USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0.881) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= 0.631 (180deg=0.422) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.709 K(o=-0.71,f=-4.7!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.011) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000278) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= 0.3 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -147:sc= 0 (180deg=-1.55!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -109:sc= 1.01 (180deg=0.0373) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0414 (180deg=-0.271) USER MOD Single : A 43 SER OG : rot -112:sc= 0.111 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -18:sc= 0.41 USER MOD Single : A 53 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.1) USER MOD Single : A 54 SER OG : rot 178:sc= -1.88! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.0941 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 75 MET CE :methyl -156:sc= -0.0848 (180deg=-1.71) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.679 K(o=0.68,f=-0.91) USER MOD Single : A 87 GLN : amide:sc= -0.0305 K(o=-0.031,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -0.014 2.427 1.516 1.00 0.00 N ATOM 158 CA TYR A 14 -1.075 1.751 2.221 1.00 0.00 C ATOM 159 C TYR A 14 -1.378 0.432 1.562 1.00 0.00 C ATOM 160 O TYR A 14 -1.090 0.236 0.381 1.00 0.00 O ATOM 161 CB TYR A 14 -2.339 2.587 2.296 1.00 0.00 C ATOM 162 CG TYR A 14 -2.209 3.857 3.094 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.892 5.054 2.480 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.438 3.862 4.463 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.809 6.226 3.206 1.00 0.00 C ATOM 166 CE2 TYR A 14 -2.350 5.025 5.197 1.00 0.00 C ATOM 167 CZ TYR A 14 -2.039 6.204 4.564 1.00 0.00 C ATOM 168 OH TYR A 14 -1.966 7.371 5.288 1.00 0.00 O ATOM 0 HA TYR A 14 -0.728 1.584 3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.650 2.841 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.134 1.981 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.706 5.073 1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.690 2.938 4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.565 7.155 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.524 5.010 6.263 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.156 7.183 6.231 1.00 0.00 H new ATOM 178 N ILE A 15 -1.954 -0.458 2.320 1.00 0.00 N ATOM 179 CA ILE A 15 -2.252 -1.787 1.866 1.00 0.00 C ATOM 180 C ILE A 15 -3.723 -2.073 2.076 1.00 0.00 C ATOM 181 O ILE A 15 -4.407 -1.379 2.832 1.00 0.00 O ATOM 182 CB ILE A 15 -1.448 -2.827 2.667 1.00 0.00 C ATOM 183 CG1 ILE A 15 -2.000 -2.924 4.083 1.00 0.00 C ATOM 184 CG2 ILE A 15 0.016 -2.464 2.684 1.00 0.00 C ATOM 185 CD1 ILE A 15 -1.258 -3.882 4.968 1.00 0.00 C ATOM 0 H ILE A 15 -2.234 -0.278 3.284 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.990 -1.853 0.810 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.546 -3.800 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.977 -1.934 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.046 -3.228 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.569 -3.210 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.395 -2.434 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.143 -1.486 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.715 -3.891 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.302 -4.883 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.217 -3.569 5.052 1.00 0.00 H new ATOM 197 N LYS A 16 -4.207 -3.065 1.409 1.00 0.00 N ATOM 198 CA LYS A 16 -5.572 -3.479 1.569 1.00 0.00 C ATOM 199 C LYS A 16 -5.649 -4.640 2.530 1.00 0.00 C ATOM 200 O LYS A 16 -4.756 -5.466 2.582 1.00 0.00 O ATOM 201 CB LYS A 16 -6.153 -3.865 0.231 1.00 0.00 C ATOM 202 CG LYS A 16 -6.218 -2.708 -0.733 1.00 0.00 C ATOM 203 CD LYS A 16 -6.863 -3.091 -2.057 1.00 0.00 C ATOM 204 CE LYS A 16 -6.000 -4.069 -2.838 1.00 0.00 C ATOM 205 NZ LYS A 16 -4.679 -3.489 -3.208 1.00 0.00 N ATOM 0 H LYS A 16 -3.674 -3.616 0.736 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.151 -2.650 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.551 -4.662 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.156 -4.267 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.782 -1.892 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.210 -2.335 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.841 -3.536 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.029 -2.194 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.845 -4.969 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.527 -4.372 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.204 -4.114 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.819 -2.552 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.090 -3.396 -2.356 1.00 0.00 H new ATOM 219 N ILE A 17 -6.684 -4.675 3.300 1.00 0.00 N ATOM 220 CA ILE A 17 -6.902 -5.747 4.248 1.00 0.00 C ATOM 221 C ILE A 17 -8.273 -6.339 4.086 1.00 0.00 C ATOM 222 O ILE A 17 -9.269 -5.607 4.040 1.00 0.00 O ATOM 223 CB ILE A 17 -6.737 -5.260 5.705 1.00 0.00 C ATOM 224 CG1 ILE A 17 -5.309 -4.776 5.963 1.00 0.00 C ATOM 225 CG2 ILE A 17 -7.135 -6.344 6.694 1.00 0.00 C ATOM 226 CD1 ILE A 17 -4.253 -5.849 5.783 1.00 0.00 C ATOM 0 H ILE A 17 -7.414 -3.963 3.299 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.149 -6.507 4.041 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.408 -4.414 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.090 -3.948 5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.246 -4.386 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.009 -5.973 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.178 -6.617 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.504 -7.220 6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.268 -5.427 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.445 -6.668 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.286 -6.224 4.760 1.00 0.00 H new ATOM 238 N LYS A 18 -8.343 -7.651 3.979 1.00 0.00 N ATOM 239 CA LYS A 18 -9.621 -8.290 3.935 1.00 0.00 C ATOM 240 C LYS A 18 -9.959 -8.764 5.320 1.00 0.00 C ATOM 241 O LYS A 18 -9.398 -9.750 5.806 1.00 0.00 O ATOM 242 CB LYS A 18 -9.656 -9.492 2.991 1.00 0.00 C ATOM 243 CG LYS A 18 -8.895 -9.334 1.687 1.00 0.00 C ATOM 244 CD LYS A 18 -9.322 -10.408 0.702 1.00 0.00 C ATOM 245 CE LYS A 18 -9.036 -11.803 1.230 1.00 0.00 C ATOM 246 NZ LYS A 18 -9.538 -12.852 0.310 1.00 0.00 N ATOM 0 H LYS A 18 -7.539 -8.277 3.923 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.340 -7.561 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.256 -10.357 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.697 -9.715 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.082 -8.347 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.823 -9.404 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.388 -10.309 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.799 -10.263 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.962 -11.926 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.501 -11.924 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.062 -13.753 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.564 -12.964 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.340 -12.575 -0.673 1.00 0.00 H new ATOM 260 N VAL A 19 -10.844 -8.063 5.963 1.00 0.00 N ATOM 261 CA VAL A 19 -11.292 -8.442 7.258 1.00 0.00 C ATOM 262 C VAL A 19 -12.355 -9.499 7.101 1.00 0.00 C ATOM 263 O VAL A 19 -13.434 -9.223 6.590 1.00 0.00 O ATOM 264 CB VAL A 19 -11.879 -7.228 8.012 1.00 0.00 C ATOM 265 CG1 VAL A 19 -12.459 -7.650 9.340 1.00 0.00 C ATOM 266 CG2 VAL A 19 -10.818 -6.154 8.211 1.00 0.00 C ATOM 0 H VAL A 19 -11.273 -7.212 5.599 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.450 -8.826 7.834 1.00 0.00 H new ATOM 0 HB VAL A 19 -12.683 -6.810 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.866 -6.779 9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.253 -8.378 9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.677 -8.099 9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.252 -5.308 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.991 -6.563 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.450 -5.821 7.240 1.00 0.00 H new ATOM 276 N VAL A 20 -12.041 -10.703 7.515 1.00 0.00 N ATOM 277 CA VAL A 20 -12.962 -11.799 7.402 1.00 0.00 C ATOM 278 C VAL A 20 -13.480 -12.172 8.770 1.00 0.00 C ATOM 279 O VAL A 20 -12.715 -12.565 9.654 1.00 0.00 O ATOM 280 CB VAL A 20 -12.294 -13.038 6.753 1.00 0.00 C ATOM 281 CG1 VAL A 20 -13.287 -14.187 6.625 1.00 0.00 C ATOM 282 CG2 VAL A 20 -11.702 -12.684 5.395 1.00 0.00 C ATOM 0 H VAL A 20 -11.145 -10.946 7.937 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.785 -11.479 6.763 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.483 -13.363 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.794 -15.044 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.652 -14.464 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.126 -13.875 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.239 -13.569 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.493 -12.326 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.951 -11.904 5.518 1.00 0.00 H new ATOM 292 N GLY A 21 -14.766 -12.035 8.947 1.00 0.00 N ATOM 293 CA GLY A 21 -15.369 -12.381 10.202 1.00 0.00 C ATOM 294 C GLY A 21 -15.885 -13.791 10.193 1.00 0.00 C ATOM 295 O GLY A 21 -16.038 -14.391 9.125 1.00 0.00 O ATOM 