USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.566 (180deg=-2.04!) USER MOD Single : A 21 THR OG1 : rot 68:sc= 0.947 USER MOD Single : A 25 TYR OH : rot 171:sc= 0.604 USER MOD Single : A 27 CYS SG : rot 88:sc= 1.19 USER MOD Single : A 29 CYS SG : rot 116:sc= -0.0815 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -119:sc= -0.442 (180deg=-1.74!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -179:sc= -8.04! (180deg=-8.06!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 57 GLN : amide:sc=-0.00642 K(o=-0.0064,f=-0.69) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-7.9!) USER MOD Single : A 70 ASN : amide:sc= -0.227 K(o=-0.23,f=0.8) USER MOD Single : A 71 TYR OH : rot -5:sc= 0.0407 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.98! K(o=-2!,f=-0.3) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00449) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.773 27.413 -4.716 1.00 0.00 N ATOM 133 CA VAL A 13 10.214 26.235 -3.977 1.00 0.00 C ATOM 134 C VAL A 13 9.298 25.955 -2.790 1.00 0.00 C ATOM 135 O VAL A 13 9.309 24.860 -2.230 1.00 0.00 O ATOM 136 CB VAL A 13 11.659 26.400 -3.467 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.793 27.672 -2.644 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.080 25.184 -2.657 1.00 0.00 C ATOM 0 HA VAL A 13 10.174 25.395 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 13 12.323 26.482 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.820 27.771 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.536 28.533 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.120 27.624 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.103 25.318 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.414 25.068 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.025 24.293 -3.283 1.00 0.00 H new ATOM 148 N GLU A 14 8.506 26.954 -2.414 1.00 0.00 N ATOM 149 CA GLU A 14 7.582 26.815 -1.293 1.00 0.00 C ATOM 150 C GLU A 14 6.347 26.018 -1.703 1.00 0.00 C ATOM 151 O GLU A 14 6.031 24.991 -1.100 1.00 0.00 O ATOM 152 CB GLU A 14 7.166 28.193 -0.774 1.00 0.00 C ATOM 153 CG GLU A 14 6.372 28.140 0.521 1.00 0.00 C ATOM 154 CD GLU A 14 6.571 29.375 1.378 1.00 0.00 C ATOM 155 OE1 GLU A 14 5.815 30.352 1.196 1.00 0.00 O ATOM 156 OE2 GLU A 14 7.483 29.364 2.231 1.00 0.00 O ATOM 0 H GLU A 14 8.485 27.867 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 14 8.093 26.274 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.059 28.798 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.570 28.694 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.313 28.030 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.667 27.257 1.088 1.00 0.00 H new ATOM 163 N ILE A 15 5.652 26.499 -2.727 1.00 0.00 N ATOM 164 CA ILE A 15 4.452 25.832 -3.217 1.00 0.00 C ATOM 165 C ILE A 15 4.735 24.373 -3.555 1.00 0.00 C ATOM 166 O ILE A 15 3.972 23.481 -3.182 1.00 0.00 O ATOM 167 CB ILE A 15 3.885 26.537 -4.464 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.371 26.330 -4.549 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.567 26.017 -5.720 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.741 26.977 -5.762 1.00 0.00 C ATOM 0 H ILE A 15 5.899 27.349 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 15 3.714 25.880 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 15 4.083 27.606 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.159 25.261 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.906 26.733 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.157 26.524 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.638 26.210 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.396 24.944 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.667 26.790 -5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.922 28.052 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.179 26.557 -6.667 1.00 0.00 H new ATOM 182 N GLU A 16 5.835 24.136 -4.262 1.00 0.00 N ATOM 183 CA GLU A 16 6.217 22.783 -4.649 1.00 0.00 C ATOM 184 C GLU A 16 6.512 21.928 -3.419 1.00 0.00 C ATOM 185 O GLU A 16 6.017 20.807 -3.296 1.00 0.00 O ATOM 186 CB GLU A 16 7.443 22.819 -5.564 1.00 0.00 C ATOM 187 CG GLU A 16 7.323 23.814 -6.705 1.00 0.00 C ATOM 188 CD GLU A 16 8.089 23.383 -7.940 1.00 0.00 C ATOM 189 OE1 GLU A 16 7.614 22.469 -8.646 1.00 0.00 O ATOM 190 OE2 GLU A 16 9.166 23.960 -8.201 1.00 0.00 O ATOM 0 H GLU A 16 6.477 24.863 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 16 5.382 22.337 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.322 23.066 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.607 21.824 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.271 23.942 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.691 24.785 -6.375 1.00 0.00 H new ATOM 197 N THR A 17 7.320 22.465 -2.512 1.00 0.00 N ATOM 198 CA THR A 17 7.682 21.753 -1.293 1.00 0.00 C ATOM 199 C THR A 17 6.443 21.363 -0.496 1.00 0.00 C ATOM 200 O THR A 17 6.433 20.345 0.198 1.00 0.00 O ATOM 201 CB THR A 17 8.608 22.600 -0.400 1.00 0.00 C ATOM 202 OG1 THR A 17 9.920 22.659 -0.971 1.00 0.00 O ATOM 203 CG2 THR A 17 8.685 22.020 1.004 1.00 0.00 C ATOM 0 H THR A 17 7.737 23.392 -2.598 1.00 0.00 H new ATOM 0 HA THR A 17 8.212 20.851 -1.600 1.00 0.00 H new ATOM 0 HB THR A 17 8.195 23.607 -0.337 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.906 23.234 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.345 22.635 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.689 22.005 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.077 21.004 0.957 1.00 0.00 H new ATOM 211 N LEU A 18 5.400 22.178 -0.597 1.00 0.00 N ATOM 212 CA LEU A 18 4.153 21.918 0.115 1.00 0.00 C ATOM 213 C LEU A 18 3.498 20.635 -0.384 1.00 0.00 C ATOM 214 O LEU A 18 3.103 19.779 0.407 1.00 0.00 O ATOM 215 CB LEU A 18 3.191 23.095 -0.055 1.00 0.00 C ATOM 216 CG LEU A 18 3.436 24.299 0.855 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.631 25.500 0.381 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.089 23.959 2.296 1.00 0.00 C ATOM 0 H LEU A 18 5.392 23.025 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 18 4.386 21.797 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.240 23.432 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.176 22.736 0.116 1.00 0.00 H new ATOM 0 HG LEU A 18 4.495 24.555 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.818 26.347 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.928 25.759 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.569 25.255 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.270 24.828 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.038 23.676 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.710 23.129 2.634 1.00 0.00 H new ATOM 230 N ARG A 19 3.388 20.507 -1.703 1.00 0.00 N ATOM 231 CA ARG A 19 2.783 19.327 -2.308 1.00 0.00 C ATOM 232 C ARG A 19 3.523 18.061 -1.889 1.00 0.00 C ATOM 233 O ARG A 19 2.905 17.038 -1.588 1.00 0.00 O ATOM 234 CB ARG A 19 2.786 19.452 -3.833 1.00 0.00 C ATOM 235 CG ARG A 19 1.558 20.153 -4.390 1.00 0.00 C ATOM 236 CD ARG A 19 1.807 21.641 -4.584 1.00 0.00 C ATOM 237 NE ARG A 19 2.296 21.943 -5.927 1.00 0.00 N ATOM 238 CZ ARG A 19 1.501 22.229 -6.951 1.00 0.00 C ATOM 239 NH1 ARG A 19 0.185 22.252 -6.787 1.00 0.00 N ATOM 240 NH2 ARG A 19 2.021 22.492 -8.144 1.00 0.00 N ATOM 0 H ARG A 19 3.710 21.206 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 19 1.753 19.257 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.677 19.998 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.855 18.456 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.281 19.702 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.717 20.009 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.883 22.190 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.533 21.986 -3.848 1.00 0.00 H new ATOM 0 HE ARG A 19 3.303 21.934 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.219 22.050 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.423 22.472 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.032 22.474 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.409 