463 -9.095 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.234 4.910 -9.682 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.581 5.738 -10.776 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.847 4.886 -11.793 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.123 3.957 -11.377 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -16.995 5.148 -13.005 1.00 0.00 O ATOM 0 H GLU A 76 -18.152 6.517 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.665 3.799 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.515 3.939 -10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -19.154 5.401 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.344 6.328 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.882 6.442 -10.325 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.495 3.239 -9.064 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.139 2.937 -9.483 1.00 0.00 C ATOM 1191 C GLY A 77 -13.191 2.781 -8.310 1.00 0.00 C ATOM 1192 O GLY A 77 -12.342 1.889 -8.304 1.00 0.00 O ATOM 0 H GLY A 77 -16.088 2.423 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.139 2.019 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.778 3.732 -10.135 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.334 3.650 -7.316 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.483 3.605 -6.133 1.00 0.00 C ATOM 1198 C ILE A 78 -13.216 2.977 -4.952 1.00 0.00 C ATOM 1199 O ILE A 78 -13.768 3.680 -4.104 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.999 5.011 -5.733 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.454 5.753 -6.956 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.938 4.917 -4.647 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.038 7.178 -6.662 1.00 0.00 C ATOM 0 H ILE A 78 -14.031 4.394 -7.306 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.619 2.992 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.846 5.572 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.597 5.207 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.215 5.759 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.606 5.919 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.357 4.423 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.089 4.341 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.662 7.643 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.897 7.740 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.255 7.179 -5.904 1.00 0.00 H new ATOM 1215 N THR A 79 -13.217 1.649 -4.902 1.00 0.00 N ATOM 1216 CA THR A 79 -13.881 0.925 -3.825 1.00 0.00 C ATOM 1217 C THR A 79 -13.207 1.194 -2.484 1.00 0.00 C ATOM 1218 O THR A 79 -12.048 1.602 -2.432 1.00 0.00 O ATOM 1219 CB THR A 79 -13.888 -0.592 -4.088 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.505 -1.277 -2.992 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.473 -1.113 -4.286 1.00 0.00 C ATOM 0 H THR A 79 -12.765 1.052 -5.595 1.00 0.00 H new ATOM 0 HA THR A 79 -14.909 1.285 -3.790 1.00 0.00 H new ATOM 0 HB THR A 79 -14.458 -0.778 -4.999 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.507 -2.241 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.503 -2.187 -4.470 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.017 -0.611 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.884 -0.915 -3.391 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.942 0.963 -1.400 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.397 1.185 -0.074 1.00 0.00 C ATOM 1231 C GLY A 80 -11.991 0.640 0.075 1.00 0.00 C ATOM 1232 O GLY A 80 -11.195 1.158 0.858 1.00 0.00 O ATOM 0 H GLY A 80 -14.905 0.626 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.393 2.254 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.046 0.715 0.665 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.683 -0.411 -0.678 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.363 -1.029 -0.628 1.00 0.00 C ATOM 1238 C LYS A 81 -9.370 -0.261 -1.494 1.00 0.00 C ATOM 1239 O LYS A 81 -8.175 -0.227 -1.201 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.441 -2.485 -1.092 1.00 0.00 C ATOM 1241 CG LYS A 81 -11.067 -3.416 -0.068 1.00 0.00 C ATOM 1242 CD LYS A 81 -12.585 -3.399 -0.153 1.00 0.00 C ATOM 1243 CE LYS A 81 -13.220 -3.900 1.135 1.00 0.00 C ATOM 1244 NZ LYS A 81 -13.047 -5.369 1.304 1.00 0.00 N ATOM 0 H LYS A 81 -12.330 -0.853 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.015 -1.001 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.018 -2.533 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.436 -2.838 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.704 -4.431 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.754 -3.120 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.928 -2.385 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.911 -4.021 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.775 -3.382 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.283 -3.657 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.493 -5.671 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.493 -5.865 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.033 -5.598 1.330 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.872 0.355 -2.559 1.00 0.00 N ATOM 1259 CA GLN A 82 -9.027 1.123 -3.466 1.00 0.00 C ATOM 1260 C GLN A 82 -8.453 2.351 -2.767 1.00 0.00 C ATOM 1261 O GLN A 82 -7.265 2.646 -2.888 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.824 1.550 -4.700 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.783 0.537 -5.832 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.489 0.596 -6.621 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -8.004 1.676 -6.959 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.924 -0.568 -6.919 1.00 0.00 N ATOM 0 H GLN A 82 -10.859 0.337 -2.815 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.200 0.486 -3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.862 1.718 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.435 2.502 -5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.909 -0.465 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.622 0.715 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.361 -1.439 -6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.053 -0.591 -7.449 1.00 0.00 H new ATOM 1275 N MET A 83 -9.305 3.062 -2.035 1.00 0.00 N ATOM 1276 CA MET A 83 -8.881 4.257 -1.316 1.00 0.00 C ATOM 1277 C MET A 83 -7.940 3.897 -0.170 1.00 0.00 C ATOM 1278 O MET A 83 -7.084 4.693 0.214 1.00 0.00 O ATOM 1279 CB MET A 83 -10.097 5.011 -0.774 1.00 0.00 C ATOM 1280 CG MET A 83 -10.939 4.192 0.191 1.00 0.00 C ATOM 1281 SD MET A 83 -10.374 4.331 1.897 1.00 0.00 S ATOM 1282 CE MET A 83 -10.420 6.107 2.125 1.00 0.00 C ATOM 0 H MET A 83 -10.292 2.831 -1.925 1.00 0.00 H new ATOM 0 HA MET A 83 -8.346 4.900 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.758 5.916 -0.270 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.721 5.327 -1.610 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.977 4.519 0.129 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.916 3.145 -0.111 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.449 6.336 3.190 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.530 6.554 1.681 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.309 6.513 1.642 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.105 2.694 0.370 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.270 2.231 1.472 1.00 0.00 C ATOM 1294 C GLU A 84 -5.808 2.137 1.045 1.00 0.00 C ATOM 1295 O GLU A 84 -4.936 2.773 1.637 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.755 0.868 1.971 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.834 0.960 3.038 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.910 -0.286 3.899 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -9.282 -1.353 3.366 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -8.597 -0.195 5.104 1.00 0.00 O ATOM 0 H GLU A 84 -8.809 2.023 0.063 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.348 2.956 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.139 0.297 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.906 0.314 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.639 1.824 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.799 1.126 2.560 1.00 0.00 H new ATOM 1307 N SER A 85 -5.549 1.340 0.014 1.00 0.00 N ATOM 1308 CA SER A 85 -4.193 1.159 -0.491 1.00 0.00 C ATOM 1309 C SER A 85 -3.555 2.503 -0.829 1.00 0.00 C ATOM 1310 O SER A 85 -2.383 2.738 -0.536 1.00 0.00 O ATOM 1311 CB SER A 85 -4.202 0.260 -1.729 1.00 0.00 C ATOM 1312 OG SER A 85 -4.422 -1.095 -1.374 1.00 0.00 O ATOM 0 H SER A 85 -6.260 0.809 -0.488 1.00 0.00 H new ATOM 0 HA SER A 85 -3.602 0.682 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.981 0.590 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.252 0.352 -2.256 1.00 0.00 H new ATOM 0 HG SER A 85 -4.425 -1.649 -2.183 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.336 3.382 -1.449 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.848 4.702 -1.829 1.00 0.00 C ATOM 1320 C PHE A 86 -3.347 5.469 -0.608 1.00 0.00 C ATOM 1321 O PHE A 86 -2.176 5.846 -0.535 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.955 5.497 -2.525 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.813 6.984 -2.371 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.613 7.613 -2.662 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.880 7.754 -1.936 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.479 8.981 -2.520 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.752 9.123 -1.793 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.551 9.737 -2.086 1.00 0.00 C ATOM 0 H PHE A 86 -5.309 3.204 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.015 4.569 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.957 5.248 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.920 5.189 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.773 7.027 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.822 7.279 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.538 9.459 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.591 9.712 -1.452 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.449 10.807 -1.976 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.241 5.697 0.348 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.891 6.420 1.566 1.00 0.00 C ATOM 1340 C LEU A 87 -2.502 6.023 2.054 1.00 0.00 C ATOM 1341 O LEU A 87 -1.590 6.849 2.106 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.926 6.147 2.659 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.220 6.957 2.576 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.359 6.215 3.256 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.029 8.332 3.199 1.00 0.00 C ATOM 0 H LEU A 87 -5.213 5.392 0.303 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.885 7.486 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.182 5.088 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.462 6.339 3.627 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.477 7.089 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.272 6.807 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.512 5.254 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.112 6.051 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.960 8.895 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.748 8.221 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.242 8.867 2.667 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.346 4.752 2.410 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.067 4.243 2.891 1.00 0.00 C ATOM 1359 C LYS A 88 0.086 4.799 2.062 1.00 0.00 C ATOM 1360 O LYS A 88 1.015 5.402 2.600 1.00 0.00 O ATOM 1361 CB LYS A 88 -1.053 2.713 2.842 1.00 0.00 C ATOM 1362 CG LYS A 88 0.336 2.113 2.976 1.00 0.00 C ATOM 1363 CD LYS A 88 0.292 0.746 3.637 1.00 0.00 C ATOM 1364 CE LYS A 88 0.122 -0.364 2.611 1.00 0.00 C ATOM 1365 NZ LYS A 88 1.403 -0.681 1.921 1.00 0.00 N ATOM 0 H LYS A 88 -3.090 4.055 2.374 