0 H GLY A 21 -15.413 -11.687 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -14.638 -12.265 11.002 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.188 -11.694 10.415 1.00 0.00 H new ATOM 299 N GLN A 22 -16.174 -14.320 11.364 1.00 0.00 N ATOM 300 CA GLN A 22 -16.690 -15.673 11.477 1.00 0.00 C ATOM 301 C GLN A 22 -18.076 -15.757 10.897 1.00 0.00 C ATOM 302 O GLN A 22 -18.526 -16.815 10.468 1.00 0.00 O ATOM 303 CB GLN A 22 -16.665 -16.155 12.914 1.00 0.00 C ATOM 304 CG GLN A 22 -15.262 -16.391 13.441 1.00 0.00 C ATOM 305 CD GLN A 22 -15.237 -16.761 14.904 1.00 0.00 C ATOM 306 OE1 GLN A 22 -16.092 -16.332 15.687 1.00 0.00 O ATOM 307 NE2 GLN A 22 -14.265 -17.564 15.281 1.00 0.00 N ATOM 0 H GLN A 22 -16.061 -13.834 12.254 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.040 -16.333 10.903 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.165 -15.420 13.546 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.235 -17.081 12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.791 -17.186 12.863 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.666 -15.491 13.289 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.582 -17.893 14.599 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.195 -17.858 16.255 1.00 0.00 H new ATOM 316 N ASP A 23 -18.739 -14.622 10.867 1.00 0.00 N ATOM 317 CA ASP A 23 -20.053 -14.489 10.247 1.00 0.00 C ATOM 318 C ASP A 23 -19.922 -14.586 8.707 1.00 0.00 C ATOM 319 O ASP A 23 -20.874 -14.342 7.970 1.00 0.00 O ATOM 320 CB ASP A 23 -20.677 -13.141 10.651 1.00 0.00 C ATOM 321 CG ASP A 23 -22.097 -12.964 10.156 1.00 0.00 C ATOM 322 OD1 ASP A 23 -22.984 -13.693 10.623 1.00 0.00 O ATOM 323 OD2 ASP A 23 -22.330 -12.081 9.298 1.00 0.00 O ATOM 0 H ASP A 23 -18.385 -13.756 11.273 1.00 0.00 H new ATOM 0 HA ASP A 23 -20.701 -15.296 10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.665 -13.055 11.738 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.060 -12.332 10.260 1.00 0.00 H new ATOM 328 N SER A 24 -18.709 -14.953 8.247 1.00 0.00 N ATOM 329 CA SER A 24 -18.384 -15.087 6.824 1.00 0.00 C ATOM 330 C SER A 24 -18.372 -13.721 6.154 1.00 0.00 C ATOM 331 O SER A 24 -18.537 -13.604 4.938 1.00 0.00 O ATOM 332 CB SER A 24 -19.381 -16.027 6.123 1.00 0.00 C ATOM 333 OG SER A 24 -19.398 -17.312 6.741 1.00 0.00 O ATOM 0 H SER A 24 -17.925 -15.165 8.863 1.00 0.00 H new ATOM 0 HA SER A 24 -17.389 -15.524 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.380 -15.592 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.111 -16.129 5.072 1.00 0.00 H new ATOM 0 HG SER A 24 -20.040 -17.889 6.278 1.00 0.00 H new ATOM 339 N ASN A 25 -18.124 -12.699 6.955 1.00 0.00 N ATOM 340 CA ASN A 25 -18.118 -11.327 6.463 1.00 0.00 C ATOM 341 C ASN A 25 -16.713 -10.878 6.131 1.00 0.00 C ATOM 342 O ASN A 25 -15.904 -10.653 7.017 1.00 0.00 O ATOM 343 CB ASN A 25 -18.735 -10.375 7.493 1.00 0.00 C ATOM 344 CG ASN A 25 -18.876 -8.930 6.990 1.00 0.00 C ATOM 345 OD1 ASN A 25 -18.153 -8.480 6.103 1.00 0.00 O ATOM 346 ND2 ASN A 25 -19.801 -8.200 7.567 1.00 0.00 N ATOM 0 H ASN A 25 -17.924 -12.791 7.951 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.719 -11.301 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -19.718 -10.749 7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -18.120 -10.379 8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.936 -7.230 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.385 -8.603 8.300 1.00 0.00 H new ATOM 353 N GLU A 26 -16.438 -10.774 4.865 1.00 0.00 N ATOM 354 CA GLU A 26 -15.166 -10.275 4.382 1.00 0.00 C ATOM 355 C GLU A 26 -15.347 -8.858 3.847 1.00 0.00 C ATOM 356 O GLU A 26 -16.206 -8.612 2.998 1.00 0.00 O ATOM 357 CB GLU A 26 -14.615 -11.188 3.288 1.00 0.00 C ATOM 358 CG GLU A 26 -13.409 -10.629 2.551 1.00 0.00 C ATOM 359 CD GLU A 26 -13.037 -11.458 1.342 1.00 0.00 C ATOM 360 OE1 GLU A 26 -13.673 -11.280 0.282 1.00 0.00 O ATOM 361 OE2 GLU A 26 -12.113 -12.287 1.435 1.00 0.00 O ATOM 0 H GLU A 26 -17.090 -11.033 4.124 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.452 -10.260 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.342 -12.144 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.406 -11.387 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.621 -9.607 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.559 -10.583 3.232 1.00 0.00 H new ATOM 368 N VAL A 27 -14.556 -7.938 4.351 1.00 0.00 N ATOM 369 CA VAL A 27 -14.645 -6.552 3.937 1.00 0.00 C ATOM 370 C VAL A 27 -13.260 -5.947 3.742 1.00 0.00 C ATOM 371 O VAL A 27 -12.327 -6.234 4.497 1.00 0.00 O ATOM 372 CB VAL A 27 -15.476 -5.718 4.947 1.00 0.00 C ATOM 373 CG1 VAL A 27 -14.868 -5.794 6.332 1.00 0.00 C ATOM 374 CG2 VAL A 27 -15.613 -4.270 4.493 1.00 0.00 C ATOM 0 H VAL A 27 -13.839 -8.124 5.052 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.161 -6.526 2.977 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.477 -6.146 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.466 -5.202 7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.849 -6.832 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.851 -5.403 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.201 -3.714 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.624 -3.821 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.113 -4.238 3.525 1.00 0.00 H new ATOM 384 N HIS A 28 -13.130 -5.129 2.714 1.00 0.00 N ATOM 385 CA HIS A 28 -11.869 -4.508 2.383 1.00 0.00 C ATOM 386 C HIS A 28 -11.690 -3.178 3.081 1.00 0.00 C ATOM 387 O HIS A 28 -12.478 -2.248 2.902 1.00 0.00 O ATOM 388 CB HIS A 28 -11.746 -4.290 0.873 1.00 0.00 C ATOM 389 CG HIS A 28 -11.619 -5.541 0.064 1.00 0.00 C ATOM 390 ND1 HIS A 28 -11.893 -5.588 -1.283 1.00 0.00 N ATOM 391 CD2 HIS A 28 -11.216 -6.785 0.404 1.00 0.00 C ATOM 392 CE1 HIS A 28 -11.666 -6.806 -1.735 1.00 0.00 C ATOM 393 NE2 HIS A 28 -11.250 -7.553 -0.735 1.00 0.00 N ATOM 0 H HIS A 28 -13.896 -4.879 2.089 1.00 0.00 H new ATOM 0 HA HIS A 28 -11.091 -5.191 2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -12.621 -3.739 0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.877 -3.661 0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.921 -7.115 1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.799 -7.135 -2.755 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.995 -8.539 -0.795 1.00 0.00 H new ATOM 401 N PHE A 29 -10.674 -3.113 3.889 1.00 0.00 N ATOM 402 CA PHE A 29 -10.244 -1.879 4.504 1.00 0.00 C ATOM 403 C PHE A 29 -8.843 -1.566 4.062 1.00 0.00 C ATOM 404 O PHE A 29 -8.038 -2.469 3.878 1.00 0.00 O ATOM 405 CB PHE A 29 -10.278 -1.963 6.023 1.00 0.00 C ATOM 406 CG PHE A 29 -11.650 -1.941 6.617 1.00 0.00 C ATOM 407 CD1 PHE A 29 -12.272 -3.103 7.025 1.00 0.00 C ATOM 408 CD2 PHE A 29 -12.318 -0.740 6.775 1.00 0.00 C ATOM 409 CE1 PHE A 29 -13.529 -3.067 7.577 1.00 0.00 C ATOM 410 CE2 PHE A 29 -13.577 -0.701 7.325 1.00 0.00 C ATOM 411 CZ PHE A 29 -14.182 -1.868 7.727 1.00 0.00 C ATOM 0 H PHE A 29 -10.109 -3.922 4.147 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.931 -1.092 4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.776 -2.879 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.706 -1.131 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.766 -4.050 6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.844 0.179 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -14.005 -3.983 7.894 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.089 0.243 7.441 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.171 -1.842 8.161 1.00 0.00 H new ATOM 421 N ARG A 30 -8.546 -0.310 3.869 1.00 0.00 N ATOM 422 CA ARG A 30 -7.209 0.070 3.503 1.00 0.00 C ATOM 423 C ARG A 30 -6.505 0.720 4.673 1.00 0.00 C ATOM 424 O ARG A 30 -6.960 1.733 5.221 1.00 0.00 O ATOM 425 CB ARG A 30 -7.184 0.960 2.263 1.00 0.00 C ATOM 426 CG ARG A 30 -5.781 1.392 1.871 1.00 0.00 C ATOM 427 CD ARG A 30 -5.742 2.003 0.488 1.00 0.00 C ATOM 428 NE ARG A 30 -6.572 3.201 0.370 1.00 0.00 N ATOM 429 CZ ARG A 30 -6.793 3.843 -0.782 1.00 0.00 C ATOM 430 NH1 ARG A 30 -6.220 3.414 -1.904 1.00 0.00 N ATOM 431 NH2 ARG A 30 -7.585 4.910 -0.813 1.00 0.00 N ATOM 0 H ARG A 30 -9.206 0.463 3.958 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.665 -0.838 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.640 0.426 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.793 1.845 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.408 2.114 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.113 0.531 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.712 2.255 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.076 1.263 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.008 3.568 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.612 2.595 -1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.389 3.904 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.027 5.242 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.751 5.397 -1.694 1.00 0.00 H new ATOM 445 N VAL A 31 -5.402 0.126 5.049 1.00 0.00 N ATOM 446 CA VAL A 31 -4.612 0.555 6.184 1.00 0.00 C ATOM 447 C VAL A 31 -3.153 0.526 5.803 1.00 0.00 C ATOM 448 O VAL A 31 -2.808 0.075 4.729 1.00 0.00 O ATOM 449 CB VAL A 31 -4.837 -0.341 7.431 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.293 -0.309 7.878 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.388 -1.768 7.164 1.00 0.00 C ATOM 0 H VAL A 31 -5.016 -0.686 4.568 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.925 1.565 6.448 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.228 0.061 8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.419 -0.946 8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.574 0.714 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.929 -0.671 7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.556 -2.375 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.958 -2.179 6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.327 -1.775 6.916 1.00 0.00 H new ATOM 461 N LYS A 32 -2.309 1.019 6.648 1.00 0.00 N ATOM 462 CA LYS A 32 -0.902 1.045 6.353 1.00 0.00 C ATOM 463 C LYS A 32 -0.254 -0.245 6.843 1.00 0.00 C ATOM 464 O LYS A 32 -0.820 -0.939 7.685 1.00 0.00 O ATOM 465 CB LYS A 32 -0.248 2.254 7.015 1.00 0.00 C ATOM 466 CG LYS A 32 1.053 2.679 6.357 1.00 0.00 C ATOM 467 CD LYS A 32 1.620 3.929 7.001 1.00 0.00 C ATOM 468 CE LYS A 32 2.813 4.482 6.221 1.00 0.00 C ATOM 469 NZ LYS A 32 3.968 3.552 6.222 1.00 0.00 N ATOM 0 H LYS A 32 -2.564 1.413 7.554 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.762 1.126 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.946 3.091 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.057 2.024 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.780 1.870 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.883 2.861 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.842 4.690 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.927 3.704 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.511 4.681 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.117 5.435 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.757 3.978 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.265 3.368 7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.693 2.657 5.769 1.00 0.00 H new ATOM 483 N TYR A 33 0.921 -0.564 6.317 1.00 0.00 N ATOM 484 CA TYR A 33 1.672 -1.742 6.767 1.00 0.00 C ATOM 485 C TYR A 33 1.868 -1.697 8.289 1.00 0.00 C ATOM 486 O TYR A 33 1.725 -2.706 8.975 1.00 0.00 O ATOM 487 CB TYR A 33 3.068 -1.757 6.128 1.00 0.00 C ATOM 488 CG TYR A 33 3.121 -1.964 4.633 1.00 0.00 C ATOM 489 CD1 TYR A 33 3.052 -0.887 3.757 1.00 0.00 C ATOM 490 CD2 TYR A 33 3.276 -3.237 4.096 1.00 0.00 C ATOM 491 CE1 TYR A 33 3.133 -1.073 2.391 1.00 0.00 C ATOM 492 CE2 TYR A 33 3.354 -3.433 2.731 1.00 0.00 C ATOM 493 CZ TYR A 33 3.283 -2.348 1.883 1.00 0.00 C ATOM 494 OH TYR A 33 3.365 -2.539 0.521 1.00 0.00 O ATOM 0 H TYR A 33 1.379 -0.029 5.579 1.00 0.00 H new ATOM 0 HA TYR A 33 1.106 -2.628 6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.560 -0.812 6.360 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.652 -2.545 6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.933 0.111 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.337 -4.088 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.079 -0.226 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.470 -4.429 2.331 1.00 0.00 H new ATOM 0 HH TYR A 33 3.470 -3.495 0.330 1.00 0.00 H new ATOM 504 N GLY A 34 2.169 -0.511 8.802 1.00 0.00 N ATOM 505 CA GLY A 34 2.427 -0.342 10.216 1.00 0.00 C ATOM 506 C GLY A 34 1.222 0.154 10.976 1.00 0.00 C ATOM 507 O GLY A 34 1.357 0.752 12.042 1.00 0.00 O ATOM 0 H GLY A 34 2.239 0.347 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.750 -1.294 10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.249 0.361 10.349 1.00 0.00 H new ATOM 511 N THR A 35 0.046 -0.064 10.419 1.00 0.00 N ATOM 512 CA THR A 35 -1.177 0.341 11.043 1.00 0.00 C ATOM 513 C THR A 35 -1.392 -0.352 12.400 1.00 0.00 C ATOM 514 O THR A 35 -1.019 -1.516 12.591 1.00 0.00 O ATOM 515 CB THR A 35 -2.373 0.101 10.094 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.683 1.312 9.382 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.597 -0.425 10.826 1.00 0.00 C ATOM 0 H THR A 35 -0.077 -0.529 9.519 1.00 0.00 H new ATOM 0 HA THR A 35 -1.106 1.410 11.245 1.00 0.00 H new ATOM 0 HB THR A 35 -2.080 -0.671 9.382 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.538 1.670 9.701 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.409 -0.577 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.354 -1.372 11.307 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.907 0.297 11.582 1.00 0.00 H new ATOM 525 N SER A 36 -1.968 0.389 13.338 1.00 0.00 N ATOM 526 CA SER A 36 -2.249 -0.127 14.653 1.00 0.00 C ATOM 527 C SER A 36 -3.655 -0.715 14.692 1.00 0.00 C ATOM 528 O SER A 36 -4.541 -0.258 13.964 1.00 0.00 O ATOM 529 CB SER A 36 -2.097 0.980 15.688 1.00 0.00 C ATOM 530 OG SER A 36 -0.769 1.473 15.698 1.00 0.00 O ATOM 0 H SER A 36 -2.249 1.360 13.200 1.00 0.00 H new ATOM 0 HA SER A 36 -1.538 -0.919 14.888 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.790 1.791 15.466 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.357 0.600 16.676 1.00 0.00 H new ATOM 0 HG SER A 36 -0.689 2.185 16.367 1.00 0.00 H new ATOM 536 N MET A 37 -3.855 -1.716 15.552 1.00 0.00 N ATOM 537 CA MET A 37 -5.141 -2.427 15.667 1.00 0.00 C ATOM 538 C MET A 37 -6.328 -1.468 15.801 1.00 0.00 C ATOM 539 O MET A 37 -7.409 -1.739 15.293 1.00 0.00 O ATOM 540 CB MET A 37 -5.122 -3.366 16.882 1.00 0.00 C ATOM 541 CG MET A 37 -5.087 -2.635 18.218 1.00 0.00 C ATOM 542 SD MET A 37 -5.164 -3.737 19.638 1.00 0.00 S ATOM 543 CE MET A 37 -5.143 -2.545 20.973 1.00 0.00 C ATOM 0 H MET A 37 -3.136 -2.060 16.189 1.00 0.00 H new ATOM 0 HA MET A 37 -5.267 -2.998 14.747 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.004 -4.005 16.850 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.252 -4.019 16.812 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.174 -2.043 18.276 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.923 -1.937 18.264 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.619 -2.968 21.830 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.631 -1.640 20.645 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.166 -2.300 21.258 1.00 0.00 H new ATOM 553 N ALA A 38 -6.099 -0.341 16.445 1.00 0.00 N ATOM 554 CA ALA A 38 -7.142 0.631 16.701 1.00 0.00 C ATOM 555 C ALA A 38 -7.745 1.165 15.418 1.00 0.00 C ATOM 556 O ALA A 38 -8.943 1.383 15.342 1.00 0.00 O ATOM 557 CB ALA A 38 -6.610 1.773 17.540 1.00 0.00 C ATOM 0 H ALA A 38 -5.183 -0.073 16.806 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.932 0.120 17.251 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.408 2.493 17.722 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.246 1.386 18.492 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.793 2.263 17.011 1.00 0.00 H new ATOM 563 N LYS A 39 -6.916 1.349 14.405 1.00 0.00 N ATOM 564 CA LYS A 39 -7.364 1.955 13.159 1.00 0.00 C ATOM 565 C LYS A 39 -8.457 1.106 12.509 1.00 0.00 C ATOM 566 O LYS A 39 -9.439 1.631 11.995 1.00 0.00 O ATOM 567 CB LYS A 39 -6.183 2.107 12.191 1.00 0.00 C ATOM 568 CG LYS A 39 -5.028 2.929 12.756 1.00 0.00 C ATOM 569 CD LYS A 39 -5.462 4.333 13.137 1.00 0.00 C ATOM 570 CE LYS A 39 -4.302 5.140 13.698 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.721 6.500 14.110 1.00 0.00 N ATOM 0 H LYS A 39 -5.930 1.088 14.419 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.773 2.940 13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.815 1.117 11.922 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.536 2.576 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.619 2.426 13.632 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.228 2.985 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.870 4.839 12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.261 4.280 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.877 4.617 14.554 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.515 5.215 12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.901 7.017 14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.103 7.009 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.453 6.430 14.845 1.00 0.00 H new ATOM 585 N LEU A 40 -8.284 -0.201 12.561 1.00 0.00 N ATOM 586 CA LEU A 40 -9.242 -1.118 11.967 1.00 0.00 C ATOM 587 C LEU A 40 -10.366 -1.472 12.928 1.00 0.00 C ATOM 588 O LEU A 40 -11.529 -1.471 12.552 1.00 0.00 O ATOM 589 CB LEU A 40 -8.564 -2.396 11.437 1.00 0.00 C ATOM 590 CG LEU A 40 -7.548 -3.088 12.366 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.508 -4.577 12.078 1.00 0.00 C ATOM 592 CD2 LEU A 40 -6.163 -2.501 12.157 1.00 0.00 C ATOM 0 H LEU A 40 -7.487 -0.654 13.009 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.681 -0.593 11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.344 -3.117 11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.056 -2.148 10.505 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.858 -2.926 13.399 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.787 -5.056 12.740 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.496 -5.007 12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.213 -4.739 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.454 -2.998 12.819 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.858 -2.649 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.182 -1.434 12.381 1.00 0.00 H new ATOM 604 N LYS A 41 -10.009 -1.773 14.166 1.00 0.00 N ATOM 605 CA LYS A 41 -10.980 -2.189 15.172 1.00 0.00 C ATOM 606 C LYS A 41 -11.973 -1.109 15.464 1.00 0.00 C ATOM 607 O LYS A 41 -13.167 -1.359 15.501 1.00 0.00 O ATOM 608 CB LYS A 41 -10.254 -2.558 16.440 1.00 0.00 C ATOM 609 CG LYS A 41 -9.435 -3.814 16.317 1.00 0.00 C ATOM 610 CD LYS A 41 -8.520 -3.978 17.495 1.00 0.00 C ATOM 611 CE LYS A 41 -9.289 -4.201 18.789 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.379 -4.384 19.946 1.00 0.00 N ATOM 0 H LYS A 41 -9.047 -1.737 14.503 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.525 -3.048 14.781 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.601 -1.734 16.729 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.981 -2.685 17.242 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.096 -4.677 16.243 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.849 -3.781 15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.852 -4.822 17.320 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.894 -3.091 17.594 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.945 -3.350 18.973 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.927 -5.079 18.