22.712 -8.930 1.00 0.00 H new ATOM 254 N LYS A 20 4.849 18.134 -1.872 1.00 0.00 N ATOM 255 CA LYS A 20 5.675 16.995 -1.490 1.00 0.00 C ATOM 256 C LYS A 20 5.405 16.588 -0.045 1.00 0.00 C ATOM 257 O LYS A 20 5.369 15.402 0.283 1.00 0.00 O ATOM 258 CB LYS A 20 7.157 17.329 -1.669 1.00 0.00 C ATOM 259 CG LYS A 20 7.697 16.984 -3.046 1.00 0.00 C ATOM 260 CD LYS A 20 7.460 18.112 -4.036 1.00 0.00 C ATOM 261 CE LYS A 20 8.618 19.099 -4.043 1.00 0.00 C ATOM 262 NZ LYS A 20 8.799 19.733 -5.378 1.00 0.00 N ATOM 0 H LYS A 20 5.376 18.972 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 20 5.418 16.158 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.305 18.393 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.735 16.793 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.765 16.777 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.218 16.074 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.327 17.698 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.537 18.633 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.441 19.872 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.536 18.584 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.158 20.702 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.480 19.179 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.886 19.762 -5.875 1.00 0.00 H new ATOM 276 N THR A 21 5.215 17.581 0.820 1.00 0.00 N ATOM 277 CA THR A 21 4.948 17.328 2.229 1.00 0.00 C ATOM 278 C THR A 21 3.624 16.598 2.416 1.00 0.00 C ATOM 279 O THR A 21 3.552 15.590 3.119 1.00 0.00 O ATOM 280 CB THR A 21 4.919 18.638 3.040 1.00 0.00 C ATOM 281 OG1 THR A 21 6.137 19.363 2.843 1.00 0.00 O ATOM 282 CG2 THR A 21 4.727 18.352 4.522 1.00 0.00 C ATOM 0 H THR A 21 5.241 18.569 0.567 1.00 0.00 H new ATOM 0 HA THR A 21 5.760 16.700 2.596 1.00 0.00 H new ATOM 0 HB THR A 21 4.079 19.238 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.178 19.689 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.710 19.291 5.075 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.784 17.825 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.549 17.734 4.883 1.00 0.00 H new ATOM 290 N VAL A 22 2.576 17.112 1.781 1.00 0.00 N ATOM 291 CA VAL A 22 1.252 16.507 1.876 1.00 0.00 C ATOM 292 C VAL A 22 1.226 15.136 1.210 1.00 0.00 C ATOM 293 O VAL A 22 0.599 14.204 1.712 1.00 0.00 O ATOM 294 CB VAL A 22 0.179 17.401 1.227 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.188 16.739 1.307 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.156 18.772 1.888 1.00 0.00 C ATOM 0 H VAL A 22 2.618 17.946 1.195 1.00 0.00 H new ATOM 0 HA VAL A 22 1.029 16.397 2.937 1.00 0.00 H new ATOM 0 HB VAL A 22 0.431 17.534 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.933 17.386 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.161 15.783 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.451 16.573 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.608 19.390 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.070 18.661 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.130 19.248 1.773 1.00 0.00 H new ATOM 306 N GLU A 23 1.910 15.021 0.077 1.00 0.00 N ATOM 307 CA GLU A 23 1.965 13.763 -0.658 1.00 0.00 C ATOM 308 C GLU A 23 2.421 12.623 0.249 1.00 0.00 C ATOM 309 O GLU A 23 1.865 11.525 0.212 1.00 0.00 O ATOM 310 CB GLU A 23 2.910 13.885 -1.855 1.00 0.00 C ATOM 311 CG GLU A 23 2.228 14.378 -3.120 1.00 0.00 C ATOM 312 CD GLU A 23 3.122 14.282 -4.340 1.00 0.00 C ATOM 313 OE1 GLU A 23 4.011 15.145 -4.495 1.00 0.00 O ATOM 314 OE2 GLU A 23 2.932 13.342 -5.141 1.00 0.00 O ATOM 0 H GLU A 23 2.434 15.784 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 23 0.961 13.539 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.720 14.568 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.362 12.913 -2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.323 13.795 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.919 15.414 -2.981 1.00 0.00 H new ATOM 321 N ASP A 24 3.437 12.892 1.062 1.00 0.00 N ATOM 322 CA ASP A 24 3.969 11.890 1.979 1.00 0.00 C ATOM 323 C ASP A 24 2.931 11.512 3.031 1.00 0.00 C ATOM 324 O ASP A 24 2.673 10.331 3.266 1.00 0.00 O ATOM 325 CB ASP A 24 5.236 12.411 2.658 1.00 0.00 C ATOM 326 CG ASP A 24 6.196 11.296 3.026 1.00 0.00 C ATOM 327 OD1 ASP A 24 5.721 10.207 3.411 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.422 11.513 2.930 1.00 0.00 O ATOM 0 H ASP A 24 3.909 13.795 1.105 1.00 0.00 H new ATOM 0 HA ASP A 24 4.216 10.999 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.738 13.114 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.962 12.962 3.557 1.00 0.00 H new ATOM 333 N TYR A 25 2.340 12.520 3.662 1.00 0.00 N ATOM 334 CA TYR A 25 1.334 12.294 4.692 1.00 0.00 C ATOM 335 C TYR A 25 0.320 11.248 4.241 1.00 0.00 C ATOM 336 O TYR A 25 0.204 10.179 4.842 1.00 0.00 O ATOM 337 CB TYR A 25 0.618 13.602 5.031 1.00 0.00 C ATOM 338 CG TYR A 25 -0.036 13.600 6.395 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.731 13.579 7.553 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.419 13.616 6.525 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.138 13.576 8.801 1.00 0.00 C ATOM 342 CE2 TYR A 25 -2.019 13.613 7.768 1.00 0.00 C ATOM 343 CZ TYR A 25 -1.237 13.594 8.903 1.00 0.00 C ATOM 344 OH TYR A 25 -1.832 13.591 10.145 1.00 0.00 O ATOM 0 H TYR A 25 2.541 13.503 3.478 1.00 0.00 H new ATOM 0 HA TYR A 25 1.840 11.923 5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.335 14.422 4.983 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.141 13.797 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.808 13.565 7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.035 13.631 5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.748 13.560 9.692 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.096 13.625 7.851 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.794 13.751 10.047 1.00 0.00 H new ATOM 354 N PHE A 26 -0.413 11.562 3.178 1.00 0.00 N ATOM 355 CA PHE A 26 -1.419 10.650 2.646 1.00 0.00 C ATOM 356 C PHE A 26 -0.881 9.223 2.586 1.00 0.00 C ATOM 357 O PHE A 26 -1.594 8.267 2.891 1.00 0.00 O ATOM 358 CB PHE A 26 -1.859 11.101 1.252 1.00 0.00 C ATOM 359 CG PHE A 26 -2.610 12.402 1.252 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.595 12.648 2.195 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.332 13.377 0.308 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.287 13.844 2.199 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.021 14.575 0.307 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.001 14.808 1.252 1.00 0.00 C ATOM 0 H PHE A 26 -0.329 12.441 2.668 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.280 10.667 3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.979 11.199 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.488 10.328 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.825 11.896 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.569 13.199 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.050 14.025 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.793 15.329 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.543 15.742 1.250 1.00 0.00 H new ATOM 374 N CYS A 27 0.380 9.089 2.188 1.00 0.00 N ATOM 375 CA CYS A 27 1.014 7.779 2.086 1.00 0.00 C ATOM 376 C CYS A 27 1.143 7.129 3.459 1.00 0.00 C ATOM 377 O CYS A 27 0.968 5.918 3.604 1.00 0.00 O ATOM 378 CB CYS A 27 2.392 7.907 1.437 1.00 0.00 C ATOM 379 SG CYS A 27 2.377 8.731 -0.172 1.00 0.00 S ATOM 0 H CYS A 27 0.983 9.871 1.931 1.00 0.00 H new ATOM 0 HA CYS A 27 0.384 7.145 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.049 8.459 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.820 6.912 1.319 1.00 0.00 H new ATOM 0 HG CYS A 27 2.484 10.016 -0.003 1.00 0.00 H new ATOM 385 N PHE A 28 1.451 7.940 4.466 1.00 0.00 N ATOM 386 CA PHE A 28 1.606 7.443 5.828 1.00 0.00 C ATOM 387 C PHE A 28 0.276 6.943 6.380 1.00 0.00 C ATOM 388 O PHE A 28 0.142 5.773 6.744 1.00 0.00 O ATOM 389 CB PHE A 28 2.167 8.542 6.733 1.00 0.00 C ATOM 390 CG PHE A 28 1.975 