USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 537 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 14 GLN : amide:sc= -0.0327 K(o=-0.033,f=-0.7) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 20 ASN : amide:sc= -2.19 K(o=-2.2,f=-8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 28 SER OG : rot 80:sc= 1.41 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.896 K(o=-0.9,f=-3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 45 THR OG1 : rot 65:sc= 0.0872 USER MOD Single : A 46 SER OG : rot -17:sc= -0.468 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc=-0.00349 (180deg=-0.111) USER MOD Single : A 50 TYR OH : rot 100:sc= 1.21 USER MOD Single : A 56 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.9!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 66 MET CE :methyl -114:sc= 0 (180deg=-0.891) USER MOD Single : A 86 MET CE :methyl 147:sc= -2.79 (180deg=-4.67!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 89 MET CE :methyl 168:sc= 0 (180deg=-0.136) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -76:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -6.291 13.499 -0.005 1.00 0.00 N ATOM 127 CA VAL A 9 -5.617 12.215 0.132 1.00 0.00 C ATOM 128 C VAL A 9 -5.857 11.627 1.536 1.00 0.00 C ATOM 129 O VAL A 9 -7.004 11.351 1.882 1.00 0.00 O ATOM 130 CB VAL A 9 -4.110 12.347 -0.229 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.444 13.444 0.591 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.367 11.018 -0.094 1.00 0.00 C ATOM 0 HA VAL A 9 -6.042 11.505 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.054 12.633 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.391 13.514 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.935 14.396 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.529 13.208 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.318 11.159 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.439 10.664 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.813 10.282 -0.764 1.00 0.00 H new ATOM 142 N GLY A 10 -4.819 11.432 2.345 1.00 0.00 N ATOM 143 CA GLY A 10 -5.010 10.842 3.652 1.00 0.00 C ATOM 144 C GLY A 10 -3.702 10.321 4.216 1.00 0.00 C ATOM 145 O GLY A 10 -3.492 10.318 5.429 1.00 0.00 O ATOM 0 H GLY A 10 -3.854 11.672 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.432 11.584 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.730 10.027 3.584 1.00 0.00 H new ATOM 149 N TRP A 11 -2.809 9.907 3.318 1.00 0.00 N ATOM 150 CA TRP A 11 -1.495 9.415 3.703 1.00 0.00 C ATOM 151 C TRP A 11 -0.512 10.582 3.828 1.00 0.00 C ATOM 152 O TRP A 11 -0.652 11.602 3.153 1.00 0.00 O ATOM 153 CB TRP A 11 -1.001 8.354 2.686 1.00 0.00 C ATOM 154 CG TRP A 11 0.484 8.347 2.438 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.420 7.597 3.091 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.198 9.137 1.480 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.672 7.867 2.592 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.561 8.808 1.603 1.00 0.00 C ATOM 159 CE3 TRP A 11 0.816 10.085 0.528 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.543 9.397 0.810 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.791 10.668 -0.258 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.140 10.323 -0.113 1.00 0.00 C ATOM 0 H TRP A 11 -2.978 9.904 2.312 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.562 8.932 4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.299 7.367 3.041 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.511 8.519 1.737 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.208 6.895 3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.542 7.437 2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.222 10.357 0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.584 9.132 0.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.508 11.403 -0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.878 10.798 -0.743 1.00 0.00 H new ATOM 173 N ASP A 12 0.481 10.412 4.690 1.00 0.00 N ATOM 174 CA ASP A 12 1.496 11.437 4.904 1.00 0.00 C ATOM 175 C ASP A 12 2.890 10.887 4.597 1.00 0.00 C ATOM 176 O ASP A 12 3.255 9.810 5.067 1.00 0.00 O ATOM 177 CB ASP A 12 1.443 11.943 6.347 1.00 0.00 C ATOM 178 CG ASP A 12 1.441 13.457 6.431 1.00 0.00 C ATOM 179 OD1 ASP A 12 1.000 14.104 5.458 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.879 13.995 7.470 1.00 0.00 O ATOM 0 H ASP A 12 0.606 9.572 5.254 1.00 0.00 H new ATOM 0 HA ASP A 12 1.291 12.267 4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.548 11.554 6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.299 11.553 6.897 1.00 0.00 H new ATOM 185 N PRO A 13 3.690 11.617 3.797 1.00 0.00 N ATOM 186 CA PRO A 13 5.044 11.184 3.434 1.00 0.00 C ATOM 187 C PRO A 13 5.888 10.836 4.656 1.00 0.00 C ATOM 188 O PRO A 13 6.865 10.094 4.558 1.00 0.00 O ATOM 189 CB PRO A 13 5.627 12.399 2.709 1.00 0.00 C ATOM 190 CG PRO A 13 4.440 13.130 2.184 1.00 0.00 C ATOM 191 CD PRO A 13 3.343 12.914 3.188 1.00 0.00 C ATOM 0 HA PRO A 13 5.032 10.278 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.209 13.023 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.295 12.096 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.657 14.192 2.065 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.151 12.752 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.314 13.712 3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.363 12.886 2.713 1.00 0.00 H new ATOM 199 N GLN A 14 5.504 11.379 5.806 1.00 0.00 N ATOM 200 CA GLN A 14 6.222 11.129 7.048 1.00 0.00 C ATOM 201 C GLN A 14 5.624 9.939 7.791 1.00 0.00 C ATOM 202 O GLN A 14 6.133 8.821 7.704 1.00 0.00 O ATOM 203 CB GLN A 14 6.183 12.371 7.940 1.00 0.00 C ATOM 204 CG GLN A 14 7.525 13.072 8.062 1.00 0.00 C ATOM 205 CD GLN A 14 8.046 13.575 6.730 1.00 0.00 C ATOM 206 OE1 GLN A 14 8.645 12.823 5.962 1.00 0.00 O ATOM 207 NE2 GLN A 14 7.819 14.853 6.451 1.00 0.00 N ATOM 0 H GLN A 14 4.698 11.996 5.903 1.00 0.00 H new ATOM 0 HA GLN A 14 7.258 10.898 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.451 13.073 7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.840 12.084 8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.430 13.911 8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.251 12.384 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.318 15.439 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.146 15.248 5.569 1.00 0.00 H new ATOM 216 N ASN A 15 4.541 10.188 8.519 1.00 0.00 N ATOM 217 CA ASN A 15 3.871 9.136 9.273 1.00 0.00 C ATOM 218 C ASN A 15 3.586 7.929 8.386 1.00 0.00 C ATOM 219 O ASN A 15 3.886 6.792 8.751 1.00 0.00 O ATOM 220 CB ASN A 15 2.565 9.663 9.870 1.00 0.00 C ATOM 221 CG ASN A 15 2.800 10.724 10.927 1.00 0.00 C ATOM 222 OD1 ASN A 15 3.805 10.698 11.637 1.00 0.00 O ATOM 223 ND2 ASN A 15 1.871 11.667 11.035 1.00 0.00 N ATOM 0 H ASN A 15 4.109 11.108 8.603 1.00 0.00 H new ATOM 0 HA ASN A 15 4.533 8.823 10.080 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.946 10.077 9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.008 8.834 10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.975 12.409 11.728 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.053 11.650 10.425 1.00 0.00 H new ATOM 230 N GLY A 16 3.006 8.185 7.218 1.00 0.00 N ATOM 231 CA GLY A 16 2.691 7.110 6.297 1.00 0.00 C ATOM 232 C GLY A 16 1.318 6.519 6.544 1.00 0.00 C ATOM 233 O GLY A 16 0.303 7.105 6.166 1.00 0.00 O ATOM 0 H GLY A 16 2.749 9.117 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.743 7.485 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.443 6.326 6.388 1.00 0.00 H new ATOM 237 N PHE A 17 1.284 5.353 7.181 1.00 0.00 N ATOM 238 CA PHE A 17 0.026 4.678 7.477 1.00 0.00 C ATOM 239 C PHE A 17 -0.439 4.981 8.898 1.00 0.00 C ATOM 240 O PHE A 17 0.375 5.229 9.788 1.00 0.00 O ATOM 241 CB PHE A 17 0.180 3.168 7.294 1.00 0.00 C ATOM 242 CG PHE A 17 0.209 2.734 5.857 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.970 2.527 5.158 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.415 2.527 5.206 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.946 2.126 3.835 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.444 2.126 3.883 1.00 0.00 C ATOM 247 CZ PHE A 17 0.262 1.925 3.198 1.00 0.00 C ATOM 0 H PHE A 17 2.114 4.856 7.502 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.726 