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.409 -5.376 20.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.408 -4.138 19.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.681 -3.767 20.727 1.00 0.00 H new ATOM 626 N LYS A 42 -11.484 0.095 15.644 1.00 0.00 N ATOM 627 CA LYS A 42 -12.350 1.229 15.894 1.00 0.00 C ATOM 628 C LYS A 42 -13.257 1.438 14.704 1.00 0.00 C ATOM 629 O LYS A 42 -14.440 1.732 14.847 1.00 0.00 O ATOM 630 CB LYS A 42 -11.531 2.494 16.156 1.00 0.00 C ATOM 631 CG LYS A 42 -12.367 3.714 16.506 1.00 0.00 C ATOM 632 CD LYS A 42 -11.495 4.929 16.788 1.00 0.00 C ATOM 633 CE LYS A 42 -10.860 5.476 15.516 1.00 0.00 C ATOM 634 NZ LYS A 42 -11.875 6.041 14.588 1.00 0.00 N ATOM 0 H LYS A 42 -10.489 0.318 15.622 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.949 1.024 16.781 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.833 2.300 16.970 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.935 2.717 15.271 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.048 3.937 15.685 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.982 3.496 17.379 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.097 5.707 17.258 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.713 4.659 17.498 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.135 6.248 15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.311 4.680 15.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.403 6.635 13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.379 5.266 14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.554 6.617 15.125 1.00 0.00 H new ATOM 648 N SER A 43 -12.682 1.288 13.528 1.00 0.00 N ATOM 649 CA SER A 43 -13.411 1.481 12.294 1.00 0.00 C ATOM 650 C SER A 43 -14.502 0.408 12.114 1.00 0.00 C ATOM 651 O SER A 43 -15.672 0.723 11.887 1.00 0.00 O ATOM 652 CB SER A 43 -12.431 1.453 11.107 1.00 0.00 C ATOM 653 OG SER A 43 -13.104 1.634 9.868 1.00 0.00 O ATOM 0 H SER A 43 -11.703 1.031 13.402 1.00 0.00 H new ATOM 0 HA SER A 43 -13.906 2.451 12.334 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.683 2.236 11.233 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.898 0.502 11.097 1.00 0.00 H new ATOM 0 HG SER A 43 -13.062 0.804 9.349 1.00 0.00 H new ATOM 659 N TYR A 44 -14.107 -0.851 12.249 1.00 0.00 N ATOM 660 CA TYR A 44 -15.013 -1.974 12.069 1.00 0.00 C ATOM 661 C TYR A 44 -16.075 -2.015 13.138 1.00 0.00 C ATOM 662 O TYR A 44 -17.247 -2.210 12.850 1.00 0.00 O ATOM 663 CB TYR A 44 -14.241 -3.271 12.072 1.00 0.00 C ATOM 664 CG TYR A 44 -15.073 -4.480 11.713 1.00 0.00 C ATOM 665 CD1 TYR A 44 -15.142 -4.933 10.404 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.796 -5.158 12.681 1.00 0.00 C ATOM 667 CE1 TYR A 44 -15.908 -6.034 10.070 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.563 -6.258 12.361 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.615 -6.695 11.053 1.00 0.00 C ATOM 670 OH TYR A 44 -17.379 -7.795 10.727 1.00 0.00 O ATOM 0 H TYR A 44 -13.152 -1.121 12.486 1.00 0.00 H new ATOM 0 HA TYR A 44 -15.508 -1.842 11.107 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.412 -3.191 11.369 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.807 -3.422 13.060 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.588 -4.417 9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.758 -4.818 13.706 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -15.953 -6.375 9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -17.120 -6.774 13.129 1.00 0.00 H new ATOM 0 HH TYR A 44 -17.811 -8.144 11.534 1.00 0.00 H new ATOM 680 N ALA A 45 -15.662 -1.838 14.372 1.00 0.00 N ATOM 681 CA ALA A 45 -16.586 -1.857 15.484 1.00 0.00 C ATOM 682 C ALA A 45 -17.629 -0.779 15.300 1.00 0.00 C ATOM 683 O ALA A 45 -18.798 -0.953 15.635 1.00 0.00 O ATOM 684 CB ALA A 45 -15.850 -1.664 16.798 1.00 0.00 C ATOM 0 H ALA A 45 -14.689 -1.679 14.632 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.079 -2.828 15.513 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.564 -1.682 17.621 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -15.124 -2.467 16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.332 -0.705 16.788 1.00 0.00 H new ATOM 690 N ASP A 46 -17.195 0.329 14.751 1.00 0.00 N ATOM 691 CA ASP A 46 -18.077 1.472 14.536 1.00 0.00 C ATOM 692 C ASP A 46 -19.160 1.177 13.509 1.00 0.00 C ATOM 693 O ASP A 46 -20.334 1.472 13.728 1.00 0.00 O ATOM 694 CB ASP A 46 -17.290 2.692 14.098 1.00 0.00 C ATOM 695 CG ASP A 46 -18.181 3.892 13.886 1.00 0.00 C ATOM 696 OD1 ASP A 46 -18.652 4.470 14.887 1.00 0.00 O ATOM 697 OD2 ASP A 46 -18.423 4.258 12.720 1.00 0.00 O ATOM 0 H ASP A 46 -16.234 0.473 14.441 1.00 0.00 H new ATOM 0 HA ASP A 46 -18.559 1.674 15.493 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.537 2.927 14.850 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.758 2.468 13.174 1.00 0.00 H new ATOM 702 N ARG A 47 -18.761 0.585 12.390 1.00 0.00 N ATOM 703 CA ARG A 47 -19.692 0.293 11.295 1.00 0.00 C ATOM 704 C ARG A 47 -20.734 -0.733 11.718 1.00 0.00 C ATOM 705 O ARG A 47 -21.846 -0.759 11.187 1.00 0.00 O ATOM 706 CB ARG A 47 -18.931 -0.209 10.065 1.00 0.00 C ATOM 707 CG ARG A 47 -18.331 -1.590 10.240 1.00 0.00 C ATOM 708 CD ARG A 47 -17.468 -1.987 9.067 1.00 0.00 C ATOM 709 NE ARG A 47 -18.232 -2.153 7.836 1.00 0.00 N ATOM 710 CZ ARG A 47 -18.126 -1.366 6.765 1.00 0.00 C ATOM 711 NH1 ARG A 47 -17.315 -0.306 6.780 1.00 0.00 N ATOM 712 NH2 ARG A 47 -18.843 -1.633 5.686 1.00 0.00 N ATOM 0 H ARG A 47 -17.799 0.296 12.212 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.208 1.219 11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.608 -0.222 9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.134 0.496 9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.735 -1.613 11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.131 -2.319 10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.700 -1.229 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.954 -2.920 9.299 1.00 0.00 H new ATOM 0 HE ARG A 47 -18.895 -2.927 7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.770 -0.093 7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.240 0.291 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.472 -2.436 5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.767 -1.036 4.863 1.00 0.00 H new ATOM 726 N THR A 48 -20.372 -1.571 12.674 1.00 0.00 N ATOM 727 CA THR A 48 -21.267 -2.599 13.151 1.00 0.00 C ATOM 728 C THR A 48 -22.027 -2.137 14.409 1.00 0.00 C ATOM 729 O THR A 48 -22.956 -2.803 14.869 1.00 0.00 O ATOM 730 CB THR A 48 -20.516 -3.948 13.395 1.00 0.00 C ATOM 731 OG1 THR A 48 -21.427 -4.962 13.841 1.00 0.00 O ATOM 732 CG2 THR A 48 -19.389 -3.787 14.405 1.00 0.00 C ATOM 0 H THR A 48 -19.461 -1.556 13.133 1.00 0.00 H new ATOM 0 HA THR A 48 -22.005 -2.780 12.370 1.00 0.00 H new ATOM 0 HB THR A 48 -20.080 -4.252 12.444 1.00 0.00 H new ATOM 0 HG1 THR A 48 -22.247 -4.541 14.174 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.890 -4.745 14.549 1.00 0.00 H new ATOM 0 HG22 THR A 48 -18.671 -3.056 14.035 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.798 -3.445 15.355 1.00 0.00 H new ATOM 740 N GLY A 49 -21.646 -0.973 14.938 1.00 0.00 N ATOM 741 CA GLY A 49 -22.309 -0.444 16.121 1.00 0.00 C ATOM 742 C GLY A 49 -21.981 -1.235 17.368 1.00 0.00 C ATOM 743 O GLY A 49 -22.805 -1.359 18.276 1.00 0.00 O ATOM 0 H GLY A 49 -20.894 -0.390 14.570 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.014 0.595 16.265 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -23.387 -0.450 15.963 1.00 0.00 H new ATOM 747 N VAL A 50 -20.785 -1.769 17.408 1.00 0.00 N ATOM 748 CA VAL A 50 -20.337 -2.595 18.507 1.00 0.00 C ATOM 749 C VAL A 50 -19.147 -1.961 19.211 1.00 0.00 C ATOM 750 O VAL A 50 -18.390 -1.208 18.599 1.00 0.00 O ATOM 751 CB VAL A 50 -19.953 -4.015 18.020 1.00 0.00 C ATOM 752 CG1 VAL A 50 -19.365 -4.842 19.150 1.00 0.00 C ATOM 753 CG2 VAL A 50 -21.162 -4.719 17.424 1.00 0.00 C ATOM 0 H VAL A 50 -20.088 -1.643 16.674 1.00 0.00 H new ATOM 0 HA VAL A 50 -21.166 -2.677 19.210 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.192 -3.909 17.247 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.105 -5.833 18.778 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.470 -4.352 19.532 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -20.098 -4.936 19.952 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -20.874 -5.715 17.087 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.943 -4.803 18.180 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.537 -4.144 16.577 1.00 0.00 H new ATOM 763 N ALA A 51 -19.024 -2.231 20.511 1.00 0.00 N ATOM 764 CA ALA A 51 -17.907 -1.753 21.305 1.00 0.00 C ATOM 765 C ALA A 51 -16.586 -2.129 20.644 1.00 0.00 C ATOM 766 O ALA A 51 -16.418 -3.259 20.169 1.00 0.00 O ATOM 767 CB ALA A 51 -17.974 -2.365 22.701 1.00 0.00 C ATOM 0 H ALA A 51 -19.698 -2.787 21.037 1.00 0.00 H new ATOM 0 