8.268 8.197 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.787 7.359 8.858 1.00 0.00 C ATOM 392 CD2 PHE A 28 0.983 8.918 8.913 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.613 7.104 10.205 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.806 8.668 10.261 1.00 0.00 C ATOM 395 CZ PHE A 28 1.621 7.760 10.907 1.00 0.00 C ATOM 0 H PHE A 28 1.598 8.944 4.364 1.00 0.00 H new ATOM 0 HA PHE A 28 2.306 6.607 5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.231 8.661 6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.687 9.488 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.565 6.844 8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.341 9.628 8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.252 6.393 10.708 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.030 9.183 10.809 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.483 7.563 11.960 1.00 0.00 H new ATOM 405 N CYS A 29 -0.706 7.835 6.438 1.00 0.00 N ATOM 406 CA CYS A 29 -2.027 7.486 6.948 1.00 0.00 C ATOM 407 C CYS A 29 -2.565 6.238 6.255 1.00 0.00 C ATOM 408 O CYS A 29 -3.215 5.399 6.880 1.00 0.00 O ATOM 409 CB CYS A 29 -2.998 8.652 6.749 1.00 0.00 C ATOM 410 SG CYS A 29 -2.457 10.201 7.508 1.00 0.00 S ATOM 0 H CYS A 29 -0.613 8.805 6.138 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.934 7.277 8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.140 8.814 5.681 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.969 8.377 7.162 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.247 11.088 6.581 1.00 0.00 H new ATOM 416 N TYR A 30 -2.290 6.122 4.961 1.00 0.00 N ATOM 417 CA TYR A 30 -2.749 4.978 4.182 1.00 0.00 C ATOM 418 C TYR A 30 -2.010 3.708 4.592 1.00 0.00 C ATOM 419 O TYR A 30 -2.610 2.766 5.109 1.00 0.00 O ATOM 420 CB TYR A 30 -2.548 5.238 2.688 1.00 0.00 C ATOM 421 CG TYR A 30 -2.991 4.090 1.808 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.195 3.437 2.040 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.205 3.659 0.747 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.604 2.388 1.239 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.605 2.611 -0.059 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.806 1.979 0.192 1.00 0.00 C ATOM 427 OH TYR A 30 -4.208 0.934 -0.609 1.00 0.00 O ATOM 0 H TYR A 30 -1.752 6.806 4.429 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.812 4.839 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.100 6.135 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.493 5.441 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.822 3.755 2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.265 4.152 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.543 1.891 1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.982 2.288 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.532 0.773 -1.300 1.00 0.00 H new ATOM 437 N GLY A 31 -0.701 3.690 4.358 1.00 0.00 N ATOM 438 CA GLY A 31 0.099 2.531 4.709 1.00 0.00 C ATOM 439 C GLY A 31 0.091 2.251 6.198 1.00 0.00 C ATOM 440 O GLY A 31 0.428 1.150 6.633 1.00 0.00 O ATOM 0 H GLY A 31 -0.181 4.457 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.278 1.658 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.125 2.688 4.377 1.00 0.00 H new ATOM 444 N LYS A 32 -0.292 3.252 6.985 1.00 0.00 N ATOM 445 CA LYS A 32 -0.342 3.109 8.435 1.00 0.00 C ATOM 446 C LYS A 32 -1.573 2.316 8.861 1.00 0.00 C ATOM 447 O LYS A 32 -1.484 1.411 9.691 1.00 0.00 O ATOM 448 CB LYS A 32 -0.353 4.486 9.104 1.00 0.00 C ATOM 449 CG LYS A 32 -0.842 4.460 10.542 1.00 0.00 C ATOM 450 CD LYS A 32 -2.348 4.644 10.622 1.00 0.00 C ATOM 451 CE LYS A 32 -2.756 5.335 11.914 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.113 4.915 12.363 1.00 0.00 N ATOM 0 H LYS A 32 -0.572 4.171 6.642 1.00 0.00 H new ATOM 0 HA LYS A 32 0.547 2.565 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.655 4.901 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.988 5.157 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.565 3.513 11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.348 5.248 11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.690 5.232 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.838 3.673 10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.029 5.107 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.740 6.415 11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.354 5.408 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.811 5.156 11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.122 3.888 12.526 1.00 0.00 H new ATOM 466 N ALA A 33 -2.721 2.660 8.288 1.00 0.00 N ATOM 467 CA ALA A 33 -3.970 1.977 8.606 1.00 0.00 C ATOM 468 C ALA A 33 -3.954 0.540 8.098 1.00 0.00 C ATOM 469 O ALA A 33 -4.610 -0.337 8.662 1.00 0.00 O ATOM 470 CB ALA A 33 -5.150 2.735 8.018 1.00 0.00 C ATOM 0 H ALA A 33 -2.813 3.408 7.601 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.075 1.949 9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.076 2.214 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.179 3.742 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.042 2.793 6.935 1.00 0.00 H new ATOM 476 N LEU A 34 -3.202 0.303 7.029 1.00 0.00 N ATOM 477 CA LEU A 34 -3.101 -1.030 6.444 1.00 0.00 C ATOM 478 C LEU A 34 -2.483 -2.013 7.432 1.00 0.00 C ATOM 479 O LEU A 34 -2.827 -3.194 7.446 1.00 0.00 O ATOM 480 CB LEU A 34 -2.266 -0.983 5.163 1.00 0.00 C ATOM 481 CG LEU A 34 -3.037 -0.723 3.868 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.096 -0.238 2.775 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.772 -1.980 3.423 1.00 0.00 C ATOM 0 H LEU A 34 -2.653 1.016 6.549 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.107 -1.372 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.510 -0.206 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.737 -1.931 5.063 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.774 0.057 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.662 -0.058 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.616 0.688 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.335 -0.996 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.315 -1.776 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.053 -2.781 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.475 -2.284 4.198 1.00 0.00 H new ATOM 495 N GLY A 35 -1.570 -1.517 8.261 1.00 0.00 N ATOM 496 CA GLY A 35 -0.920 -2.365 9.243 1.00 0.00 C ATOM 497 C GLY A 35 0.448 -2.834 8.790 1.00 0.00 C ATOM 498 O GLY A 35 0.946 -3.859 9.255 1.00 0.00 O ATOM 0 H GLY A 35 -1.269 -0.543 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.821 -1.819 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.550 -3.232 9.444 1.00 0.00 H new ATOM 502 N LYS A 36 1.057 -2.084 7.877 1.00 0.00 N ATOM 503 CA LYS A 36 2.375 -2.429 7.360 1.00 0.00 C ATOM 504 C LYS A 36 3.471 -1.705 8.136 1.00 0.00 C ATOM 505 O LYS A 36 3.189 -0.934 9.052 1.00 0.00 O ATOM 506 CB LYS A 36 2.470 -2.076 5.873 1.00 0.00 C ATOM 507 CG LYS A 36 1.283 -2.557 5.057 1.00 0.00 C ATOM 508 CD LYS A 36 1.703 -2.981 3.659 1.00 0.00 C ATOM 509 CE LYS A 36 1.881 -1.780 2.743 1.00 0.00 C ATOM 510 NZ LYS A 36 2.850 -2.058 1.646 1.00 0.00 N ATOM 0 H LYS A 36 0.658 -1.233 7.480 1.00 0.00 H new ATOM 0 HA LYS A 36 2.516 -3.503 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.557 -0.994 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.382 -2.510 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.807 -3.396 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.540 -1.762 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.637 -3.541 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.953 -3.652 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.917 -1.504 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.227 -0.927 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.653 -1.401 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.195 -3.036 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.380 -1.932 0.727 1.00 0.00 H new ATOM 524 N SER A 37 4.721 -1.959 7.762 1.00 0.00 N ATOM 525 CA SER A 37 