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.939 4.569 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.685 2.326 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.493 2.384 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.793 2.027 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.967 2.781 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.210 0.584 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.531 0.712 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.257 -1.259 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.624 -0.066 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.246 -1.442 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.752 0.167 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.107 -0.989 2.621 1.00 0.00 H new ATOM 1379 N ALA A 89 0.020 4.594 0.751 1.00 0.00 N ATOM 1380 CA ALA A 89 1.057 5.079 -0.152 1.00 0.00 C ATOM 1381 C ALA A 89 1.547 6.461 0.267 1.00 0.00 C ATOM 1382 O ALA A 89 2.726 6.647 0.564 1.00 0.00 O ATOM 1383 CB ALA A 89 0.539 5.111 -1.582 1.00 0.00 C ATOM 0 H ALA A 89 -0.741 4.095 0.290 1.00 0.00 H new ATOM 0 HA ALA A 89 1.901 4.392 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.324 5.475 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.245 4.106 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.323 5.775 -1.642 1.00 0.00 H new ATOM 1389 N ASN A 90 0.634 7.426 0.286 1.00 0.00 N ATOM 1390 CA ASN A 90 0.975 8.792 0.667 1.00 0.00 C ATOM 1391 C ASN A 90 1.273 8.882 2.161 1.00 0.00 C ATOM 1392 O ASN A 90 2.387 9.220 2.563 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.167 9.745 0.305 1.00 0.00 C ATOM 1394 CG ASN A 90 0.097 11.165 0.767 1.00 0.00 C ATOM 1395 OD1 ASN A 90 0.669 11.972 0.033 1.00 0.00 O ATOM 1396 ND2 ASN A 90 -0.320 11.477 1.988 1.00 0.00 N ATOM 0 H ASN A 90 -0.347 7.288 0.042 1.00 0.00 H new ATOM 0 HA ASN A 90 1.870 9.083 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.314 9.738 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.093 9.386 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.171 12.418 2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.790 10.776 2.561 1.00 0.00 H new ATOM 1403 N ILE A 91 0.270 8.578 2.978 1.00 0.00 N ATOM 1404 CA ILE A 91 0.426 8.622 4.427 1.00 0.00 C ATOM 1405 C ILE A 91 1.803 8.121 4.848 1.00 0.00 C ATOM 1406 O ILE A 91 2.631 8.888 5.340 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.653 7.782 5.135 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -2.028 8.431 4.968 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.314 7.618 6.609 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.137 7.693 5.685 1.00 0.00 C ATOM 0 H ILE A 91 -0.659 8.299 2.662 1.00 0.00 H new ATOM 0 HA ILE A 91 0.316 9.665 4.724 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.681 6.794 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.985 9.455 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.268 8.487 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.086 7.022 7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.648 7.116 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.261 8.599 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.083 8.210 5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.208 6.677 5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.921 7.660 6.753 1.00 0.00 H new ATOM 1422 N LEU A 92 2.042 6.829 4.650 1.00 0.00 N ATOM 1423 CA LEU A 92 3.320 6.224 5.008 1.00 0.00 C ATOM 1424 C LEU A 92 4.480 6.994 4.384 1.00 0.00 C ATOM 1425 O LEU A 92 5.596 6.981 4.901 1.00 0.00 O ATOM 1426 CB LEU A 92 3.360 4.764 4.554 1.00 0.00 C ATOM 1427 CG LEU A 92 2.522 3.783 5.376 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.903 2.348 5.044 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.693 4.052 6.864 1.00 0.00 C ATOM 0 H LEU A 92 1.368 6.181 4.244 1.00 0.00 H new ATOM 0 HA LEU A 92 3.422 6.264 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.025 4.717 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.397 4.428 4.570 1.00 0.00 H new ATOM 0 HG LEU A 92 1.472 3.927 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.297 1.664 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.728 2.161 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.957 2.190 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.090 3.345 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.742 3.936 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.370 5.068 7.089 1.00 0.00 H new ATOM 1441 N GLY A 93 4.207 7.666 3.270 1.00 0.00 N ATOM 1442 CA GLY A 93 5.237 8.434 2.595 1.00 0.00 C ATOM 1443 C GLY A 93 5.573 9.720 3.325 1.00 0.00 C ATOM 1444 O GLY A 93 6.716 10.178 3.296 1.00 0.00 O ATOM 0 H GLY A 93 3.291 7.692 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.137 7.826 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.906 8.670 1.584 1.00 0.00 H new ATOM 1448 N LEU A 94 4.576 10.304 3.979 1.00 0.00 N ATOM 1449 CA LEU A 94 4.770 11.547 4.719 1.00 0.00 C ATOM 1450 C LEU A 94 5.972 11.442 5.653 1.00 0.00 C ATOM 1451 O LEU A 94 6.774 12.370 5.755 1.00 0.00 O ATOM 1452 CB LEU A 94 3.514 11.888 5.521 1.00 0.00 C ATOM 1453 CG LEU A 94 2.407 12.617 4.759 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.044 12.275 5.339 1.00 0.00 C ATOM 1455 CD2 LEU A 94 2.640 14.121 4.791 1.00 0.00 C ATOM 0 H LEU A 94 3.625 9.938 4.013 1.00 0.00 H new ATOM 0 HA LEU A 94 4.960 12.344 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.102 10.962 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.807 12.503 6.372 1.00 0.00 H new ATOM 0 HG LEU A 94 2.429 12.287 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.269 12.803 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.876 11.201 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.008 12.575 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.843 14.624 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.645 14.467 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.599 14.351 4.327 1.00 0.00 H new