HA ALA A 51 -17.966 -0.667 21.378 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.135 -2.006 23.297 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.909 -2.076 23.180 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.926 -3.451 22.625 1.00 0.00 H new ATOM 773 N VAL A 52 -15.656 -1.188 20.630 1.00 0.00 N ATOM 774 CA VAL A 52 -14.349 -1.392 20.019 1.00 0.00 C ATOM 775 C VAL A 52 -13.618 -2.525 20.715 1.00 0.00 C ATOM 776 O VAL A 52 -13.016 -3.384 20.072 1.00 0.00 O ATOM 777 CB VAL A 52 -13.489 -0.104 20.080 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.063 -0.375 19.619 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.123 1.000 19.247 1.00 0.00 C ATOM 0 H VAL A 52 -15.783 -0.263 21.040 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.508 -1.648 18.972 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.448 0.227 21.118 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.482 0.546 19.672 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.609 -1.128 20.263 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.076 -0.737 18.591 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.506 1.897 19.301 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.200 0.675 18.210 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.118 1.221 19.633 1.00 0.00 H new ATOM 789 N ASN A 53 -13.695 -2.530 22.032 1.00 0.00 N ATOM 790 CA ASN A 53 -13.052 -3.555 22.839 1.00 0.00 C ATOM 791 C ASN A 53 -13.705 -4.916 22.621 1.00 0.00 C ATOM 792 O ASN A 53 -13.069 -5.954 22.810 1.00 0.00 O ATOM 793 CB ASN A 53 -13.077 -3.178 24.321 1.00 0.00 C ATOM 794 CG ASN A 53 -12.145 -2.027 24.651 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.134 -1.810 23.976 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.473 -1.282 25.688 1.00 0.00 N ATOM 0 H ASN A 53 -14.202 -1.829 22.572 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.012 -3.624 22.521 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.094 -2.909 24.606 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.799 -4.047 24.917 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.883 -0.495 25.957 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.317 -1.493 26.221 1.00 0.00 H new ATOM 803 N SER A 54 -14.974 -4.909 22.210 1.00 0.00 N ATOM 804 CA SER A 54 -15.693 -6.148 21.958 1.00 0.00 C ATOM 805 C SER A 54 -15.235 -6.785 20.656 1.00 0.00 C ATOM 806 O SER A 54 -15.489 -7.964 20.409 1.00 0.00 O ATOM 807 CB SER A 54 -17.199 -5.899 21.907 1.00 0.00 C ATOM 808 OG SER A 54 -17.698 -5.493 23.163 1.00 0.00 O ATOM 0 H SER A 54 -15.518 -4.062 22.047 1.00 0.00 H new ATOM 0 HA SER A 54 -15.475 -6.831 22.779 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.417 -5.133 21.163 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.709 -6.808 21.588 1.00 0.00 H new ATOM 0 HG SER A 54 -18.658 -5.309 23.090 1.00 0.00 H new ATOM 814 N LEU A 55 -14.557 -6.010 19.833 1.00 0.00 N ATOM 815 CA LEU A 55 -14.017 -6.515 18.588 1.00 0.00 C ATOM 816 C LEU A 55 -12.570 -6.903 18.750 1.00 0.00 C ATOM 817 O LEU A 55 -11.775 -6.171 19.339 1.00 0.00 O ATOM 818 CB LEU A 55 -14.140 -5.487 17.463 1.00 0.00 C ATOM 819 CG LEU A 55 -15.336 -5.648 16.523 1.00 0.00 C ATOM 820 CD1 LEU A 55 -15.363 -7.040 15.906 1.00 0.00 C ATOM 821 CD2 LEU A 55 -16.632 -5.353 17.240 1.00 0.00 C ATOM 0 H LEU A 55 -14.367 -5.023 20.006 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.601 -7.395 18.321 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.189 -4.494 17.911 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.229 -5.523 16.866 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.225 -4.924 15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.223 -7.127 15.242 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.448 -7.204 15.337 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.437 -7.787 16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.466 -5.475 16.549 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.750 -6.042 18.076 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.617 -4.329 17.613 1.00 0.00 H new ATOM 833 N ARG A 56 -12.230 -8.061 18.238 1.00 0.00 N ATOM 834 CA ARG A 56 -10.869 -8.542 18.298 1.00 0.00 C ATOM 835 C ARG A 56 -10.453 -9.053 16.944 1.00 0.00 C ATOM 836 O ARG A 56 -11.122 -9.907 16.357 1.00 0.00 O ATOM 837 CB ARG A 56 -10.681 -9.642 19.363 1.00 0.00 C ATOM 838 CG ARG A 56 -11.042 -9.217 20.785 1.00 0.00 C ATOM 839 CD ARG A 56 -12.508 -9.475 21.085 1.00 0.00 C ATOM 840 NE ARG A 56 -12.804 -10.907 21.107 1.00 0.00 N ATOM 841 CZ ARG A 56 -14.004 -11.431 20.905 1.00 0.00 C ATOM 842 NH1 ARG A 56 -15.036 -10.652 20.643 1.00 0.00 N ATOM 843 NH2 ARG A 56 -14.173 -12.743 20.964 1.00 0.00 N ATOM 0 H ARG A 56 -12.881 -8.692 17.772 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.236 -7.704 18.589 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.291 -10.503 19.089 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.642 -9.970 19.348 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.422 -9.761 21.497 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.823 -8.157 20.916 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.767 -9.033 22.047 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.127 -8.986 20.333 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.032 -11.548 21.291 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.912 -9.641 20.595 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.957 -11.061 20.488 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.379 -13.351 21.165 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.097 -13.146 20.808 1.00 0.00 H new ATOM 857 N PHE A 57 -9.365 -8.527 16.453 1.00 0.00 N ATOM 858 CA PHE A 57 -8.846 -8.904 15.160 1.00 0.00 C ATOM 859 C PHE A 57 -7.589 -9.724 15.328 1.00 0.00 C ATOM 860 O PHE A 57 -6.715 -9.385 16.143 1.00 0.00 O ATOM 861 CB PHE A 57 -8.558 -7.656 14.335 1.00 0.00 C ATOM 862 CG PHE A 57 -9.791 -6.944 13.853 1.00 0.00 C ATOM 863 CD1 PHE A 57 -10.681 -6.378 14.746 1.00 0.00 C ATOM 864 CD2 PHE A 57 -10.041 -6.820 12.506 1.00 0.00 C ATOM 865 CE1 PHE A 57 -11.798 -5.709 14.301 1.00 0.00 C ATOM 866 CE2 PHE A 57 -11.155 -6.153 12.055 1.00 0.00 C ATOM 867 CZ PHE A 57 -12.032 -5.598 12.953 1.00 0.00 C ATOM 0 H PHE A 57 -8.809 -7.822 16.937 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.589 -9.507 14.638 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.963 -6.966 14.934 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.951 -7.935 13.473 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.497 -6.462 15.807 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.353 -7.252 11.794 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.487 -5.273 15.009 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.340 -6.066 10.995 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.907 -5.073 12.599 1.00 0.00 H new ATOM 877 N LEU A 58 -7.499 -10.795 14.584 1.00 0.00 N ATOM 878 CA LEU A 58 -6.366 -11.686 14.666 1.00 0.00 C ATOM 879 C LEU A 58 -5.695 -11.876 13.320 1.00 0.00 C ATOM 880 O LEU A 58 -6.342 -11.840 12.275 1.00 0.00 O ATOM 881 CB LEU A 58 -6.768 -13.052 15.247 1.00 0.00 C ATOM 882 CG LEU A 58 -6.765 -13.155 16.773 1.00 0.00 C ATOM 883 CD1 LEU A 58 -8.015 -12.565 17.378 1.00 0.00 C ATOM 884 CD2 LEU A 58 -6.555 -14.590 17.217 1.00 0.00 C ATOM 0 H LEU A 58 -8.206 -11.076 13.905 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.649 -11.215 15.339 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.767 -13.298 14.887 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.091 -13.808 14.850 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.927 -12.564 17.141 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.973 -12.658 18.463 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.088 -11.512 17.107 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.888 -13.098 17.002 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.557 -14.638 18.306 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.359 -15.213 16.825 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.598 -14.951 16.839 1.00 0.00 H new ATOM 896 N PHE A 59 -4.393 -12.065 13.359 1.00 0.00 N ATOM 897 CA PHE A 59 -3.614 -12.330 12.174 1.00 0.00 C ATOM 898 C PHE A 59 -2.783 -13.561 12.446 1.00 0.00 C ATOM 899 O PHE A 59 -2.132 -13.632 13.478 1.00 0.00 O ATOM 900 CB PHE A 59 -2.679 -11.158 11.843 1.00 0.00 C ATOM 901 CG PHE A 59 -2.058 -11.268 10.470 1.00 0.00 C ATOM 902 CD1 PHE A 59 -2.592 -10.574 9.398 1.00 0.00 C ATOM 903 CD2 PHE A 59 -0.964 -12.093 10.248 1.00 0.00 C ATOM 904 CE1 PHE A 59 -2.048 -10.695 8.133 1.00 0.00 C ATOM 905 CE2 PHE A 59 -0.414 -12.215 8.987 1.00 0.00 C ATOM 906 CZ PHE A 59 -0.957 -11.517 7.928 1.00 0.00 C ATOM 0 H PHE A 59 -3.845 -12.038 14.219 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.283 -12.472 11.325 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.238 -10.225 11.909 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.888 -11.109 12.591 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.445 -9.930 9.552 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.538 -12.646 11.072 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.475 -10.148 7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.441 -12.856 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.530 -11.613 6.941 1.00 0.00 H new ATOM 916 N ASP A 60 -2.834 -14.539 11.551 1.00 0.00 N ATOM 917 CA ASP A 60 -2.053 -15.783 11.707 1.00 0.00 C ATOM 918 C ASP A 60 -2.440 -16.498 13.009 1.00 0.00 C ATOM 919 O ASP A 60 -1.656 -17.245 13.593 1.00 