5.860 -1.333 8.425 1.00 0.00 C ATOM 526 C SER A 37 6.528 -0.312 7.509 1.00 0.00 C ATOM 527 O SER A 37 7.687 0.053 7.707 1.00 0.00 O ATOM 528 CB SER A 37 6.875 -2.395 8.852 1.00 0.00 C ATOM 529 OG SER A 37 6.384 -3.164 9.936 1.00 0.00 O ATOM 0 H SER A 37 4.971 -2.594 7.004 1.00 0.00 H new ATOM 0 HA SER A 37 5.494 -0.814 9.311 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.097 -3.049 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.811 -1.914 9.138 1.00 0.00 H new ATOM 0 HG SER A 37 7.051 -3.836 10.189 1.00 0.00 H new ATOM 535 N THR A 38 5.788 0.146 6.504 1.00 0.00 N ATOM 536 CA THR A 38 6.307 1.124 5.557 1.00 0.00 C ATOM 537 C THR A 38 5.180 1.941 4.937 1.00 0.00 C ATOM 538 O THR A 38 4.021 1.525 4.943 1.00 0.00 O ATOM 539 CB THR A 38 7.110 0.444 4.432 1.00 0.00 C ATOM 540 OG1 THR A 38 6.262 -0.435 3.686 1.00 0.00 O ATOM 541 CG2 THR A 38 8.284 -0.339 5.002 1.00 0.00 C ATOM 0 H THR A 38 4.827 -0.145 6.325 1.00 0.00 H new ATOM 0 HA THR A 38 6.967 1.786 6.117 1.00 0.00 H new ATOM 0 HB THR A 38 7.497 1.221 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.780 -0.862 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.836 -0.810 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.944 0.338 5.544 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.914 -1.106 5.682 1.00 0.00 H new ATOM 549 N VAL A 39 5.526 3.107 4.400 1.00 0.00 N ATOM 550 CA VAL A 39 4.543 3.983 3.774 1.00 0.00 C ATOM 551 C VAL A 39 4.152 3.471 2.392 1.00 0.00 C ATOM 552 O VAL A 39 5.001 3.020 1.622 1.00 0.00 O ATOM 553 CB VAL A 39 5.075 5.423 3.645 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.930 6.166 4.964 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.525 5.415 3.184 1.00 0.00 C ATOM 0 H VAL A 39 6.480 3.467 4.386 1.00 0.00 H new ATOM 0 HA VAL A 39 3.665 3.985 4.419 1.00 0.00 H new ATOM 0 HB VAL A 39 4.482 5.946 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.311 7.181 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.878 6.202 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.497 5.648 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.885 6.440 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.134 4.876 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.596 4.923 2.214 1.00 0.00 H new ATOM 565 N VAL A 40 2.861 3.545 2.083 1.00 0.00 N ATOM 566 CA VAL A 40 2.357 3.091 0.792 1.00 0.00 C ATOM 567 C VAL A 40 1.803 4.255 -0.022 1.00 0.00 C ATOM 568 O VAL A 40 1.110 5.131 0.493 1.00 0.00 O ATOM 569 CB VAL A 40 1.256 2.028 0.963 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.784 1.525 -0.394 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.755 0.877 1.823 1.00 0.00 C ATOM 0 H VAL A 40 2.145 3.915 2.709 1.00 0.00 H new ATOM 0 HA VAL A 40 3.200 2.649 0.260 1.00 0.00 H new ATOM 0 HB VAL A 40 0.407 2.488 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.006 0.775 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.384 2.358 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.623 1.082 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.964 0.135 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.621 0.416 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.039 1.253 2.806 1.00 0.00 H new ATOM 581 N PRO A 41 2.116 4.265 -1.327 1.00 0.00 N ATOM 582 CA PRO A 41 1.659 5.316 -2.241 1.00 0.00 C ATOM 583 C PRO A 41 0.158 5.246 -2.501 1.00 0.00 C ATOM 584 O PRO A 41 -0.351 4.237 -2.988 1.00 0.00 O ATOM 585 CB PRO A 41 2.438 5.030 -3.527 1.00 0.00 C ATOM 586 CG PRO A 41 2.750 3.575 -3.466 1.00 0.00 C ATOM 587 CD PRO A 41 2.939 3.253 -2.009 1.00 0.00 C ATOM 0 HA PRO A 41 1.831 6.313 -1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.846 5.271 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.348 5.628 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.941 2.984 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.650 3.344 -4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.608 2.241 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.986 3.322 -1.715 1.00 0.00 H new ATOM 595 N VAL A 42 -0.546 6.325 -2.173 1.00 0.00 N ATOM 596 CA VAL A 42 -1.989 6.386 -2.373 1.00 0.00 C ATOM 597 C VAL A 42 -2.333 6.547 -3.848 1.00 0.00 C ATOM 598 O VAL A 42 -2.070 7.581 -4.464 1.00 0.00 O ATOM 599 CB VAL A 42 -2.616 7.549 -1.580 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.122 7.591 -1.794 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.282 7.426 -0.101 1.00 0.00 C ATOM 0 H VAL A 42 -0.140 7.169 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.400 5.444 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.195 8.485 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.547 8.419 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.335 7.731 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.564 6.654 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.733 8.255 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.673 6.484 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.200 7.450 0.031 1.00 0.00 H new ATOM 611 N PRO A 43 -2.936 5.502 -4.433 1.00 0.00 N ATOM 612 CA PRO A 43 -3.332 5.504 -5.845 1.00 0.00 C ATOM 613 C PRO A 43 -4.492 6.453 -6.121 1.00 0.00 C ATOM 614 O PRO A 43 -5.642 6.027 -6.228 1.00 0.00 O ATOM 615 CB PRO A 43 -3.754 4.053 -6.097 1.00 0.00 C ATOM 616 CG PRO A 43 -4.162 3.541 -4.759 1.00 0.00 C ATOM 617 CD PRO A 43 -3.279 4.238 -3.760 1.00 0.00 C ATOM 0 HA PRO A 43 -2.526 5.847 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.577 3.998 -6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.933 3.468 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.213 3.753 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.038 2.460 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.798 4.412 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.390 3.651 -3.530 1.00 0.00 H new ATOM 625 N TYR A 44 -4.184 7.739 -6.236 1.00 0.00 N ATOM 626 CA TYR A 44 -5.202 8.749 -6.498 1.00 0.00 C ATOM 627 C TYR A 44 -6.058 8.361 -7.700 1.00 0.00 C ATOM 628 O TYR A 44 -7.284 8.463 -7.661 1.00 0.00 O ATOM 629 CB TYR A 44 -4.549 10.111 -6.742 1.00 0.00 C ATOM 630 CG TYR A 44 -3.539 10.496 -5.685 1.00 0.00 C ATOM 631 CD1 TYR A 44 -2.217 10.078 -5.775 1.00 0.00 C ATOM 632 CD2 TYR A 44 -3.907 11.276 -4.596 1.00 0.00 C ATOM 633 CE1 TYR A 44 -1.291 10.427 -4.811 1.00 0.00 C ATOM 634 CE2 TYR A 44 -2.988 11.631 -3.628 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.680 11.204 -3.740 1.00 0.00 C ATOM 636 OH TYR A 44 -0.761 11.554 -2.778 1.00 0.00 O ATOM 0 H TYR A 44 -3.237 8.107 -6.152 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.846 8.814 -5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.058 10.100 -7.715 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.326 10.874 -6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.908 9.470 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.930 11.611 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.267 10.093 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.291 12.239 -2.788 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.197 12.103 -2.094 1.00 0.00 H new ATOM 646 N GLU A 45 -5.402 7.914 -8.766 1.00 0.00 N ATOM 647 CA GLU A 45 -6.102 7.509 -9.979 1.00 0.00 C ATOM 648 C GLU A 45 -7.168 6.461 -9.669 1.00 0.00 C ATOM 649 O GLU A 45 -8.267 6.494 -10.223 1.00 0.00 O ATOM 650 CB GLU A 45 -5.112 6.957 -11.006 1.00 0.00 C ATOM 651 CG GLU A 45 -5.779 6.326 -12.217 1.00 0.00 C ATOM 652 CD GLU A 45 -6.070 7.332 -13.314 1.00 0.00 C ATOM 653 OE1 GLU A 45 -6.974 8.173 -13.121 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.396 7.280 -14.363 1.00 0.00 O ATOM 0 H GLU A 45 -4.387 7.823 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.593 8.389 -10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.460 7.764 -11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.477 6.214 -10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.136 5.539 -12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.710 5.852 -11.908 1.00 0.00 H new ATOM 661 N LYS A 46 -6.834 5.532 -8.781 1.00 0.00 N ATOM 662 CA LYS A 46 -7.760 4.474 -8.395 1.00 0.00 C