5.050 6.782 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.100 2.844 7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.643 2.664 7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.918 2.681 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.342 2.681 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.871 1.970 3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.390 1.970 3.386 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.283 1.611 2.165 1.00 0.00 H new ATOM 257 N ASP A 18 -1.751 4.951 9.104 1.00 0.00 N ATOM 258 CA ASP A 18 -2.327 5.212 10.418 1.00 0.00 C ATOM 259 C ASP A 18 -2.978 3.953 10.980 1.00 0.00 C ATOM 260 O ASP A 18 -4.201 3.813 10.962 1.00 0.00 O ATOM 261 CB ASP A 18 -3.359 6.338 10.331 1.00 0.00 C ATOM 262 CG ASP A 18 -2.847 7.639 10.916 1.00 0.00 C ATOM 263 OD1 ASP A 18 -1.827 8.155 10.413 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.467 8.144 11.876 1.00 0.00 O ATOM 0 H ASP A 18 -2.437 4.748 8.377 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.524 5.518 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.634 6.495 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.265 6.038 10.857 1.00 0.00 H new ATOM 269 N VAL A 19 -2.152 3.036 11.473 1.00 0.00 N ATOM 270 CA VAL A 19 -2.645 1.782 12.030 1.00 0.00 C ATOM 271 C VAL A 19 -3.557 2.026 13.227 1.00 0.00 C ATOM 272 O VAL A 19 -4.425 1.210 13.535 1.00 0.00 O ATOM 273 CB VAL A 19 -1.485 0.863 12.458 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.598 0.533 11.267 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.675 1.507 13.573 1.00 0.00 C ATOM 0 H VAL A 19 -1.137 3.138 11.498 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.216 1.292 11.241 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.905 -0.068 12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.216 -0.117 11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.188 0.025 10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.186 1.454 10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.140 0.843 13.861 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.264 2.454 13.224 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.319 1.686 14.434 1.00 0.00 H new ATOM 285 N ASN A 20 -3.356 3.155 13.899 1.00 0.00 N ATOM 286 CA ASN A 20 -4.167 3.508 15.059 1.00 0.00 C ATOM 287 C ASN A 20 -5.624 3.708 14.658 1.00 0.00 C ATOM 288 O ASN A 20 -6.536 3.466 15.449 1.00 0.00 O ATOM 289 CB ASN A 20 -3.628 4.780 15.718 1.00 0.00 C ATOM 290 CG ASN A 20 -3.634 5.966 14.775 1.00 0.00 C ATOM 291 OD1 ASN A 20 -4.671 6.324 14.215 1.00 0.00 O ATOM 292 ND2 ASN A 20 -2.473 6.584 14.593 1.00 0.00 N ATOM 0 H ASN A 20 -2.639 3.841 13.661 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.113 2.687 15.774 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.230 5.014 16.596 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.611 4.602 16.067 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.416 7.389 13.969 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.638 6.254 15.077 1.00 0.00 H new ATOM 299 N ASN A 21 -5.834 4.147 13.421 1.00 0.00 N ATOM 300 CA ASN A 21 -7.179 4.373 12.907 1.00 0.00 C ATOM 301 C ASN A 21 -7.290 3.915 11.458 1.00 0.00 C ATOM 302 O ASN A 21 -7.854 4.613 10.616 1.00 0.00 O ATOM 303 CB ASN A 21 -7.548 5.855 13.014 1.00 0.00 C ATOM 304 CG ASN A 21 -9.030 6.064 13.256 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.834 6.024 12.325 1.00 0.00 O ATOM 306 ND2 ASN A 21 -9.398 6.289 14.511 1.00 0.00 N ATOM 0 H ASN A 21 -5.089 4.353 12.756 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.874 3.788 13.510 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.982 6.310 13.827 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.256 6.367 12.097 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.382 6.437 14.735 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.697 6.314 15.251 1.00 0.00 H new ATOM 313 N LEU A 22 -6.742 2.738 11.173 1.00 0.00 N ATOM 314 CA LEU A 22 -6.771 2.185 9.826 1.00 0.00 C ATOM 315 C LEU A 22 -8.196 1.847 9.401 1.00 0.00 C ATOM 316 O LEU A 22 -9.021 1.448 10.223 1.00 0.00 O ATOM 317 CB LEU A 22 -5.893 0.935 9.757 1.00 0.00 C ATOM 318 CG LEU A 22 -4.840 0.944 8.647 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.905 -0.247 8.789 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.507 0.946 7.280 1.00 0.00 C ATOM 0 H LEU A 22 -6.272 2.148 11.860 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.383 2.938 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.388 0.811 10.715 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.536 0.065 9.620 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.248 1.855 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.163 -0.224 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.401 -0.201 9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.480 -1.171 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.743 0.952 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.124 0.054 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.132 1.833 7.182 1.00 0.00 H new ATOM 332 N ASP A 23 -8.479 2.006 8.112 1.00 0.00 N ATOM 333 CA ASP A 23 -9.804 1.717 7.575 1.00 0.00 C ATOM 334 C ASP A 23 -10.079 0.212 7.590 1.00 0.00 C ATOM 335 O ASP A 23 -9.365 -0.559 6.950 1.00 0.00 O ATOM 336 CB ASP A 23 -9.922 2.253 6.147 1.00 0.00 C ATOM 337 CG ASP A 23 -11.329 2.704 5.810 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.270 2.298 6.525 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.491 3.464 4.833 1.00 0.00 O ATOM 0 H ASP A 23 -7.807 2.334 7.419 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.543 2.211 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.235 3.090 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.615 1.478 5.445 1.00 0.00 H new ATOM 344 N PRO A 24 -11.122 -0.231 8.319 1.00 0.00 N ATOM 345 CA PRO A 24 -11.470 -1.653 8.409 1.00 0.00 C ATOM 346 C PRO A 24 -11.578 -2.317 7.039 1.00 0.00 C ATOM 347 O PRO A 24 -11.433 -3.533 6.917 1.00 0.00 O ATOM 348 CB PRO A 24 -12.831 -1.640 9.105 1.00 0.00 C ATOM 349 CG PRO A 24 -12.833 -0.387 9.908 1.00 0.00 C ATOM 350 CD PRO A 24 -12.031 0.611 9.118 1.00 0.00 C ATOM 0 HA PRO A 24 -10.708 -2.224 8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.646 -1.648 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.960 -2.517 9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.850 -0.029 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.392 -0.552 10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.669 1.226 8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.480 1.289 9.770 1.00 0.00 H new ATOM 358 N ASP A 25 -11.835 -1.514 6.012 1.00 0.00 N ATOM 359 CA ASP A 25 -11.961 -2.030 4.654 1.00 0.00 C ATOM 360 C ASP A 25 -10.590 -2.336 4.060 1.00 0.00 C ATOM 361 O ASP A 25 -10.290 -3.482 3.722 1.00 0.00 O ATOM 362 CB ASP A 25 -12.703 -1.028 3.770 1.00 0.00 C ATOM 363 CG ASP A 25 -14.153 -1.414 3.550 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.752 -2.014 4.466 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.688 -1.117 2.461 1.00 0.00 O ATOM 0 H ASP A 25 -11.960 -0.505 6.094 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.534 -2.957 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.658 -0.040 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.199 -0.955 2.806 1.00 0.00 H new ATOM 370 N LEU A 26 -9.758 -1.306 3.943 1.00 0.00 N ATOM 371 CA LEU A 26 -8.412 -1.474 3.406 1.00 0.00 C ATOM 372 C LEU A 26 -7.572 -2.375 4.304 1.00 0.00 C ATOM 373 O LEU A 26 -6.639 -3.031 3.842 1.00 0.00 O ATOM 374 CB LEU A 26 -7.735 -0.139 3.225 1.00 0.00 C ATOM 375 CG LEU A 26 -6.973 -0.056 1.915 1.00 0.00 C ATOM 376 CD1 LEU A 26 -7.645 0.917 0.975 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.532 0.306 2.168 1.00 0.00 C ATOM 0 H LEU A 26 -9.991 -0.350 4.212 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.502 -1.951 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.483 0.653 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.049 0.034 4.054 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.984 -1.034 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.086 0.965 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.663 0.583 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.672 1.906 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.999 