0.00 O ATOM 920 CB ASP A 60 -0.546 -15.447 11.689 1.00 0.00 C ATOM 921 CG ASP A 60 0.365 -16.663 11.597 1.00 0.00 C ATOM 922 OD1 ASP A 60 0.208 -17.460 10.658 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.278 -16.795 12.449 1.00 0.00 O ATOM 0 H ASP A 60 -3.404 -14.505 10.706 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.274 -16.456 10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.342 -14.790 10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.299 -14.890 12.593 1.00 0.00 H new ATOM 928 N GLY A 61 -3.670 -16.268 13.439 1.00 0.00 N ATOM 929 CA GLY A 61 -4.184 -16.898 14.632 1.00 0.00 C ATOM 930 C GLY A 61 -3.692 -16.238 15.896 1.00 0.00 C ATOM 931 O GLY A 61 -3.753 -16.825 16.974 1.00 0.00 O ATOM 0 H GLY A 61 -4.330 -15.645 12.973 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.273 -16.870 14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.892 -17.948 14.638 1.00 0.00 H new ATOM 935 N ARG A 62 -3.199 -15.018 15.777 1.00 0.00 N ATOM 936 CA ARG A 62 -2.735 -14.301 16.932 1.00 0.00 C ATOM 937 C ARG A 62 -3.318 -12.894 16.969 1.00 0.00 C ATOM 938 O ARG A 62 -3.624 -12.315 15.931 1.00 0.00 O ATOM 939 CB ARG A 62 -1.198 -14.314 16.998 1.00 0.00 C ATOM 940 CG ARG A 62 -0.448 -13.568 15.888 1.00 0.00 C ATOM 941 CD ARG A 62 -0.472 -12.063 16.092 1.00 0.00 C ATOM 942 NE ARG A 62 0.817 -11.450 15.798 1.00 0.00 N ATOM 943 CZ ARG A 62 1.199 -10.268 16.269 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.372 -9.554 17.018 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.409 -9.801 16.001 1.00 0.00 N ATOM 0 H ARG A 62 -3.113 -14.513 14.895 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.092 -14.807 17.829 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.896 -13.889 17.955 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.867 -15.353 16.992 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.586 -13.912 15.855 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.895 -13.810 14.924 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.237 -11.623 15.452 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.752 -11.841 17.122 1.00 0.00 H new ATOM 0 HE ARG A 62 1.464 -11.958 15.195 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.559 -9.912 17.233 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.666 -8.647 17.379 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.053 -10.349 15.431 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.697 -8.893 16.365 1.00 0.00 H new ATOM 959 N ARG A 63 -3.466 -12.357 18.164 1.00 0.00 N ATOM 960 CA ARG A 63 -4.098 -11.062 18.365 1.00 0.00 C ATOM 961 C ARG A 63 -3.257 -9.932 17.805 1.00 0.00 C ATOM 962 O ARG A 63 -2.050 -9.899 17.990 1.00 0.00 O ATOM 963 CB ARG A 63 -4.361 -10.828 19.861 1.00 0.00 C ATOM 964 CG ARG A 63 -5.523 -11.640 20.445 1.00 0.00 C ATOM 965 CD ARG A 63 -5.293 -13.145 20.342 1.00 0.00 C ATOM 966 NE ARG A 63 -4.066 -13.567 21.013 1.00 0.00 N ATOM 967 CZ ARG A 63 -3.514 -14.777 20.889 1.00 0.00 C ATOM 968 NH1 ARG A 63 -4.081 -15.701 20.121 1.00 0.00 N ATOM 969 NH2 ARG A 63 -2.399 -15.060 21.539 1.00 0.00 N ATOM 0 H ARG A 63 -3.152 -12.804 19.025 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.045 -11.071 17.826 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.454 -11.067 20.417 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.562 -9.768 20.019 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.663 -11.368 21.491 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.443 -11.380 19.922 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.142 -13.671 20.779 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.247 -13.432 19.291 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.599 -12.891 21.618 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.944 -15.489 19.621 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.653 -16.623 20.032 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.962 -14.355 22.133 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.975 -15.983 21.446 1.00 0.00 H new ATOM 983 N ILE A 64 -3.910 -9.019 17.114 1.00 0.00 N ATOM 984 CA ILE A 64 -3.247 -7.841 16.564 1.00 0.00 C ATOM 985 C ILE A 64 -3.255 -6.738 17.604 1.00 0.00 C ATOM 986 O ILE A 64 -4.320 -6.287 18.031 1.00 0.00 O ATOM 987 CB ILE A 64 -3.974 -7.346 15.278 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.972 -8.451 14.217 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.330 -6.065 14.727 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.834 -8.145 13.014 1.00 0.00 C ATOM 0 H ILE A 64 -4.909 -9.067 16.916 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.222 -8.104 16.301 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.005 -7.108 15.540 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.948 -8.620 13.884 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.317 -9.379 14.672 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.862 -5.747 13.830 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.384 -5.278 15.479 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.286 -6.260 14.480 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.781 -8.974 12.308 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.867 -8.005 13.333 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.477 -7.235 12.532 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.075 -6.333 18.025 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.927 -5.286 19.016 1.00 0.00 C ATOM 1004 C ASN A 65 -1.421 -4.019 18.374 1.00 0.00 C ATOM 1005 O ASN A 65 -0.740 -4.063 17.353 1.00 0.00 O ATOM 1006 CB ASN A 65 -0.970 -5.717 20.135 1.00 0.00 C ATOM 1007 CG ASN A 65 -1.503 -6.869 20.961 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -1.232 -8.039 20.675 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -2.250 -6.548 22.001 1.00 0.00 N ATOM 0 H ASN A 65 -1.192 -6.719 17.691 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.909 -5.099 19.451 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.014 -6.004 19.697 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.779 -4.866 20.789 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.627 -7.280 22.603 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.450 -5.568 22.202 1.00 0.00 H new ATOM 1016 N ASP A 66 -1.735 -2.888 18.985 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.318 -1.583 18.469 1.00 0.00 C ATOM 1018 C ASP A 66 0.188 -1.404 18.600 1.00 0.00 C ATOM 1019 O ASP A 66 0.761 -0.472 18.053 1.00 0.00 O ATOM 1020 CB ASP A 66 -2.038 -0.450 19.216 1.00 0.00 C ATOM 1021 CG ASP A 66 -1.754 -0.453 20.709 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -2.206 -1.384 21.402 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -1.084 0.481 21.197 1.00 0.00 O ATOM 0 H ASP A 66 -2.281 -2.842 19.845 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.587 -1.542 17.414 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.732 0.508 18.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.112 -0.541 19.055 1.00 0.00 H new ATOM 1028 N ASP A 67 0.812 -2.305 19.331 1.00 0.00 N ATOM 1029 CA ASP A 67 2.229 -2.273 19.549 1.00 0.00 C ATOM 1030 C ASP A 67 2.973 -2.976 18.418 1.00 0.00 C ATOM 1031 O ASP A 67 4.170 -2.755 18.221 1.00 0.00 O ATOM 1032 CB ASP A 67 2.541 -2.977 20.862 1.00 0.00 C ATOM 1033 CG ASP A 67 1.867 -2.340 22.057 1.00 0.00 C ATOM 1034 OD1 ASP A 67 2.279 -1.234 22.463 1.00 0.00 O ATOM 1035 OD2 ASP A 67 0.915 -2.944 22.597 1.00 0.00 O ATOM 0 H ASP A 67 0.339 -3.083 19.791 1.00 0.00 H new ATOM 0 HA ASP A 67 2.554 -1.233 19.583 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.229 -4.019 20.791 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.620 -2.977 21.019 1.00 0.00 H new ATOM 1040 N ASP A 68 2.259 -3.810 17.669 1.00 0.00 N ATOM 1041 CA ASP A 68 2.875 -4.620 16.621 1.00 0.00 C ATOM 1042 C ASP A 68 3.402 -3.810 15.449 1.00 0.00 C ATOM 1043 O ASP A 68 2.865 -2.756 15.098 1.00 0.00 O ATOM 1044 CB ASP A 68 1.926 -5.697 16.130 1.00 0.00 C ATOM 1045 CG ASP A 68 1.716 -6.787 17.147 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.689 -7.502 17.470 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.581 -6.959 17.618 1.00 0.00 O ATOM 0 H ASP A 68 1.253 -3.944 17.767 1.00 0.00 H new ATOM 0 HA ASP A 68 3.742 -5.088 17.088 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.965 -5.245 15.883 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.319 -6.132 15.211 1.00 0.00 H new ATOM 1052 N THR A 69 4.461 -4.328 14.853 1.00 0.00 N ATOM 1053 CA THR A 69 5.112 -3.723 13.715 1.00 0.00 C ATOM 1054 C THR A 69 4.610 -4.367 12.411 1.00 0.00 C ATOM 1055 O THR A 69 4.049 -5.465 12.436 1.00 0.00 O ATOM 1056 CB THR A 69 6.639 -3.904 13.837 1.00 0.00 C ATOM 1057 OG1 THR A 69 6.935 -5.286 14.077 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.200 -3.055 14.968 1.00 0.00 C ATOM 0 H THR A 69 4.898 -5.198 15.156 1.00 0.00 H new ATOM 0 HA THR A 69 4.875 -2.659 13.693 1.00 0.00 H new ATOM 0 HB THR A 69 7.104 -3.581 12.905 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.882 -5.382 14.311 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.278 -3.201 15.032 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.987 -2.004 14.774 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.737 -3.351 15.909 1.00 0.00 H new ATOM 1066 N PRO A 70 4.818 -3.707 11.250 1.00 0.00 N ATOM 1067 CA PRO A 70 4.347 -4.223 9.947 1.00 0.00 C ATOM 1068 C PRO A 70 4.927 -5.597 9.601 1.00 0.00 C ATOM 1069 O PRO A 70 4.269 -6.410 8.958 1.00 0.00 O ATOM 1070 CB PRO A 70 4.863 -3.174 8.944 1.00 0.00 C ATOM 1071 CG PRO A 70 