ATOM 663 C LYS A 46 -8.853 5.015 -7.479 1.00 0.00 C ATOM 664 O LYS A 46 -10.038 4.938 -7.799 1.00 0.00 O ATOM 665 CB LYS A 46 -7.008 3.339 -7.695 1.00 0.00 C ATOM 666 CG LYS A 46 -5.894 2.738 -8.535 1.00 0.00 C ATOM 667 CD LYS A 46 -5.276 1.527 -7.857 1.00 0.00 C ATOM 668 CE LYS A 46 -4.103 0.979 -8.656 1.00 0.00 C ATOM 669 NZ LYS A 46 -4.554 0.120 -9.785 1.00 0.00 N ATOM 0 H LYS A 46 -5.928 5.490 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.228 4.087 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.586 3.715 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.716 2.554 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.287 2.449 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.124 3.489 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.940 1.801 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.031 0.750 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.510 1.807 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.453 0.402 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.725 -0.234 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.099 -0.684 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.153 0.677 -10.427 1.00 0.00 H new ATOM 683 N MET A 47 -8.445 5.562 -6.339 1.00 0.00 N ATOM 684 CA MET A 47 -9.391 6.119 -5.378 1.00 0.00 C ATOM 685 C MET A 47 -10.406 7.020 -6.074 1.00 0.00 C ATOM 686 O MET A 47 -11.608 6.927 -5.822 1.00 0.00 O ATOM 687 CB MET A 47 -8.648 6.906 -4.297 1.00 0.00 C ATOM 688 CG MET A 47 -7.948 6.026 -3.275 1.00 0.00 C ATOM 689 SD MET A 47 -7.101 6.979 -2.000 1.00 0.00 S ATOM 690 CE MET A 47 -8.495 7.645 -1.094 1.00 0.00 C ATOM 0 H MET A 47 -7.467 5.632 -6.058 1.00 0.00 H new ATOM 0 HA MET A 47 -9.927 5.292 -4.911 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.911 7.553 -4.773 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.356 7.555 -3.781 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.680 5.369 -2.806 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.227 5.387 -3.785 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.133 8.274 -0.281 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.114 8.240 -1.765 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.087 6.827 -0.684 1.00 0.00 H new ATOM 700 N LEU A 48 -9.915 7.891 -6.948 1.00 0.00 N ATOM 701 CA LEU A 48 -10.780 8.810 -7.681 1.00 0.00 C ATOM 702 C LEU A 48 -12.022 8.091 -8.200 1.00 0.00 C ATOM 703 O LEU A 48 -13.142 8.582 -8.053 1.00 0.00 O ATOM 704 CB LEU A 48 -10.017 9.440 -8.847 1.00 0.00 C ATOM 705 CG LEU A 48 -9.116 10.625 -8.498 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.198 10.958 -9.662 1.00 0.00 C ATOM 707 CD2 LEU A 48 -9.953 11.836 -8.112 1.00 0.00 C ATOM 0 H LEU A 48 -8.923 7.981 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.097 9.596 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.404 8.668 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.740 9.767 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.499 10.348 -7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.564 11.804 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.573 10.095 -9.891 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.797 11.215 -10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.295 12.670 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.596 12.115 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.568 11.592 -7.246 1.00 0.00 H new ATOM 719 N ARG A 49 -11.816 6.927 -8.806 1.00 0.00 N ATOM 720 CA ARG A 49 -12.918 6.140 -9.346 1.00 0.00 C ATOM 721 C ARG A 49 -13.606 5.341 -8.243 1.00 0.00 C ATOM 722 O ARG A 49 -14.831 5.218 -8.223 1.00 0.00 O ATOM 723 CB ARG A 49 -12.413 5.196 -10.437 1.00 0.00 C ATOM 724 CG ARG A 49 -11.272 5.771 -11.259 1.00 0.00 C ATOM 725 CD ARG A 49 -11.233 5.169 -12.656 1.00 0.00 C ATOM 726 NE ARG A 49 -12.398 5.551 -13.449 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.680 5.031 -14.639 1.00 0.00 C ATOM 728 NH1 ARG A 49 -11.884 4.113 -15.170 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.759 5.430 -15.300 1.00 0.00 N ATOM 0 H ARG A 49 -10.895 6.507 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.644 6.827 -9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.084 4.265 -9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.240 4.948 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.383 6.853 -11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.326 5.581 -10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.326 5.493 -13.165 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.186 4.083 -12.581 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.030 6.256 -13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.053 3.805 -14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.102 3.715 -16.084 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.373 6.137 -14.895 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.974 5.030 -16.213 1.00 0.00 H new ATOM 743 N ASP A 50 -12.810 4.798 -7.329 1.00 0.00 N ATOM 744 CA ASP A 50 -13.341 4.010 -6.222 1.00 0.00 C ATOM 745 C ASP A 50 -12.816 4.525 -4.887 1.00 0.00 C ATOM 746 O ASP A 50 -11.862 3.980 -4.332 1.00 0.00 O ATOM 747 CB ASP A 50 -12.972 2.535 -6.395 1.00 0.00 C ATOM 748 CG ASP A 50 -13.986 1.606 -5.757 1.00 0.00 C ATOM 749 OD1 ASP A 50 -15.028 1.342 -6.391 1.00 0.00 O ATOM 750 OD2 ASP A 50 -13.737 1.144 -4.624 1.00 0.00 O ATOM 0 H ASP A 50 -11.794 4.889 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.427 4.108 -6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.892 2.306 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.991 2.355 -5.955 1.00 0.00 H new ATOM 755 N GLN A 51 -13.445 5.579 -4.376 1.00 0.00 N ATOM 756 CA GLN A 51 -13.039 6.169 -3.106 1.00 0.00 C ATOM 757 C GLN A 51 -13.425 5.266 -1.938 1.00 0.00 C ATOM 758 O GLN A 51 -12.747 5.238 -0.912 1.00 0.00 O ATOM 759 CB GLN A 51 -13.678 7.548 -2.932 1.00 0.00 C ATOM 760 CG GLN A 51 -13.351 8.515 -4.058 1.00 0.00 C ATOM 761 CD GLN A 51 -13.607 9.961 -3.679 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.458 10.252 -2.837 1.00 0.00 O ATOM 763 NE2 GLN A 51 -12.871 10.876 -4.299 1.00 0.00 N ATOM 0 H GLN A 51 -14.237 6.041 -4.822 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.954 6.278 -3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.760 7.432 -2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.345 7.977 -1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.305 8.397 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.948 8.262 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.177 10.590 -4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.999 11.865 -4.084 1.00 0.00 H new ATOM 772 N SER A 52 -14.519 4.530 -2.104 1.00 0.00 N ATOM 773 CA SER A 52 -14.998 3.628 -1.061 1.00 0.00 C ATOM 774 C SER A 52 -13.847 2.821 -0.470 1.00 0.00 C ATOM 775 O SER A 52 -13.684 2.753 0.748 1.00 0.00 O ATOM 776 CB SER A 52 -16.062 2.685 -1.625 1.00 0.00 C ATOM 777 OG SER A 52 -15.608 2.051 -2.808 1.00 0.00 O ATOM 0 H SER A 52 -15.090 4.540 -2.949 1.00 0.00 H new ATOM 0 HA SER A 52 -15.440 4.230 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.316 1.931 -0.880 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.973 3.245 -1.836 1.00 0.00 H new ATOM 0 HG SER A 52 -16.306 1.453 -3.147 1.00 0.00 H new ATOM 783 N ALA A 53 -13.051 2.210 -1.342 1.00 0.00 N ATOM 784 CA ALA A 53 -11.914 1.409 -0.908 1.00 0.00 C ATOM 785 C ALA A 53 -11.251 2.019 0.323 1.00 0.00 C ATOM 786 O ALA A 53 -10.933 1.315 1.282 1.00 0.00 O ATOM 787 CB ALA A 53 -10.904 1.269 -2.037 1.00 0.00 C ATOM 0 H ALA A 53 -13.173 2.255 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.281 0.419 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.060 0.668 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.377 0.782 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.550 2.257 -2.333 1.00 0.00 H new ATOM 793 N VAL A 54 -11.045 3.331 0.290 1.00 0.00 N ATOM 794 CA VAL A 54 -10.420 4.036 1.403 1.00 0.00 C ATOM 795 C VAL A 54 -11.019 5.427 1.579 1.00 0.00 C ATOM 796 O VAL A 54 -11.100 6.205 0.628 1.00 0.00 O ATOM 797 CB VAL A 54 -8.899 4.166 1.202 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.232 4.660 2.476 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.305 2.838 0.759 1.00 0.00 C ATOM 0 H VAL A 54 -11.302 3.928 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.611 3.445 2.299 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.715 4.900 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.157 4.746 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.637 5.636 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.422 3.953 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.229 2.948 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.498 2.081 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.761 2.531 -0.182 1.00 0.00 H new ATOM 809 N VAL A 55 -11.438 5.735 2.803 1.00 0.00 N ATOM 810 CA VAL A 55 -12.028 7.033 3.104 1.00 0.00 C ATOM 811 C VAL A 55 -11.009 7.963 3.752 1.00 0.00 C ATOM 812 O VAL A 55 -10.175 7.530 4.548 1.00 0.00 O ATOM 813 CB VAL A 55 -13.245 6.892 4.039 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.931 8.237 4.227 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.219 5.859 3.492 1.00 0.00 C ATOM 0 H VAL A 55 -11.379 5.103 3.601 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.354 7.460 2.156 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.897 6.549 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.788 8.119 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.228 8.946 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.269 8.611 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.073 5.772 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.564 6.170 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.719 4.894 3.413 1.00 0.00 H new ATOM 825 N VAL A 56 -11.082 9.244 3.407 1.00 0.00 N ATOM 826 CA VAL A 56 -10.166 10.237 3.955 1.00 0.00 C ATOM 827 C VAL A 56 -10.914 11.277 4.781 1.00 0.00 C ATOM 828 O VAL A 56 -11.693 12.065 4.247 1.00 0.00 O ATOM 829 CB VAL A 56 -9.380 10.953 2.840 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.344 11.893 3.437 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.723 9.939 1.917 1.00 0.00 C ATOM 0 H VAL A 56 -11.766 9.619 2.750 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.466 9.701 4.596 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.078 11.548 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.798 12.390 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.843 12.640 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.647 11.323 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.172 10.462 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.036 9.316 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.489 9.311 1.463 1.00 0.00 H new ATOM 841 N GLN A 57 -10.672 11.272 6.088 1.00 0.00 N ATOM 842 CA GLN A 57 -11.323 12.215 6.990 1.00 0.00 C ATOM 843 C GLN A 57 -10.374 13.344 7.376 1.00 0.00 C ATOM 844 O GLN A 57 -9.160 13.232 7.211 1.00 0.00 O ATOM 845 CB GLN A 57 -11.815 11.495 8.246 1.00 0.00 C ATOM 846 CG GLN A 57 -12.988 10.561 7.993 1.00 0.00 C ATOM 847 CD GLN A 57 -13.794 10.285 9.247 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.341 10.545 10.361 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.998 9.752 9.071 1.00 0.00 N ATOM 0 H GLN A 57 -10.030 10.625 6.546 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.177 12.646 6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.991 10.923 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.106 12.237 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.639 10.998 7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.617 9.619 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.335 9.552 8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.586 9.542 9.878 1.00 0.00 H new ATOM 858 N GLY A 58 -10.935 14.435 7.889 1.00 0.00 N ATOM 859 CA GLY A 58 -10.124 15.569 8.289 1.00 0.00 C ATOM 860 C GLY A 58 -10.015 16.617 7.199 1.00 0.00 C ATOM 861 O GLY A 58 -9.347 17.637 7.374 1.00 0.00 O ATOM 0 H GLY A 58 -11.938 14.553 8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.554 16.022 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.126 15.222 8.556 1.00 0.00 H new ATOM 865 N LEU A 59 -10.670 16.366 6.072 1.00 0.00 N ATOM 866 CA LEU A 59 -10.643 17.295 4.948 1.00 0.00 C ATOM 867 C LEU A 59 -11.535 18.502 5.217 1.00 0.00 C ATOM 868 O LEU A 59 -12.547 18.414 5.912 1.00 0.00 O ATOM 869 CB LEU A 59 -11.091 16.590 3.666 1.00 0.00 C ATOM 870 CG LEU A 59 -10.034 15.735 2.965 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.467 15.412 1.543 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.688 16.444 2.967 1.00 0.00 C ATOM 0 H LEU A 59 -11.227 15.527 5.912 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.618 17.645 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.944 15.955 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.442 17.346 2.963 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.929 14.798 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.703 14.803 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.408 14.863 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.600 16.338 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.948 15.821 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.777 17.396 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.373 16.624 3.995 1.00 0.00 H new ATOM 884 N PRO A 60 -11.155 19.657 4.652 1.00 0.00 N ATOM 885 CA PRO A 60 -11.909 20.904 4.815 1.00 0.00 C ATOM 886 C PRO A 60 -13.246 20.873 4.082 1.00 0.00 C ATOM 887 O PRO A 60 -13.578 19.890 3.420 1.00 0.00 O ATOM 888 CB PRO A 60 -10.987 21.959 4.199 1.00 0.00 C ATOM 889 CG PRO A 60 -10.148 21.207 3.223 1.00 0.00 C ATOM 890 CD PRO A 60 -9.960 19.836 3.810 1.00 0.00 C ATOM 0 HA PRO A 60 -12.161 21.094 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.559 22.745 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.373 22.441 4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.636 21.151 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.189 21.701 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.897 19.072 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.043 19.772 4.396 1.00 0.00 H new ATOM 898 N GLU A 61 -14.009 21.955 4.204 1.00 0.00 N ATOM 899 CA GLU A 61 -15.310 22.049 3.553 1.00 0.00 C ATOM 900 C GLU A 61 -15.154 22.387 2.074 1.00 0.00 C ATOM 901 O GLU A 61 -14.117 22.892 1.646 1.00 0.00 O ATOM 902 CB GLU A 61 -16.174 23.107 4.242 1.00 0.00 C ATOM 903 CG GLU A 61 -16.028 24.496 3.643 1.00 0.00 C ATOM 904 CD GLU A 61 -14.608 25.018 3.720 1.00 0.00 C ATOM 905 OE1 GLU A 61 -13.985 24.892 4.795 1.00 0.00 O ATOM 906 OE2 GLU A 61 -14.117 25.554 2.704 1.00 0.00 O ATOM 0 H GLU A 61 -13.749 22.778 4.747 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.801 21.080 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.219 22.804 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.911 23.147 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.347 24.473 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.693 25.184 4.165 1.00 0.00 H new ATOM 913 N GLY A 62 -16.196 22.105 1.295 1.00 0.00 N ATOM 914 CA GLY A 62 -16.155 22.385 -0.127 1.00 0.00 C ATOM 915 C GLY A 62 -14.949 21.766 -0.806 1.00 0.00 C ATOM 916 O GLY A 62 -14.556 22.186 -1.895 1.00 0.00 O ATOM 0 H GLY A 62 -17.066 21.688 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.065 22.008 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.141 23.464 -0.281 1.00 0.00 H new ATOM 920 N VAL A 63 -14.357 20.767 -0.161 1.00 0.00 N ATOM 921 CA VAL A 63 -13.187 20.090 -0.709 1.00 0.00 C ATOM 922 C VAL A 63 -13.511 18.647 -1.081 1.00 0.00 C ATOM 923 O VAL A 63 -14.576 18.133 -0.743 1.00 0.00 O ATOM 924 CB VAL A 63 -12.014 20.099 0.290 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.196 19.010 1.337 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.691 19.931 -0.441 1.00 0.00 C ATOM 0 H VAL A 63 -14.668 20.408 0.742 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.896 20.637 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.001 21.062 