0.362 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.482 1.273 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.071 -0.454 2.799 1.00 0.00 H new ATOM 389 N ARG A 27 -7.913 -2.408 5.588 1.00 0.00 N ATOM 390 CA ARG A 27 -7.198 -3.244 6.544 1.00 0.00 C ATOM 391 C ARG A 27 -7.170 -4.691 6.067 1.00 0.00 C ATOM 392 O ARG A 27 -6.198 -5.413 6.292 1.00 0.00 O ATOM 393 CB ARG A 27 -7.852 -3.159 7.924 1.00 0.00 C ATOM 394 CG ARG A 27 -6.859 -2.939 9.055 1.00 0.00 C ATOM 395 CD ARG A 27 -7.554 -2.893 10.407 1.00 0.00 C ATOM 396 NE ARG A 27 -6.998 -3.865 11.342 1.00 0.00 N ATOM 397 CZ ARG A 27 -7.117 -3.771 12.664 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.772 -2.751 13.201 1.00 0.00 N ATOM 399 NH2 ARG A 27 -6.582 -4.697 13.447 1.00 0.00 N ATOM 0 H ARG A 27 -8.679 -1.867 5.989 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.174 -2.879 6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.577 -2.345 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.406 -4.079 8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.120 -3.740 9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.319 -2.006 8.890 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.462 -1.892 10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.618 -3.086 10.274 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.489 -4.662 10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.185 -2.037 12.601 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.863 -2.680 14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.078 -5.483 13.036 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.674 -4.623 14.460 1.00 0.00 H new ATOM 413 N SER A 28 -8.242 -5.105 5.398 1.00 0.00 N ATOM 414 CA SER A 28 -8.339 -6.460 4.870 1.00 0.00 C ATOM 415 C SER A 28 -7.537 -6.590 3.581 1.00 0.00 C ATOM 416 O SER A 28 -7.005 -7.656 3.272 1.00 0.00 O ATOM 417 CB SER A 28 -9.802 -6.827 4.614 1.00 0.00 C ATOM 418 OG SER A 28 -10.656 -5.725 4.870 1.00 0.00 O ATOM 0 H SER A 28 -9.056 -4.520 5.209 1.00 0.00 H new ATOM 0 HA SER A 28 -7.926 -7.146 5.609 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.923 -7.153 3.581 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.086 -7.667 5.248 1.00 0.00 H new ATOM 0 HG SER A 28 -10.639 -5.113 4.104 1.00 0.00 H new ATOM 424 N LEU A 29 -7.452 -5.494 2.832 1.00 0.00 N ATOM 425 CA LEU A 29 -6.706 -5.478 1.580 1.00 0.00 C ATOM 426 C LEU A 29 -5.239 -5.825 1.820 1.00 0.00 C ATOM 427 O LEU A 29 -4.547 -6.295 0.917 1.00 0.00 O ATOM 428 CB LEU A 29 -6.818 -4.104 0.912 1.00 0.00 C ATOM 429 CG LEU A 29 -6.861 -4.130 -0.617 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.275 -2.771 -1.160 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.512 -4.546 -1.182 1.00 0.00 C ATOM 0 H LEU A 29 -7.891 -4.605 3.072 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.135 -6.230 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.719 -3.611 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.971 -3.494 1.226 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.603 -4.865 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.301 -2.807 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.265 -2.514 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.557 -2.017 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.562 -4.559 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.749 -3.836 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.257 -5.541 -0.819 1.00 0.00 H new ATOM 443 N PHE A 30 -4.772 -5.593 3.044 1.00 0.00 N ATOM 444 CA PHE A 30 -3.390 -5.886 3.404 1.00 0.00 C ATOM 445 C PHE A 30 -3.236 -7.344 3.823 1.00 0.00 C ATOM 446 O PHE A 30 -2.463 -8.094 3.227 1.00 0.00 O ATOM 447 CB PHE A 30 -2.933 -4.971 4.541 1.00 0.00 C ATOM 448 CG PHE A 30 -2.858 -3.523 4.154 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.287 -3.144 2.951 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.359 -2.542 4.995 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.215 -1.810 2.593 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.291 -1.208 4.642 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.718 -0.842 3.440 1.00 0.00 C ATOM 0 H PHE A 30 -5.331 -5.203 3.802 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.767 -5.708 2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.619 -5.079 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.952 -5.297 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.894 -3.898 2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.807 -2.823 5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.766 -1.526 1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.685 -0.452 5.305 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.663 0.200 3.163 1.00 0.00 H new ATOM 463 N SER A 31 -3.971 -7.734 4.859 1.00 0.00 N ATOM 464 CA SER A 31 -3.919 -9.101 5.361 1.00 0.00 C ATOM 465 C SER A 31 -4.210 -10.103 4.248 1.00 0.00 C ATOM 466 O SER A 31 -3.799 -11.261 4.319 1.00 0.00 O ATOM 467 CB SER A 31 -4.925 -9.284 6.500 1.00 0.00 C ATOM 468 OG SER A 31 -4.310 -9.078 7.760 1.00 0.00 O ATOM 0 H SER A 31 -4.610 -7.122 5.367 1.00 0.00 H new ATOM 0 HA SER A 31 -2.913 -9.285 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.751 -8.584 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.349 -10.287 6.458 1.00 0.00 H new ATOM 0 HG SER A 31 -4.973 -9.199 8.471 1.00 0.00 H new ATOM 474 N ARG A 32 -4.918 -9.648 3.218 1.00 0.00 N ATOM 475 CA ARG A 32 -5.263 -10.505 2.091 1.00 0.00 C ATOM 476 C ARG A 32 -4.175 -10.466 1.023 1.00 0.00 C ATOM 477 O ARG A 32 -3.885 -11.476 0.382 1.00 0.00 O ATOM 478 CB ARG A 32 -6.601 -10.075 1.489 1.00 0.00 C ATOM 479 CG ARG A 32 -7.801 -10.457 2.340 1.00 0.00 C ATOM 480 CD ARG A 32 -9.060 -10.593 1.500 1.00 0.00 C ATOM 481 NE ARG A 32 -9.764 -11.844 1.767 1.00 0.00 N ATOM 482 CZ ARG A 32 -10.398 -12.105 2.906 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.411 -11.205 3.881 1.00 0.00 N ATOM 484 NH2 ARG A 32 -11.017 -13.265 3.073 1.00 0.00 N ATOM 0 H ARG A 32 -5.263 -8.691 3.142 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.349 -11.528 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.596 -8.994 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.708 -10.525 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.600 -11.398 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.957 -9.702 3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.724 -9.753 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.798 -10.543 0.443 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.770 -12.558 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.934 -10.312 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.898 -11.406 4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.008 -13.960 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.503 -13.463 3.948 1.00 0.00 H new ATOM 498 N ALA A 33 -3.574 -9.295 0.835 1.00 0.00 N ATOM 499 CA ALA A 33 -2.512 -9.134 -0.153 1.00 0.00 C ATOM 500 C ALA A 33 -1.181 -9.649 0.384 1.00 0.00 C ATOM 501 O ALA A 33 -0.286 -10.001 -0.384 1.00 0.00 O ATOM 502 CB ALA A 33 -2.389 -7.675 -0.568 1.00 0.00 C ATOM 0 H ALA A 33 -3.803 -8.446 1.352 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.774 -9.726 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.593 -7.572 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.331 -7.340 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.155 -7.067 0.306 1.00 0.00 H new ATOM 508 N GLY A 34 -1.057 -9.695 1.708 1.00 0.00 N ATOM 509 CA GLY A 34 0.167 -10.173 2.323 1.00 0.00 C ATOM 510 C GLY A 34 0.987 -9.055 2.936 1.00 0.00 C ATOM 511 O GLY A 34 2.213 -9.042 2.825 1.00 0.00 O ATOM 0 H GLY A 34 -1.783 -9.409 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.079 -10.903 3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.767 -10.690 1.575 1.00 0.00 H new ATOM 515 N ILE A 35 0.310 -8.116 3.589 1.00 0.00 N ATOM 516 CA ILE A 35 0.983 -6.991 4.225 1.00 0.00 C ATOM 517 C ILE A 35 0.612 -6.891 5.700 1.00 0.00 C ATOM 518 O ILE A 35 -0.530 -7.149 6.081 1.00 0.00 O ATOM 519 CB ILE A 35 0.640 -5.661 3.529 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.908 -5.764 2.026 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.439 -4.520 4.138 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.680 -4.468 1.280 1.00 0.00 C ATOM 0 H ILE A 35 -0.705 -8.113 3.691 1.00 0.00 H