5.924 -2.423 9.674 1.00 0.00 C ATOM 1072 CD PRO A 70 5.489 -2.404 11.104 1.00 0.00 C ATOM 0 HA PRO A 70 3.266 -4.362 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.263 -3.649 8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.061 -2.510 8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.894 -2.909 9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.029 -1.411 9.282 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.335 -2.305 11.784 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.814 -1.574 11.312 1.00 0.00 H new ATOM 1080 N LYS A 71 6.142 -5.855 10.057 1.00 0.00 N ATOM 1081 CA LYS A 71 6.824 -7.109 9.788 1.00 0.00 C ATOM 1082 C LYS A 71 6.193 -8.282 10.541 1.00 0.00 C ATOM 1083 O LYS A 71 6.104 -9.383 10.019 1.00 0.00 O ATOM 1084 CB LYS A 71 8.239 -6.977 10.232 1.00 0.00 C ATOM 1085 CG LYS A 71 8.311 -6.416 11.611 1.00 0.00 C ATOM 1086 CD LYS A 71 9.586 -6.700 12.257 1.00 0.00 C ATOM 1087 CE LYS A 71 9.768 -8.192 12.491 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.935 -8.474 13.362 1.00 0.00 N ATOM 0 H LYS A 71 6.682 -5.201 10.624 1.00 0.00 H new ATOM 0 HA LYS A 71 6.749 -7.312 8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.726 -7.952 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.782 -6.331 9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.159 -5.337 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.501 -6.830 12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.401 -6.325 11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.639 -6.171 13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.867 -8.601 12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.898 -8.697 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.026 -9.501 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.799 -8.106 12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.799 -8.013 14.284 1.00 0.00 H new ATOM 1102 N THR A 72 5.779 -8.040 11.780 1.00 0.00 N ATOM 1103 CA THR A 72 5.205 -9.084 12.608 1.00 0.00 C ATOM 1104 C THR A 72 3.743 -9.277 12.276 1.00 0.00 C ATOM 1105 O THR A 72 3.200 -10.373 12.419 1.00 0.00 O ATOM 1106 CB THR A 72 5.396 -8.816 14.126 1.00 0.00 C ATOM 1107 OG1 THR A 72 5.034 -9.981 14.877 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.560 -7.646 14.591 1.00 0.00 C ATOM 0 H THR A 72 5.832 -7.126 12.230 1.00 0.00 H new ATOM 0 HA THR A 72 5.745 -10.004 12.383 1.00 0.00 H new ATOM 0 HB THR A 72 6.447 -8.577 14.290 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.158 -9.806 15.833 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.718 -7.487 15.658 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.852 -6.750 14.043 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.506 -7.856 14.408 1.00 0.00 H new ATOM 1116 N LEU A 73 3.102 -8.202 11.843 1.00 0.00 N ATOM 1117 CA LEU A 73 1.739 -8.286 11.390 1.00 0.00 C ATOM 1118 C LEU A 73 1.708 -8.968 10.046 1.00 0.00 C ATOM 1119 O LEU A 73 0.690 -9.492 9.643 1.00 0.00 O ATOM 1120 CB LEU A 73 1.088 -6.910 11.319 1.00 0.00 C ATOM 1121 CG LEU A 73 0.921 -6.203 12.663 1.00 0.00 C ATOM 1122 CD1 LEU A 73 0.393 -4.792 12.469 1.00 0.00 C ATOM 1123 CD2 LEU A 73 -0.005 -7.004 13.566 1.00 0.00 C ATOM 0 H LEU A 73 3.510 -7.268 11.799 1.00 0.00 H new ATOM 0 HA LEU A 73 1.164 -8.872 12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.685 -6.276 10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.107 -7.013 10.855 1.00 0.00 H new ATOM 0 HG LEU A 73 1.898 -6.133 13.141 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.282 -4.308 13.440 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.093 -4.222 11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.576 -4.831 11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.116 -6.490 14.521 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.981 -7.102 13.091 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.418 -7.994 13.734 1.00 0.00 H new ATOM 1135 N GLU A 74 2.862 -8.928 9.351 1.00 0.00 N ATOM 1136 CA GLU A 74 3.052 -9.610 8.077 1.00 0.00 C ATOM 1137 C GLU A 74 1.964 -9.256 7.053 1.00 0.00 C ATOM 1138 O GLU A 74 1.664 -10.045 6.158 1.00 0.00 O ATOM 1139 CB GLU A 74 3.049 -11.100 8.333 1.00 0.00 C ATOM 1140 CG GLU A 74 4.152 -11.599 9.240 1.00 0.00 C ATOM 1141 CD GLU A 74 4.080 -13.096 9.465 1.00 0.00 C ATOM 1142 OE1 GLU A 74 3.618 -13.524 10.549 1.00 0.00 O ATOM 1143 OE2 GLU A 74 4.488 -13.856 8.561 1.00 0.00 O ATOM 0 H GLU A 74 3.686 -8.417 9.668 1.00 0.00 H new ATOM 0 HA GLU A 74 4.002 -9.286 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.089 -11.376 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.125 -11.617 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.119 -11.345 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.090 -11.086 10.200 1.00 0.00 H new ATOM 1150 N MET A 75 1.408 -8.065 7.162 1.00 0.00 N ATOM 1151 CA MET A 75 0.321 -7.654 6.285 1.00 0.00 C ATOM 1152 C MET A 75 0.837 -7.079 4.977 1.00 0.00 C ATOM 1153 O MET A 75 1.926 -6.501 4.920 1.00 0.00 O ATOM 1154 CB MET A 75 -0.572 -6.621 6.965 1.00 0.00 C ATOM 1155 CG MET A 75 -1.202 -7.093 8.258 1.00 0.00 C ATOM 1156 SD MET A 75 -2.395 -5.909 8.920 1.00 0.00 S ATOM 1157 CE MET A 75 -1.331 -4.516 9.291 1.00 0.00 C ATOM 0 H MET A 75 1.688 -7.363 7.847 1.00 0.00 H new ATOM 0 HA MET A 75 -0.260 -8.551 6.068 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.017 -5.726 7.167 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.364 -6.332 6.274 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.699 -8.048 8.089 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.420 -7.267 8.997 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.793 -3.901 10.063 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.366 -4.879 9.645 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.186 -3.919 8.391 1.00 0.00 H new ATOM 1167 N GLU A 76 0.047 -7.244 3.934 1.00 0.00 N ATOM 1168 CA GLU A 76 0.345 -6.706 2.627 1.00 0.00 C ATOM 1169 C GLU A 76 -0.959 -6.447 1.900 1.00 0.00 C ATOM 1170 O GLU A 76 -2.031 -6.626 2.480 1.00 0.00 O ATOM 1171 CB GLU A 76 1.251 -7.636 1.815 1.00 0.00 C ATOM 1172 CG GLU A 76 0.680 -9.016 1.563 1.00 0.00 C ATOM 1173 CD GLU A 76 1.573 -9.835 0.670 1.00 0.00 C ATOM 1174 OE1 GLU A 76 2.591 -10.371 1.160 1.00 0.00 O ATOM 1175 OE2 GLU A 76 1.278 -9.933 -0.540 1.00 0.00 O ATOM 0 H GLU A 76 -0.830 -7.763 3.974 1.00 0.00 H new ATOM 0 HA GLU A 76 0.894 -5.772 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.465 -7.165 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.202 -7.741 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.544 -9.532 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.305 -8.924 1.106 1.00 0.00 H new ATOM 1182 N ASP A 77 -0.880 -6.015 0.655 1.00 0.00 N ATOM 1183 CA ASP A 77 -2.075 -5.681 -0.110 1.00 0.00 C ATOM 1184 C ASP A 77 -3.064 -6.824 -0.229 1.00 0.00 C ATOM 1185 O ASP A 77 -2.758 -7.893 -0.765 1.00 0.00 O ATOM 1186 CB ASP A 77 -1.728 -5.145 -1.489 1.00 0.00 C ATOM 1187 CG ASP A 77 -1.620 -3.647 -1.499 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -2.682 -2.977 -1.432 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -0.488 -3.130 -1.569 1.00 0.00 O ATOM 0 H ASP A 77 -0.004 -5.886 0.149 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.568 -4.896 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.784 -5.579 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.490 -5.458 -2.202 1.00 0.00 H new ATOM 1194 N ASP A 78 -4.256 -6.562 0.292 1.00 0.00 N ATOM 1195 CA ASP A 78 -5.404 -7.459 0.232 1.00 0.00 C ATOM 1196 C ASP A 78 -5.124 -8.760 0.980 1.00 0.00 C ATOM 1197 O ASP A 78 -5.568 -9.841 0.578 1.00 0.00 O ATOM 1198 CB ASP A 78 -5.822 -7.698 -1.223 1.00 0.00 C ATOM 1199 CG ASP A 78 -7.199 -8.329 -1.365 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -8.204 -7.641 -1.089 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -7.284 -9.504 -1.785 1.00 0.00 O ATOM 0 H ASP A 78 -4.457 -5.691 0.784 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.246 -6.985 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.810 -6.748 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.085 -8.342 -1.703 1.00 0.00 H new ATOM 1206 N ASP A 79 -4.373 -8.647 2.077 1.00 0.00 N ATOM 1207 CA ASP A 79 -4.084 -9.799 2.916 1.00 0.00 C ATOM 1208 C ASP A 79 -5.305 -10.123 3.761 1.00 0.00 C ATOM 1209 O ASP A 79 -6.307 -9.410 3.715 1.00 0.00 O ATOM 1210 CB ASP A 79 -2.865 -9.570 3.809 1.00 0.00 C ATOM 1211 CG ASP A 79 -2.149 -10.871 4.144 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -1.076 -11.126 3.568 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -2.671 -11.653 4.963 1.00 0.00 O ATOM 0 H ASP A 79 -3.958 -7.773 2.399 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.848 -10.641 2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.172 -8.893 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.178 -9.081 4.731 1.00 0.00 H new ATOM 1218 N VAL A 80 -5.220 -11.162 4.534 1.00 0.00 N ATOM 1219 CA VAL A 80 -6.350 -11.638 5.284 1.00 0.00 C ATOM 1220 C VAL A 80 -6.206 -11.382 6.778 1.00 0.00 C ATOM 1221 O VAL A 80 -5.140 -11.566 7.368 1.00 0.00 O ATOM 1222 CB VAL A 80 -6.569 -13.144 5.043 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -6.951 -13.386 3.599 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -5.310 -13.925 5.391 1.00 0.00 C ATOM 0 H VAL A 80 -4.367 -11.706 4.665 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.215 -11.078 4.929 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.379 -13.488 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.104 -14.453 