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.358 19.032 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.125 19.180 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.235 18.037 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.873 19.940 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.690 18.983 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.560 20.750 -1.148 1.00 0.00 H new ATOM 936 N ALA A 64 -12.584 18.000 -1.780 1.00 0.00 N ATOM 937 CA ALA A 64 -12.771 16.616 -2.197 1.00 0.00 C ATOM 938 C ALA A 64 -11.431 15.901 -2.340 1.00 0.00 C ATOM 939 O ALA A 64 -10.599 16.279 -3.165 1.00 0.00 O ATOM 940 CB ALA A 64 -13.545 16.557 -3.506 1.00 0.00 C ATOM 0 H ALA A 64 -11.697 18.412 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.347 16.105 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.677 15.517 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.522 17.023 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.992 17.089 -4.280 1.00 0.00 H new ATOM 946 N PHE A 65 -11.229 14.866 -1.532 1.00 0.00 N ATOM 947 CA PHE A 65 -9.989 14.099 -1.568 1.00 0.00 C ATOM 948 C PHE A 65 -9.440 14.017 -2.988 1.00 0.00 C ATOM 949 O PHE A 65 -10.043 13.397 -3.865 1.00 0.00 O ATOM 950 CB PHE A 65 -10.221 12.689 -1.016 1.00 0.00 C ATOM 951 CG PHE A 65 -9.043 11.775 -1.197 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.993 11.787 -0.292 1.00 0.00 C ATOM 953 CD2 PHE A 65 -8.986 10.902 -2.271 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.909 10.947 -0.456 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.903 10.059 -2.441 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.865 10.081 -1.531 1.00 0.00 C ATOM 0 H PHE A 65 -11.908 14.539 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.256 14.611 -0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.458 12.757 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.089 12.252 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.023 12.461 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.797 10.879 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.097 10.967 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.869 9.385 -3.284 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.019 9.422 -1.660 1.00 0.00 H new ATOM 966 N LYS A 66 -8.293 14.649 -3.211 1.00 0.00 N ATOM 967 CA LYS A 66 -7.660 14.648 -4.524 1.00 0.00 C ATOM 968 C LYS A 66 -6.177 14.988 -4.414 1.00 0.00 C ATOM 969 O LYS A 66 -5.696 15.377 -3.349 1.00 0.00 O ATOM 970 CB LYS A 66 -8.355 15.652 -5.447 1.00 0.00 C ATOM 971 CG LYS A 66 -8.249 17.090 -4.974 1.00 0.00 C ATOM 972 CD LYS A 66 -8.875 18.053 -5.967 1.00 0.00 C ATOM 973 CE LYS A 66 -10.360 18.245 -5.698 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.862 19.533 -6.252 1.00 0.00 N ATOM 0 H LYS A 66 -7.782 15.169 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.755 13.647 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.923 15.574 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.408 15.384 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.741 17.193 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.200 17.349 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.367 19.016 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.734 17.676 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.918 17.418 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.541 18.217 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.878 19.626 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.347 20.323 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.713 19.550 -7.281 1.00 0.00 H new ATOM 988 N HIS A 67 -5.456 14.838 -5.520 1.00 0.00 N ATOM 989 CA HIS A 67 -4.027 15.129 -5.547 1.00 0.00 C ATOM 990 C HIS A 67 -3.720 16.412 -4.782 1.00 0.00 C ATOM 991 O HIS A 67 -4.467 17.390 -4.835 1.00 0.00 O ATOM 992 CB HIS A 67 -3.539 15.254 -6.992 1.00 0.00 C ATOM 993 CG HIS A 67 -2.124 14.802 -7.186 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.054 15.671 -7.215 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.607 13.564 -7.360 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.061 14.986 -7.401 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.247 13.705 -7.491 1.00 0.00 N ATOM 0 H HIS A 67 -5.838 14.517 -6.410 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.503 14.304 -5.064 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.191 14.668 -7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.627 16.293 -7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.161 12.637 -7.390 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.055 15.403 -7.468 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.417 12.944 -7.634 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.595 16.411 -4.050 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.165 17.567 -3.259 1.00 0.00 C ATOM 1007 C PRO A 68 -1.711 18.731 -4.132 1.00 0.00 C ATOM 1008 O PRO A 68 -1.448 19.826 -3.636 1.00 0.00 O ATOM 1009 CB PRO A 68 -0.990 17.020 -2.444 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.466 15.883 -3.250 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.659 15.281 -3.940 1.00 0.00 C ATOM 0 HA PRO A 68 -2.975 17.968 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.226 17.782 -2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.313 16.690 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.272 16.226 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.029 15.149 -2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.397 14.880 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.085 14.461 -3.363 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.624 18.487 -5.436 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.201 19.517 -6.378 1.00 0.00 C ATOM 1021 C GLU A 69 -2.402 20.297 -6.907 1.00 0.00 C ATOM 1022 O GLU A 69 -2.251 21.370 -7.489 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.434 18.889 -7.544 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.332 18.345 -8.642 1.00 0.00 C ATOM 1025 CD GLU A 69 -1.759 19.413 -9.631 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -0.903 20.235 -10.021 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -2.947 19.427 -10.014 1.00 0.00 O ATOM 0 H GLU A 69 -1.840 17.587 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.544 20.208 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.236 19.635 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.190 18.081 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.808 17.551 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.218 17.897 -8.192 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.595 19.747 -6.700 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.822 20.390 -7.155 1.00 0.00 C ATOM 1036 C ASN A 70 -5.369 21.335 -6.090 1.00 0.00 C ATOM 1037 O ASN A 70 -6.325 22.073 -6.331 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.873 19.336 -7.508 1.00 0.00 C ATOM 1039 CG ASN A 70 -6.846 19.821 -8.565 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -7.291 20.968 -8.536 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -7.181 18.946 -9.506 1.00 0.00 N ATOM 0 H ASN A 70 -3.737 18.858 -6.220 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.589 20.973 -8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.374 18.434 -7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.425 19.062 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.832 19.215 -10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.787 18.005 -9.491 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.756 21.309 -4.913 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.182 22.161 -3.809 1.00 0.00 C ATOM 1050 C TYR A 71 -4.426 23.486 -3.820 1.00 0.00 C ATOM 1051 O TYR A 71 -3.197 23.513 -3.745 1.00 0.00 O ATOM 1052 CB TYR A 71 -4.965 21.448 -2.473 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.817 20.212 -2.300 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.157 20.210 -2.669 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.283 19.044 -1.769 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -7.940 19.083 -2.512 