new ATOM 0 HA ILE A 35 2.054 -7.172 4.134 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.420 -5.454 3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.937 -6.087 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.265 -6.535 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.184 -3.588 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.202 -4.436 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.504 -4.717 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.889 -4.616 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.356 -4.154 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.343 -3.699 1.676 1.00 0.00 H new ATOM 534 N SER A 36 1.582 -6.518 6.528 1.00 0.00 N ATOM 535 CA SER A 36 1.355 -6.389 7.963 1.00 0.00 C ATOM 536 C SER A 36 1.736 -4.996 8.455 1.00 0.00 C ATOM 537 O SER A 36 2.122 -4.132 7.669 1.00 0.00 O ATOM 538 CB SER A 36 2.159 -7.446 8.722 1.00 0.00 C ATOM 539 OG SER A 36 3.064 -8.116 7.863 1.00 0.00 O ATOM 0 H SER A 36 2.533 -6.300 6.230 1.00 0.00 H new ATOM 0 HA SER A 36 0.292 -6.541 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.709 -6.973 9.536 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.479 -8.169 9.174 1.00 0.00 H new ATOM 0 HG SER A 36 3.566 -8.785 8.374 1.00 0.00 H new ATOM 545 N GLU A 37 1.623 -4.787 9.762 1.00 0.00 N ATOM 546 CA GLU A 37 1.949 -3.500 10.365 1.00 0.00 C ATOM 547 C GLU A 37 3.359 -3.060 9.987 1.00 0.00 C ATOM 548 O GLU A 37 3.594 -1.891 9.678 1.00 0.00 O ATOM 549 CB GLU A 37 1.820 -3.580 11.887 1.00 0.00 C ATOM 550 CG GLU A 37 0.986 -2.459 12.488 1.00 0.00 C ATOM 551 CD GLU A 37 0.164 -2.916 13.677 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.714 -2.958 14.798 1.00 0.00 O ATOM 553 OE2 GLU A 37 -1.030 -3.232 13.487 1.00 0.00 O ATOM 0 H GLU A 37 1.307 -5.494 10.426 1.00 0.00 H new ATOM 0 HA GLU A 37 1.244 -2.761 9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.374 -4.537 12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.816 -3.558 12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.644 -1.647 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.321 -2.057 11.724 1.00 0.00 H new ATOM 560 N ALA A 38 4.297 -4.000 10.018 1.00 0.00 N ATOM 561 CA ALA A 38 5.685 -3.708 9.681 1.00 0.00 C ATOM 562 C ALA A 38 5.785 -2.981 8.345 1.00 0.00 C ATOM 563 O ALA A 38 6.525 -2.006 8.210 1.00 0.00 O ATOM 564 CB ALA A 38 6.501 -4.992 9.647 1.00 0.00 C ATOM 0 H ALA A 38 4.121 -4.972 10.273 1.00 0.00 H new ATOM 0 HA ALA A 38 6.090 -3.053 10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.535 -4.759 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.466 -5.472 10.625 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.087 -5.666 8.897 1.00 0.00 H new ATOM 570 N GLN A 39 5.038 -3.464 7.357 1.00 0.00 N ATOM 571 CA GLN A 39 5.047 -2.863 6.028 1.00 0.00 C ATOM 572 C GLN A 39 4.310 -1.528 6.023 1.00 0.00 C ATOM 573 O GLN A 39 4.551 -0.680 5.163 1.00 0.00 O ATOM 574 CB GLN A 39 4.410 -3.815 5.013 1.00 0.00 C ATOM 575 CG GLN A 39 5.380 -4.844 4.454 1.00 0.00 C ATOM 576 CD GLN A 39 5.901 -5.794 5.515 1.00 0.00 C ATOM 577 OE1 GLN A 39 6.641 -5.395 6.413 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.515 -7.061 5.415 1.00 0.00 N ATOM 0 H GLN A 39 4.419 -4.269 7.452 1.00 0.00 H new ATOM 0 HA GLN A 39 6.085 -2.681 5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.576 -4.333 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.997 -3.232 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.884 -5.417 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.221 -4.330 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.900 -7.348 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.833 -7.747 6.100 1.00 0.00 H new ATOM 587 N LEU A 40 3.413 -1.344 6.988 1.00 0.00 N ATOM 588 CA LEU A 40 2.643 -0.110 7.088 1.00 0.00 C ATOM 589 C LEU A 40 3.381 0.931 7.923 1.00 0.00 C ATOM 590 O LEU A 40 3.196 2.134 7.740 1.00 0.00 O ATOM 591 CB LEU A 40 1.270 -0.391 7.701 1.00 0.00 C ATOM 592 CG LEU A 40 0.438 -1.445 6.969 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.803 -1.796 7.775 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.055 -0.954 5.580 1.00 0.00 C ATOM 0 H LEU A 40 3.202 -2.033 7.710 1.00 0.00 H new ATOM 0 HA LEU A 40 2.512 0.288 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.409 -0.712 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.704 0.540 7.730 1.00 0.00 H new ATOM 0 HG LEU A 40 1.042 -2.346 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.384 -2.547 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.506 -2.191 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.410 -0.902 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.537 -1.717 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.531 -0.039 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.958 -0.754 5.003 1.00 0.00 H new ATOM 606 N THR A 41 4.216 0.460 8.843 1.00 0.00 N ATOM 607 CA THR A 41 4.980 1.351 9.708 1.00 0.00 C ATOM 608 C THR A 41 6.251 1.828 9.015 1.00 0.00 C ATOM 609 O THR A 41 6.594 3.009 9.068 1.00 0.00 O ATOM 610 CB THR A 41 5.333 0.645 11.019 1.00 0.00 C ATOM 611 OG1 THR A 41 6.165 -0.476 10.775 1.00 0.00 O ATOM 612 CG2 THR A 41 4.122 0.162 11.784 1.00 0.00 C ATOM 0 H THR A 41 4.381 -0.533 9.009 1.00 0.00 H new ATOM 0 HA THR A 41 4.361 2.221 9.927 1.00 0.00 H new ATOM 0 HB THR A 41 5.846 1.394 11.622 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.381 -0.914 11.625 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.444 -0.329 12.702 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.485 1.011 12.031 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.563 -0.545 11.171 1.00 0.00 H new ATOM 620 N ASP A 42 6.947 0.902 8.364 1.00 0.00 N ATOM 621 CA ASP A 42 8.181 1.227 7.659 1.00 0.00 C ATOM 622 C ASP A 42 7.968 2.394 6.699 1.00 0.00 C ATOM 623 O ASP A 42 7.009 2.407 5.927 1.00 0.00 O ATOM 624 CB ASP A 42 8.690 0.006 6.890 1.00 0.00 C ATOM 625 CG ASP A 42 10.198 0.000 6.747 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.708 0.633 5.800 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.871 -0.640 7.584 1.00 0.00 O ATOM 0 H ASP A 42 6.677 -0.080 8.310 1.00 0.00 H new ATOM 0 HA ASP A 42 8.927 1.519 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.373 -0.901 7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.234 -0.012 5.900 1.00 0.00 H new ATOM 632 N ALA A 43 8.865 3.371 6.753 1.00 0.00 N ATOM 633 CA ALA A 43 8.773 4.543 5.890 1.00 0.00 C ATOM 634 C ALA A 43 9.198 4.208 4.464 1.00 0.00 C ATOM 635 O ALA A 43 8.467 4.470 3.510 1.00 0.00 O ATOM 636 CB ALA A 43 9.621 5.677 6.445 1.00 0.00 C ATOM 0 H ALA A 43 9.665 3.375 7.386 1.00 0.00 H new ATOM 0 HA ALA A 43 7.732 4.864 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.542 6.545 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.268 5.941 7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.662 5.359 6.502 1.00 0.00 H new ATOM 642 N GLU A 44 10.385 3.627 4.327 1.00 0.00 N ATOM 643 CA GLU A 44 10.910 3.257 3.018 1.00 0.00 C ATOM 644 C GLU A 44 9.923 2.372 2.264 1.00 0.00 C ATOM 645 O GLU A 44 9.856 2.408 1.034 1.00 0.00 O ATOM 646 CB GLU A 44 12.250 2.532 3.170 1.00 0.00 C ATOM 647 CG GLU A 44 13.392 3.198 2.419 1.00 0.00 C ATOM 648 CD GLU A 44 13.487 4.685 2.702 1.00 0.00 C ATOM 649 OE1 GLU A 44 13.913 5.050 3.817 1.00 0.00 O ATOM 650 OE2 GLU A 44 13.135 5.483 1.808 1.00 0.00 O ATOM 0 H GLU A 44 11.002 3.402 5.107 1.00 0.00 H new ATOM 0 HA GLU A 44 11.061 4.171 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.506 2.477 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.141 1.507 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.331 2.719 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.257 3.043 1.348 1.00 0.00 H new ATOM 657 N THR A 45 9.165 1.572 3.006 1.00 0.00 N ATOM 658 CA THR A 45 8.190 0.667 2.406 1.00 0.00 C ATOM 659 C THR A 45 6.841 1.353 2.221 1.00 0.00 C ATOM 660 O THR A 45 6.215 1.238 1.169 1.00 0.00 O ATOM 661 CB THR A 45 8.024 -0.582 3.275 1.00 0.00 C ATOM 662 OG1 THR A 45 9.286 -1.074 3.690 1.00 0.00 O ATOM 663 CG2 THR A 45 7.299 -1.708 2.572 1.00 0.00 C ATOM 0 H THR A 45 9.207 1.531 4.024 1.00 0.00 H new ATOM 0 HA THR A 45 8.562 0.376 1.424 1.00 0.00 H new ATOM 0 HB THR A 45 7.424 -0.264 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.718 -0.416 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.215 -2.562 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.302 -1.375 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.856 -2.000 1.682 1.00 0.00 H new ATOM 671 N SER A 46 6.392 2.062 3.251 1.00 0.00 N ATOM 672 CA SER A 46 5.108 2.754 3.204 1.00 0.00 C ATOM 673 C SER A 46 4.941 3.536 1.904 1.00 0.00 C ATOM 674 O SER A 46 3.877 3.516 1.288 1.00 0.00 O ATOM 675 CB SER A 46 4.975 3.699 4.399 1.00 0.00 C ATOM 676 OG SER A 46 6.085 4.576 4.481 1.00 0.00 O ATOM 0 H SER A 46 6.898 2.173 4.130 1.00 0.00 H new ATOM 0 HA SER A 46 4.322 2.000 3.248 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.056 4.278 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.897 3.119 5.319 1.00 0.00 H new ATOM 0 HG SER A 46 6.821 4.223 3.939 1.00 0.00 H new ATOM 682 N LYS A 47 6.002 4.222 1.493 1.00 0.00 N ATOM 683 CA LYS A 47 5.969 5.027 0.276 1.00 0.00 C ATOM 684 C LYS A 47 5.634 4.178 -0.948 1.00 0.00 C ATOM 685 O LYS A 47 4.668 4.458 -1.658 1.00 0.00 O ATOM 686 CB LYS A 47 7.315 5.725 0.072 1.00 0.00 C ATOM 687 CG LYS A 47 7.190 7.151 -0.440 1.00 0.00 C ATOM 688 CD LYS A 47 8.528 7.689 -0.919 1.00 0.00 C ATOM 689 CE LYS A 47 8.366 9.000 -1.670 1.00 0.00 C ATOM 690 NZ LYS A 47 7.747 8.802 -3.008 1.00 0.00 N ATOM 0 H LYS A 47 6.896 4.237 1.984 1.00 0.00 H new ATOM 0 HA LYS A 47 5.185 5.775 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.857 5.734 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.912 5.146 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.470 7.184 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.802 7.791 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.188 7.837 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.006 6.954 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.750 9.681 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.341 9.473 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.838 9.675 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.229 8.024 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.740 8.568 -2.894 1.00 0.00 H new ATOM 704 N LEU A 48 6.437 3.148 -1.197 1.00 0.00 N ATOM 705 CA LEU A 48 6.217 2.278 -2.348 1.00 0.00 C ATOM 706 C LEU A 48 4.805 1.696 -2.325 1.00 0.00 C ATOM 707 O LEU A 48 4.233 1.380 -3.368 1.00 0.00 O ATOM 708 CB LEU A 48 7.269 1.156 -2.386 1.00 0.00 C ATOM 709 CG LEU A 48 6.918 -0.121 -1.611 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.984 -1.000 -2.429 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.181 -0.882 -1.236 1.00 0.00 C ATOM 0 H LEU A 48 7.241 2.896 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 48 6.322 2.876 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.448 0.888 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.206 1.550 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 48 6.405 0.163 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.745 -1.901 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.066 -0.453 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.471 -1.276 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.912 -1.785 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.723 -1.156 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.813 -0.252 -0.611 1.00 0.00 H new ATOM 723 N ILE A 49 4.252 1.557 -1.125 1.00 0.00 N ATOM 724 CA ILE A 49 2.910 1.015 -0.956 1.00 0.00 C ATOM 725 C ILE A 49 1.848 2.073 -1.226 1.00 0.00 C ATOM 726 O ILE A 49 0.696 1.743 -1.507 1.00 0.00 O ATOM 727 CB ILE A 49 2.705 0.443 0.463 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.735 -0.650 0.750 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.293 -0.101 0.627 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.673 -1.184 2.165 1.00 0.00 C ATOM 0 H ILE A 49 4.715 1.813 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 49 2.805 0.208 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 49 2.845 1.251 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.582 -1.474 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.734 -0.255 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.171 -0.499 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.573 0.701 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.122 -0.895 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.432 -1.956 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.856 -0.372 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.687 -1.610 2.350 1.00 0.00 H new ATOM 742 N TYR A 50 2.227 3.346 -1.138 1.00 0.00 N ATOM 743 CA TYR A 50 1.266 4.415 -1.364 1.00 0.00 C ATOM 744 C TYR A 50 0.907 4.505 -2.846 1.00 0.00 C ATOM 745 O TYR A 50 -0.214 4.868 -3.200 1.00 0.00 O ATOM 746 CB TYR A 50 1.776 5.768 -0.791 1.00 0.00 C ATOM 747 CG TYR A 50 1.952 6.885 -1.807 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.892 6.775 -2.824 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.154 8.025 -1.769 1.00 0.00 C ATOM 750 CE1 TYR A 50 3.048 7.777 -3.762 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.307 9.031 -2.704 1.00 0.00 C ATOM 752 CZ TYR A 50 2.255 8.903 -3.698 1.00 0.00 C ATOM 753 OH TYR A 50 2.408 9.903 -4.631 1.00 0.00 O ATOM 0 H TYR A 50 3.173 3.655 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 50 0.351 4.179 -0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.077 6.104 -0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.732 5.596 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.511 5.892 -2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.405 8.125 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.788 7.679 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.687 9.914 -2.657 1.00 0.00 H new ATOM 0 HH TYR A 50 1.708 9.825 -5.312 1.00 0.00 H new ATOM 763 N ASP A 51 1.851 4.143 -3.704 1.00 0.00 N ATOM 764 CA ASP A 51 1.598 4.144 -5.135 1.00 0.00 C ATOM 765 C ASP A 51 0.366 3.298 -5.452 1.00 0.00 C ATOM 766 O ASP A 51 -0.274 3.483 -6.487 1.00 0.00 O ATOM 767 CB ASP A 51 2.816 3.612 -5.895 1.00 0.00 C ATOM 768 CG ASP A 51 4.115 4.224 -5.407 1.00 0.00 C ATOM 769 OD1 ASP A 51 4.295 5.448 -5.578 1.00 0.00 O ATOM 770 OD2 ASP A 51 4.952 3.480 -4.854 1.00 0.00 O ATOM 0 H ASP A 51 2.790 3.848 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 51 1.412 5.170 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.864 2.529 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.697 3.820 -6.958 1.00 0.00 H new ATOM 775 N PHE A 52 0.016 2.393 -4.535 1.00 0.00 N ATOM 776 CA PHE A 52 -1.142 1.526 -4.716 1.00 0.00 C ATOM 777 C PHE A 52 -2.436 2.234 -4.310 1.00 0.00 C ATOM 778 O PHE A 52 -3.328 2.417 -5.139 1.00 0.00 O ATOM 779 CB PHE A 52 -0.968 0.239 -3.906 1.00 0.00 C ATOM 780 CG PHE A 52 -2.171 -0.659 -3.943 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.322 -1.594 -4.955 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.155 -0.565 -2.971 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.428 -2.421 -4.995 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.264 -1.391 -3.006 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.400 -2.319 -4.019 1.00 0.00 C ATOM 0 H PHE A 52 0.520 2.244 -3.661 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.214 1.276 -5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.105 -0.307 -4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.749 0.498 -2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.566 -1.677 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.055 0.161 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.532 -3.146 -5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.023 -1.310 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.265 -2.964 -4.048 1.00 0.00 H new ATOM 795 N ILE A 53 -2.545 2.631 -3.040 1.00 0.00 N ATOM 796 CA ILE A 53 -3.744 3.334 -2.578 1.00 0.00 C ATOM 797 C ILE A 53 -3.884 4.683 -3.282 1.00 0.00 C ATOM 798 O ILE A 53 -4.969 5.262 -3.321 1.00 0.00 O ATOM 799 CB ILE A 53 -3.839 3.485 -1.028 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.232 2.268 -0.328 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.296 3.651 -0.620 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.340 2.333 1.177 1.00 0.00 C ATOM 0 H ILE A 53 -1.833 2.482 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.588 2.701 -2.853 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.276 4.368 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.731 1.366 