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.872 -12.849 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.153 -13.031 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.481 -14.987 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.485 -13.582 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.062 -13.766 6.440 1.00 0.00 H new ATOM 1234 N ILE A 81 -7.295 -10.972 7.369 1.00 0.00 N ATOM 1235 CA ILE A 81 -7.375 -10.711 8.780 1.00 0.00 C ATOM 1236 C ILE A 81 -8.615 -11.372 9.361 1.00 0.00 C ATOM 1237 O ILE A 81 -9.700 -11.291 8.787 1.00 0.00 O ATOM 1238 CB ILE A 81 -7.325 -9.182 9.078 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -5.875 -8.759 9.374 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -8.280 -8.766 10.185 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -5.701 -7.287 9.683 1.00 0.00 C ATOM 0 H ILE A 81 -8.170 -10.807 6.872 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.504 -11.147 9.269 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.669 -8.654 8.188 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.505 -9.341 10.218 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.253 -9.013 8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.201 -7.691 10.349 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.301 -9.016 9.897 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.023 -9.293 11.104 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.649 -7.078 9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.036 -6.694 8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.292 -7.027 10.561 1.00 0.00 H new ATOM 1253 N GLU A 82 -8.442 -12.040 10.482 1.00 0.00 N ATOM 1254 CA GLU A 82 -9.510 -12.810 11.091 1.00 0.00 C ATOM 1255 C GLU A 82 -10.185 -12.030 12.202 1.00 0.00 C ATOM 1256 O GLU A 82 -9.540 -11.270 12.923 1.00 0.00 O ATOM 1257 CB GLU A 82 -8.944 -14.105 11.647 1.00 0.00 C ATOM 1258 CG GLU A 82 -8.220 -14.941 10.610 1.00 0.00 C ATOM 1259 CD GLU A 82 -7.620 -16.192 11.197 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -8.361 -17.180 11.381 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -6.401 -16.201 11.467 1.00 0.00 O ATOM 0 H GLU A 82 -7.562 -12.066 10.996 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.257 -13.027 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.256 -13.873 12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.756 -14.693 12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.916 -15.213 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.432 -14.344 10.152 1.00 0.00 H new ATOM 1268 N VAL A 83 -11.478 -12.210 12.328 1.00 0.00 N ATOM 1269 CA VAL A 83 -12.249 -11.548 13.362 1.00 0.00 C ATOM 1270 C VAL A 83 -13.095 -12.543 14.129 1.00 0.00 C ATOM 1271 O VAL A 83 -13.759 -13.400 13.540 1.00 0.00 O ATOM 1272 CB VAL A 83 -13.160 -10.443 12.784 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -14.008 -9.801 13.875 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -12.332 -9.395 12.101 1.00 0.00 C ATOM 0 H VAL A 83 -12.028 -12.817 11.720 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.531 -11.085 14.039 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.829 -10.905 12.058 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.639 -9.027 13.438 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.636 -10.560 14.342 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.357 -9.356 14.627 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.985 -8.621 11.697 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.643 -8.950 12.819 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.765 -9.851 11.289 1.00 0.00 H new ATOM 1284 N TYR A 84 -13.066 -12.425 15.433 1.00 0.00 N ATOM 1285 CA TYR A 84 -13.852 -13.266 16.297 1.00 0.00 C ATOM 1286 C TYR A 84 -15.117 -12.529 16.699 1.00 0.00 C ATOM 1287 O TYR A 84 -15.150 -11.295 16.678 1.00 0.00 O ATOM 1288 CB TYR A 84 -13.030 -13.692 17.509 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.987 -14.742 17.175 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -10.772 -14.401 16.582 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -12.224 -16.081 17.448 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -9.837 -15.364 16.277 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -11.286 -17.050 17.145 1.00 0.00 C ATOM 1294 CZ TYR A 84 -10.094 -16.683 16.559 1.00 0.00 C ATOM 1295 OH TYR A 84 -9.153 -17.640 16.254 1.00 0.00 O ATOM 0 H TYR A 84 -12.494 -11.740 15.926 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.142 -14.175 15.769 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.536 -12.818 17.932 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -13.699 -14.082 18.276 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.561 -13.366 16.359 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.158 -16.372 17.905 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.902 -15.082 15.816 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.486 -18.088 17.366 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.487 -18.523 16.517 1.00 0.00 H new ATOM 1305 N GLN A 85 -16.148 -13.272 17.075 1.00 0.00 N ATOM 1306 CA GLN A 85 -17.460 -12.678 17.301 1.00 0.00 C ATOM 1307 C GLN A 85 -17.447 -11.767 18.525 1.00 0.00 C ATOM 1308 O GLN A 85 -16.947 -12.135 19.589 1.00 0.00 O ATOM 1309 CB GLN A 85 -18.522 -13.765 17.462 1.00 0.00 C ATOM 1310 CG GLN A 85 -19.932 -13.258 17.223 1.00 0.00 C ATOM 1311 CD GLN A 85 -20.156 -12.889 15.762 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -19.601 -13.518 14.856 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -20.928 -11.856 15.522 1.00 0.00 N ATOM 0 H GLN A 85 -16.104 -14.279 17.229 1.00 0.00 H new ATOM 0 HA GLN A 85 -17.708 -12.073 16.429 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.311 -14.577 16.766 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.457 -14.182 18.467 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -20.649 -14.023 17.520 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -20.117 -12.387 17.851 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.371 -11.360 16.295 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -21.086 -11.549 14.562 1.00 0.00 H new ATOM 1322 N GLU A 86 -18.015 -10.581 18.358 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.998 -9.537 19.373 1.00 0.00 C ATOM 1324 C GLU A 86 -18.784 -9.911 20.634 1.00 0.00 C ATOM 1325 O GLU A 86 -19.668 -10.764 20.604 1.00 0.00 O ATOM 1326 CB GLU A 86 -18.524 -8.232 18.791 1.00 0.00 C ATOM 1327 CG GLU A 86 -20.008 -8.262 18.442 1.00 0.00 C ATOM 1328 CD GLU A 86 -20.330 -9.115 17.235 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -19.478 -9.221 16.331 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -21.431 -9.693 17.193 1.00 0.00 O ATOM 0 H GLU A 86 -18.506 -10.314 17.505 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.959 -9.413 19.679 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.346 -7.429 19.506 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.955 -7.991 17.893 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.567 -8.636 19.300 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.350 -7.243 18.258 1.00 0.00 H new ATOM 1337 N GLN A 87 -18.448 -9.245 21.741 1.00 0.00 N ATOM 1338 CA GLN A 87 -19.050 -9.508 23.024 1.00 0.00 C ATOM 1339 C GLN A 87 -20.472 -8.994 23.071 1.00 0.00 C ATOM 1340 O GLN A 87 -21.387 -9.684 23.490 1.00 0.00 O ATOM 1341 CB GLN A 87 -18.259 -8.766 24.080 1.00 0.00 C ATOM 1342 CG GLN A 87 -16.804 -9.141 24.149 1.00 0.00 C ATOM 1343 CD GLN A 87 -16.585 -10.607 24.481 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -17.394 -11.230 25.167 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -15.485 -11.157 24.014 1.00 0.00 N ATOM 0 H GLN A 87 -17.745 -8.506 21.759 1.00 0.00 H new ATOM 0 HA GLN A 87 -19.050 -10.584 23.196 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.336 -7.696 23.888 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.715 -8.950 25.053 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.331 -8.916 23.193 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.311 -8.526 24.902 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.839 -10.606 23.449 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.278 -12.135 24.217 1.00 0.00 H new ATOM 1354 N LEU A 88 -20.625 -7.764 22.641 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.898 -7.079 22.658 1.00 0.00 C ATOM 1356 C LEU A 88 -22.891 -7.710 21.693 1.00 0.00 C ATOM 1357 O LEU A 88 -24.067 -7.878 22.017 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.667 -5.612 22.315 1.00 0.00 C ATOM 1359 CG LEU A 88 -22.906 -4.716 22.295 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -23.571 -4.682 23.660 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.538 -3.311 21.846 1.00 0.00 C ATOM 0 H LEU A 88 -19.861 -7.203 22.265 1.00 0.00 H new ATOM 0 HA LEU A 88 -22.332 -7.164 23.654 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.959 -5.200 23.034 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -21.192 -5.561 21.335 1.00 0.00 H new ATOM 0 HG LEU A 88 -23.617 -5.133 21.582 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -24.450 -4.038 23.621 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -23.872 -5.691 23.943 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -22.869 -4.293 24.397 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -23.431 -2.686 21.837 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -21.806 -2.889 22.535 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -22.112 -3.349 20.843 1.00 0.00 H new