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.182 2.182 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.361 3.756 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.708 4.540 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.864 2.775 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.891 1.440 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.817 3.217 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.390 2.388 1.464 1.00 0.00 H new ATOM 814 N GLU A 54 -2.785 5.168 -3.865 1.00 0.00 N ATOM 815 CA GLU A 54 -2.798 6.435 -4.587 1.00 0.00 C ATOM 816 C GLU A 54 -3.283 6.247 -6.023 1.00 0.00 C ATOM 817 O GLU A 54 -3.969 7.107 -6.575 1.00 0.00 O ATOM 818 CB GLU A 54 -1.400 7.058 -4.590 1.00 0.00 C ATOM 819 CG GLU A 54 -1.385 8.517 -5.013 1.00 0.00 C ATOM 820 CD GLU A 54 -0.457 8.774 -6.184 1.00 0.00 C ATOM 821 OE1 GLU A 54 0.774 8.669 -6.000 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.961 9.082 -7.284 1.00 0.00 O ATOM 0 H GLU A 54 -1.878 4.701 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.490 7.104 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.972 6.974 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.758 6.487 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.396 8.824 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.078 9.133 -4.168 1.00 0.00 H new ATOM 829 N ASP A 55 -2.909 5.121 -6.626 1.00 0.00 N ATOM 830 CA ASP A 55 -3.280 4.828 -8.008 1.00 0.00 C ATOM 831 C ASP A 55 -4.650 4.161 -8.094 1.00 0.00 C ATOM 832 O ASP A 55 -5.409 4.401 -9.032 1.00 0.00 O ATOM 833 CB ASP A 55 -2.229 3.923 -8.653 1.00 0.00 C ATOM 834 CG ASP A 55 -1.032 4.700 -9.168 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.797 5.823 -8.674 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.329 4.184 -10.062 1.00 0.00 O ATOM 0 H ASP A 55 -2.349 4.396 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.330 5.776 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.893 3.185 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.684 3.373 -9.477 1.00 0.00 H new ATOM 841 N GLN A 56 -4.954 3.313 -7.118 1.00 0.00 N ATOM 842 CA GLN A 56 -6.224 2.593 -7.099 1.00 0.00 C ATOM 843 C GLN A 56 -7.410 3.554 -7.169 1.00 0.00 C ATOM 844 O GLN A 56 -8.518 3.159 -7.533 1.00 0.00 O ATOM 845 CB GLN A 56 -6.326 1.737 -5.835 1.00 0.00 C ATOM 846 CG GLN A 56 -5.544 0.437 -5.916 1.00 0.00 C ATOM 847 CD GLN A 56 -6.036 -0.472 -7.025 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.239 -0.611 -7.242 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.103 -1.097 -7.735 1.00 0.00 N ATOM 0 H GLN A 56 -4.340 3.107 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.255 1.949 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.966 2.316 -4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.375 1.509 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.489 0.661 -6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.617 -0.087 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.116 -0.952 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.373 -1.721 -8.495 1.00 0.00 H new ATOM 858 N GLY A 57 -7.171 4.816 -6.827 1.00 0.00 N ATOM 859 CA GLY A 57 -8.235 5.802 -6.846 1.00 0.00 C ATOM 860 C GLY A 57 -8.424 6.467 -5.498 1.00 0.00 C ATOM 861 O GLY A 57 -8.996 7.553 -5.407 1.00 0.00 O ATOM 0 H GLY A 57 -6.260 5.173 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.011 6.561 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.167 5.323 -7.146 1.00 0.00 H new ATOM 865 N GLY A 58 -7.939 5.811 -4.450 1.00 0.00 N ATOM 866 CA GLY A 58 -8.069 6.348 -3.112 1.00 0.00 C ATOM 867 C GLY A 58 -8.471 5.289 -2.110 1.00 0.00 C ATOM 868 O GLY A 58 -9.171 4.339 -2.450 1.00 0.00 O ATOM 0 H GLY A 58 -7.457 4.914 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.122 6.794 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.811 7.146 -3.113 1.00 0.00 H new ATOM 872 N LEU A 59 -8.015 5.446 -0.877 1.00 0.00 N ATOM 873 CA LEU A 59 -8.317 4.492 0.183 1.00 0.00 C ATOM 874 C LEU A 59 -9.809 4.490 0.499 1.00 0.00 C ATOM 875 O LEU A 59 -10.471 3.455 0.412 1.00 0.00 O ATOM 876 CB LEU A 59 -7.515 4.887 1.417 1.00 0.00 C ATOM 877 CG LEU A 59 -8.055 4.399 2.761 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.923 4.227 3.761 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.094 5.379 3.284 1.00 0.00 C ATOM 0 H LEU A 59 -7.431 6.229 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.047 3.486 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.499 4.510 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.450 5.975 1.449 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.529 3.427 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.327 3.879 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.209 3.496 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.420 5.182 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.476 5.027 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.636 6.360 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.915 5.454 2.571 1.00 0.00 H new ATOM 891 N GLU A 60 -10.342 5.664 0.821 1.00 0.00 N ATOM 892 CA GLU A 60 -11.770 5.803 1.063 1.00 0.00 C ATOM 893 C GLU A 60 -12.498 5.564 -0.245 1.00 0.00 C ATOM 894 O GLU A 60 -13.585 4.986 -0.285 1.00 0.00 O ATOM 895 CB GLU A 60 -12.094 7.194 1.610 1.00 0.00 C ATOM 896 CG GLU A 60 -11.709 8.323 0.668 1.00 0.00 C ATOM 897 CD GLU A 60 -12.320 9.651 1.068 1.00 0.00 C ATOM 898 OE1 GLU A 60 -13.275 9.647 1.874 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.844 10.696 0.577 1.00 0.00 O ATOM 0 H GLU A 60 -9.808 6.528 0.920 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.091 5.075 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.162 7.254 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.576 7.332 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.623 8.419 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.027 8.071 -0.344 1.00 0.00 H new ATOM 906 N ALA A 61 -11.839 5.970 -1.322 1.00 0.00 N ATOM 907 CA ALA A 61 -12.329 5.756 -2.664 1.00 0.00 C ATOM 908 C ALA A 61 -12.397 4.259 -2.961 1.00 0.00 C ATOM 909 O ALA A 61 -13.229 3.804 -3.746 1.00 0.00 O ATOM 910 CB ALA A 61 -11.407 6.476 -3.636 1.00 0.00 C ATOM 0 H ALA A 61 -10.945 6.459 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.337 6.157 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.763 6.325 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.400 7.542 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.397 6.078 -3.542 1.00 0.00 H new ATOM 916 N VAL A 62 -11.531 3.497 -2.290 1.00 0.00 N ATOM 917 CA VAL A 62 -11.507 2.044 -2.416 1.00 0.00 C ATOM 918 C VAL A 62 -12.556 1.432 -1.487 1.00 0.00 C ATOM 919 O VAL A 62 -13.245 0.479 -1.851 1.00 0.00 O ATOM 920 CB VAL A 62 -10.099 1.477 -2.081 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.131 -0.025 -1.804 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.127 1.783 -3.211 1.00 0.00 C ATOM 0 H VAL A 62 -10.831 3.870 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.738 1.782 -3.448 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.761 1.967 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.124 -0.374 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.786 -0.225 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.506 -0.549 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.144 1.381 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.485 1.326 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.054 2.862 -3.346 1.00 0.00 H new ATOM 932 N ARG A 63 -12.665 1.993 -0.287 1.00 0.00 N ATOM 933 CA ARG A 63 -13.632 1.523 0.691 1.00 0.00 C ATOM 934 C ARG A 63 -15.024 1.464 0.077 1.00 0.00 C ATOM 935 O ARG A 63 -15.827 0.592 0.413 1.00 0.00 O ATOM 936 CB ARG A 63 -13.634 2.444 1.912 1.00 0.00 C ATOM 937 CG ARG A 63 -14.733 2.129 2.912 1.00 0.00 C ATOM 938 CD ARG A 63 -14.472 2.792 4.254 1.00 0.00 C ATOM 939 NE ARG A 63 -15.636 2.730 5.132 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.652 3.221 6.367 1.00 0.00 C ATOM 941 NH1 ARG A 63 -14.572 3.807 6.865 1.00 0.00 N ATOM 942 NH2 ARG A 63 -16.751 3.126 7.106 1.00 0.00 N ATOM 0 H ARG A 63 -12.093 2.776 0.029 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.349 0.519 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.668 2.372 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.744 3.476 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.692 2.467 2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.806 1.050 3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.626 2.306 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.193 3.834 4.095 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.483 2.286 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.726 3.882 6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.587 4.183 7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.584 2.676 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.762 3.503 8.054 1.00 0.00 H new ATOM 956 N GLN A 64 -15.297 2.388 -0.838 1.00 0.00 N ATOM 957 CA GLN A 64 -16.586 2.431 -1.517 1.00 0.00 C ATOM 958 C GLN A 64 -16.768 1.202 -2.403 1.00 0.00 C ATOM 959 O GLN A 64 -17.887 0.738 -2.615 1.00 0.00 O ATOM 960 CB GLN A 64 -16.702 3.703 -2.359 1.00 0.00 C ATOM 961 CG GLN A 64 -16.750 4.977 -1.533 1.00 0.00 C ATOM 962 CD GLN A 64 -16.300 6.196 -2.313 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.542 6.302 -3.515 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.639 7.125 -1.631 1.00 0.00 N ATOM 0 H GLN A 64 -14.643 3.116 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.370 2.435 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.854 3.755 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.602 3.643 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.767 5.135 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.117 4.859 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.460 6.996 -0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.310 7.967 -2.103 1.00 0.00 H new ATOM 973 N GLU A 65 -15.657 0.679 -2.912 1.00 0.00 N ATOM 974 CA GLU A 65 -15.689 -0.498 -3.771 1.00 0.00 C ATOM 975 C GLU A 65 -15.700 -1.778 -2.942 1.00 0.00 C ATOM 976 O GLU A 65 -16.539 -2.655 -3.146 1.00 0.00 O ATOM 977 CB GLU A 65 -14.484 -0.500 -4.714 1.00 0.00 C ATOM 978 CG GLU A 65 -14.537 -1.596 -5.767 1.00 0.00 C ATOM 979 CD GLU A 65 -15.348 -1.197 -6.983 1.00 0.00 C ATOM 980 OE1 GLU A 65 -15.932 -0.092 -6.970 1.00 0.00 O ATOM 981 OE2 GLU A 65 -15.400 -1.987 -7.948 1.00 0.00 O ATOM 0 H GLU A 65 -14.723 1.053 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.605 -0.460 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.421 0.468 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.573 -0.616 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.522 -1.846 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.967 -2.496 -5.328 1.00 0.00 H new ATOM 988 N MET A 66 -14.762 -1.879 -2.006 1.00 0.00 N ATOM 989 CA MET A 66 -14.666 -3.052 -1.144 1.00 0.00 C ATOM 990 C MET A 66 -16.013 -3.365 -0.501 1.00 0.00 C ATOM 991 O MET A 66 -16.387 -4.528 -0.355 1.00 0.00 O ATOM 992 CB MET A 66 -13.610 -2.826 -0.058 1.00 0.00 C ATOM 993 CG MET A 66 -12.439 -3.792 -0.140 1.00 0.00 C ATOM 994 SD MET A 66 -11.971 -4.453 1.471 1.00 0.00 S ATOM 995 CE MET A 66 -11.031 -5.898 0.983 1.00 0.00 C ATOM 0 H MET A 66 -14.058 -1.164 -1.825 1.00 0.00 H new ATOM 0 HA MET A 66 -14.370 -3.902 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.235 -1.805 -0.134 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.081 -2.920 0.921 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.698 -4.616 -0.805 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.583 -3.283 -0.582 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.556 -6.798 1.302 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.917 -5.909 -0.101 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.047 -5.867 1.451 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.506 -6.516 -7.149 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.110 -5.345 -6.375 1.00 0.00 C ATOM 1183 C LEU A 81 -7.097 -5.732 -5.305 1.00 0.00 C ATOM 1184 O LEU A 81 -6.186 -4.966 -4.990 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.333 -4.696 -5.723 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.023 -3.547 -4.762 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.248 -2.451 -5.476 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.307 -2.993 -4.164 1.00 0.00 C ATOM 0 HA LEU A 81 -7.650 -4.627 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.990 -4.324 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.886 -5.463 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.405 -3.931 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.036 -1.641 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.311 -2.857 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.841 -2.068 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.068 -2.176 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.950 -2.623 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.824 -3.782 -3.618 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.260 -6.931 -4.756 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.351 -7.433 -3.733 1.00 0.00 C ATOM 1202 C VAL A 82 -5.080 -7.985 -4.365 1.00 0.00 C ATOM 1203 O VAL A 82 -3.982 -7.805 -3.838 1.00 0.00 O ATOM 1204 CB VAL A 82 -7.011 -8.534 -2.881 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -6.097 -8.945 -1.736 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.359 -8.066 -2.355 1.00 0.00 C ATOM 0 H VAL A 82 -8.013 -7.573 -5.003 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.101 -6.592 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.176 -9.406 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.581 -9.723 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.158 -9.325 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.897 -8.081 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.810 -8.857 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.221 -7.178 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.014 -7.828 -3.193 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.236 -8.648 -5.506 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.092 -9.206 -6.202 1.00 0.00 C ATOM 1218 C GLY A 83 -3.189 -8.132 -6.774 1.00 0.00 C ATOM 1219 O GLY A 83 -1.975 -8.312 -6.861 1.00 0.00 O ATOM 0 H GLY A 83 -6.135 -8.809 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.521 -9.831 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.439 -9.853 -7.008 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.784 -7.007 -7.159 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.025 -5.893 -7.711 1.00 0.00 C ATOM 1225 C ALA A 84 -1.955 -5.429 -6.729 1.00 0.00 C ATOM 1226 O ALA A 84 -0.863 -5.023 -7.128 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.954 -4.744 -8.071 1.00 0.00 C ATOM 0 H ALA A 84 -4.789 -6.844 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.528 -6.234 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.371 -3.920 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.679 -5.081 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.479 -4.407 -7.177 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.274 -5.503 -5.441 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.338 -5.103 -4.397 1.00 0.00 C ATOM 1235 C LEU A 85 -0.291 -6.190 -4.170 1.00 0.00 C ATOM 1236 O LEU A 85 0.849 -5.902 -3.808 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.091 -4.807 -3.095 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.225 -4.716 -1.832 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.070 -3.969 -2.112 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.996 -4.041 -0.708 1.00 0.00 C ATOM 0 H LEU A 85 -3.174 -5.836 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.827 -4.196 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.628 -3.866 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.840 -5.585 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.970 -5.729 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.665 -3.919 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.633 -4.493 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.159 -2.959 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.368 -3.984 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.281 -3.035 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.892 -4.620 -0.483 1.00 0.00 H new ATOM 1252 N MET A 86 -0.684 -7.440 -4.398 1.00 0.00 N ATOM 1253 CA MET A 86 0.226 -8.567 -4.235 1.00 0.00 C ATOM 1254 C MET A 86 1.400 -8.449 -5.200 1.00 0.00 C ATOM 1255 O MET A 86 2.541 -8.750 -4.846 1.00 0.00 O ATOM 1256 CB MET A 86 -0.512 -9.886 -4.472 1.00 0.00 C ATOM 1257 CG MET A 86 -1.516 -10.226 -3.383 1.00 0.00 C ATOM 1258 SD MET A 86 -2.329 -11.811 -3.661 1.00 0.00 S ATOM 1259 CE MET A 86 -4.044 -11.358 -3.410 1.00 0.00 C ATOM 0 H MET A 86 -1.625 -7.697 -4.696 1.00 0.00 H new ATOM 0 HA MET A 86 0.608 -8.554 -3.214 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.030 -9.836 -5.429 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.217 -10.692 -4.547 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.008 -10.247 -2.419 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.269 -9.440 -3.330 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.678 -11.959 -4.062 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.319 -11.537 -2.371 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.180 -10.302 -3.645 1.00 0.00 H new ATOM 1269 N HIS A 87 1.111 -8.006 -6.419 1.00 0.00 N ATOM 1270 CA HIS A 87 2.140 -7.837 -7.437 1.00 0.00 C ATOM 1271 C HIS A 87 3.087 -6.703 -7.063 1.00 0.00 C ATOM 1272 O HIS A 87 4.304 -6.823 -7.205 1.00 0.00 O ATOM 1273 CB HIS A 87 1.499 -7.554 -8.797 1.00 0.00 C ATOM 1274 CG HIS A 87 1.080 -8.791 -9.531 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.709 -9.238 -10.673 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.086 -9.676 -9.279 1.00 0.00 C ATOM 1277 CE1 HIS A 87 1.121 -10.345 -11.093 1.00 0.00 C ATOM 1278 NE2 HIS A 87 0.134 -10.631 -10.265 1.00 0.00 N ATOM 0 H HIS A 87 0.171 -7.757 -6.726 1.00 0.00 H new ATOM 0 HA HIS A 87 2.713 -8.762 -7.500 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.628 -6.914 -8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.205 -6.997 -9.413 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.613 -9.638 -8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.401 -10.918 -11.965 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.492 -11.432 -10.344 1.00 0.00 H new ATOM 1287 N VAL A 88 2.519 -5.602 -6.581 1.00 0.00 N ATOM 1288 CA VAL A 88 3.312 -4.448 -6.175 1.00 0.00 C ATOM 1289 C VAL A 88 4.202 -4.787 -4.984 1.00 0.00 C ATOM 1290 O VAL A 88 5.231 -4.148 -4.763 1.00 0.00 O ATOM 1291 CB VAL A 88 2.416 -3.249 -5.810 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.257 -2.003 -5.581 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.377 -3.010 -6.894 1.00 0.00 C ATOM 0 H VAL A 88 1.513 -5.485 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 88 3.936 -4.177 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 88 1.892 -3.479 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.606 -1.167 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.957 -2.182 -4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.811 -1.766 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.753 -2.159 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.879 -2.802 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.753 -3.897 -7.002 1.00 0.00 H new ATOM 1303 N MET A 89 3.800 -5.799 -4.220 1.00 0.00 N ATOM 1304 CA MET A 89 4.568 -6.231 -3.059 1.00 0.00 C ATOM 1305 C MET A 89 5.719 -7.138 -3.481 1.00 0.00 C ATOM 1306 O MET A 89 6.726 -7.247 -2.781 1.00 0.00 O ATOM 1307 CB MET A 89 3.662 -6.962 -2.066 1.00 0.00 C ATOM 1308 CG MET A 89 3.192 -6.088 -0.914 1.00 0.00 C ATOM 1309 SD MET A 89 4.350 -6.079 0.467 1.00 0.00 S ATOM 1310 CE MET A 89 5.068 -4.446 0.295 1.00 0.00 C ATOM 0 H MET A 89 2.947 -6.334 -4.385 1.00 0.00 H new ATOM 0 HA MET A 89 4.983 -5.347 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.792 -7.348 -2.597 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.197 -7.822 -1.664 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.050 -5.068 -1.271 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.221 -6.442 -0.567 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.642 -4.205 1.190 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.726 -4.427 -0.574 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.274 -3.711 0.165 1.00 0.00 H new ATOM 1320 N GLN A 90 5.567 -7.783 -4.634 1.00 0.00 N ATOM 1321 CA GLN A 90 6.598 -8.673 -5.153 1.00 0.00 C ATOM 1322 C GLN A 90 7.779 -7.873 -5.691 1.00 0.00 C ATOM 1323 O GLN A 90 8.926 -8.313 -5.617 1.00 0.00 O ATOM 1324 CB GLN A 90 6.026 -9.562 -6.260 1.00 0.00 C ATOM 1325 CG GLN A 90 5.274 -10.776 -5.739 1.00 0.00 C ATOM 1326 CD GLN A 90 5.642 -12.050 -6.475 1.00 0.00 C ATOM 1327 OE1 GLN A 90 6.534 -12.788 -6.054 1.00 0.00 O ATOM 1328 NE2 GLN A 90 4.955 -12.316 -7.579 1.00 0.00 N ATOM 0 H GLN A 90 4.740 -7.705 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 90 6.946 -9.303 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.355 -8.968 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.840 -9.898 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.484 -10.901 -4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.202 -10.603 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.224 -11.677 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.158 -13.160 -8.115 1.00 0.00 H new ATOM 1337 N LYS A 91 7.489 -6.695 -6.234 1.00 0.00 N ATOM 1338 CA LYS A 91 8.525 -5.830 -6.787 1.00 0.00 C ATOM 1339 C LYS A 91 9.658 -5.631 -5.784 1.00 0.00 C ATOM 1340 O LYS A 91 10.831 -5.800 -6.116 1.00 0.00 O ATOM 1341 CB LYS A 91 7.933 -4.476 -7.180 1.00 0.00 C ATOM 1342 CG LYS A 91 8.209 -4.086 -8.623 1.00 0.00 C ATOM 1343 CD LYS A 91 7.212 -4.727 -9.574 1.00 0.00 C ATOM 1344 CE LYS A 91 6.303 -3.688 -10.211 1.00 0.00 C ATOM 1345 NZ LYS A 91 6.662 -3.432 -11.633 1.00 0.00 N ATOM 0 H LYS A 91 6.544 -6.317 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 91 8.930 -6.313 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.855 -4.500 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.337 -3.707 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.163 -3.002 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.220 -4.389 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.748 -5.270 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.609 -5.457 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.269 -4.027 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.366 -2.757 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.019 -2.718 -12.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.641 -3.084 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.578 -4.315 -12.177 1.00 0.00 H new ATOM 1359 N ARG A 92 9.296 -5.270 -4.557 1.00 0.00 N ATOM 1360 CA ARG A 92 10.282 -5.050 -3.505 1.00 0.00 C ATOM 1361 C ARG A 92 11.151 -6.288 -3.310 1.00 0.00 C ATOM 1362 O ARG A 92 12.379 -6.202 -3.298 1.00 0.00 O ATOM 1363 CB ARG A 92 9.586 -4.689 -2.192 1.00 0.00 C ATOM 1364 CG ARG A 92 10.147 -3.443 -1.529 1.00 0.00 C ATOM 1365 CD ARG A 92 11.620 -3.609 -1.187 1.00 0.00 C ATOM 1366 NE ARG A 92 12.414 -2.462 -1.616 1.00 0.00 N ATOM 1367 CZ ARG A 92 13.670 -2.253 -1.237 1.00 0.00 C ATOM 1368 NH1 ARG A 92 14.271 -3.111 -0.426 1.00 0.00 N ATOM 1369 NH2 ARG A 92 14.327 -1.186 -1.670 1.00 0.00 N ATOM 0 H ARG A 92 8.329 -5.124 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 92 10.922 -4.221 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.523 -4.542 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.673 -5.528 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.021 -2.588 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.584 -3.228 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.729 -3.743 -0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.003 -4.513 -1.662 1.00 0.00 H new ATOM 0 HE ARG A 92 11.980 -1.783 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.769 -3.934 -0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.235 -2.949 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.868 -0.524 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.291 -1.027 -1.378 1.00 0.00 H new ATOM 1383 N SER A 93 10.505 -7.439 -3.161 1.00 0.00 N ATOM 1384 CA SER A 93 11.218 -8.697 -2.971 1.00 0.00 C ATOM 1385 C SER A 93 12.197 -8.942 -4.113 1.00 0.00 C ATOM 1386 O SER A 93 13.368 -9.245 -3.887 1.00 0.00 O ATOM 1387 CB SER A 93 10.226 -9.859 -2.877 1.00 0.00 C ATOM 1388 OG SER A 93 9.890 -10.349 -4.164 1.00 0.00 O ATOM 0 H SER A 93 9.489 -7.527 -3.168 1.00 0.00 H new ATOM 0 HA SER A 93 11.781 -8.632 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.658 -10.662 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.323 -9.530 -2.363 1.00 0.00 H new ATOM 0 HG SER A 93 9.259 -9.734 -4.594 1.00 0.00 H new