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.058 17.911 -1.611 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.385 17.935 -1.984 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.162 16.810 -1.828 1.00 0.00 O ATOM 0 H TYR A 71 -3.961 20.707 -4.698 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.245 22.369 -3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.915 21.170 -2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.179 22.143 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.594 21.105 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.244 19.021 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.981 19.100 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.626 17.011 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.090 17.018 -2.063 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.169 24.583 -3.914 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.570 25.912 -3.933 1.00 0.00 C ATOM 1071 C ASP A 72 -3.561 26.071 -2.801 1.00 0.00 C ATOM 1072 O ASP A 72 -3.726 25.497 -1.723 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.656 26.985 -3.820 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.935 26.592 -4.533 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.854 25.836 -5.525 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -8.017 27.040 -4.099 1.00 0.00 O ATOM 0 H ASP A 72 -6.187 24.578 -3.978 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.046 26.034 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.872 27.170 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.283 27.920 -4.238 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.517 26.852 -3.051 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.478 27.085 -2.052 1.00 0.00 C ATOM 1083 C LEU A 73 -2.088 27.268 -0.666 1.00 0.00 C ATOM 1084 O LEU A 73 -1.635 26.667 0.307 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.652 28.317 -2.425 1.00 0.00 C ATOM 1086 CG LEU A 73 0.431 28.726 -1.427 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.135 27.498 -0.870 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.433 29.665 -2.082 1.00 0.00 C ATOM 0 H LEU A 73 -2.366 27.335 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.826 26.212 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.179 28.134 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.332 29.159 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.045 29.254 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.903 27.809 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.410 26.861 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.598 26.943 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.197 29.946 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.903 29.163 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.918 30.560 -2.432 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.120 28.101 -0.585 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.795 28.360 0.681 1.00 0.00 C ATOM 1102 C ALA A 74 -4.376 27.077 1.266 1.00 0.00 C ATOM 1103 O ALA A 74 -4.299 26.842 2.472 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.891 29.399 0.492 1.00 0.00 C ATOM 0 H ALA A 74 -3.507 28.608 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.058 28.748 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.387 29.583 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.453 30.328 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.620 29.032 -0.231 1.00 0.00 H new ATOM 1110 N THR A 75 -4.957 26.249 0.404 1.00 0.00 N ATOM 1111 CA THR A 75 -5.553 24.991 0.835 1.00 0.00 C ATOM 1112 C THR A 75 -4.488 24.023 1.339 1.00 0.00 C ATOM 1113 O THR A 75 -4.543 23.563 2.480 1.00 0.00 O ATOM 1114 CB THR A 75 -6.341 24.321 -0.306 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.314 25.232 -0.831 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.033 23.058 0.183 1.00 0.00 C ATOM 0 H THR A 75 -5.027 26.427 -0.598 1.00 0.00 H new ATOM 0 HA THR A 75 -6.239 25.229 1.648 1.00 0.00 H new ATOM 0 HB THR A 75 -5.637 24.049 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.809 24.799 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.583 22.602 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.287 22.355 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.725 23.310 0.986 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.520 23.718 0.482 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.441 22.805 0.841 1.00 0.00 C ATOM 1126 C LEU A 76 -1.989 23.033 2.279 1.00 0.00 C ATOM 1127 O LEU A 76 -1.857 22.089 3.058 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.257 22.984 -0.112 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.315 22.182 -1.413 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.302 22.714 -2.414 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.072 20.705 -1.140 1.00 0.00 C ATOM 0 H LEU A 76 -3.460 24.089 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.818 21.786 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.176 24.041 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.345 22.712 0.419 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.311 22.293 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.358 22.131 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.521 23.759 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.701 22.634 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.117 20.150 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.089 20.575 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.836 20.330 -0.459 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.755 24.294 2.627 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.322 24.649 3.973 1.00 0.00 C ATOM 1145 C LYS A 77 -2.307 24.130 5.016 1.00 0.00 C ATOM 1146 O LYS A 77 -1.910 23.516 6.006 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.178 26.167 4.102 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.013 26.737 3.313 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.291 28.158 2.854 1.00 0.00 C ATOM 1150 CE LYS A 77 0.943 28.798 2.237 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.762 29.515 3.253 1.00 0.00 N ATOM 0 H LYS A 77 -1.858 25.088 1.995 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.353 24.183 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.100 26.641 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.053 26.424 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.886 26.722 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.184 26.106 2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.102 28.154 2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.627 28.756 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.550 28.030 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.639 29.496 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.594 29.937 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.191 30.265 3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.074 28.844 3.984 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.591 24.381 4.786 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.632 23.939 5.706 1.00 0.00 C ATOM 1167 C TRP A 78 -4.457 22.465 6.059 1.00 0.00 C ATOM 1168 O TRP A 78 -4.324 22.110 7.231 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.014 24.167 5.093 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.136 23.981 6.070 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.754 24.951 6.804 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.771 22.746 6.418 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.736 24.395 7.589 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.767 23.044 7.369 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.597 21.418 6.018 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.582 22.061 7.926 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.407 20.445 6.572 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.390 20.769 7.517 1.00 0.00 C ATOM 0 H TRP A 78 -3.936 24.888 3.971 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.546 24.526 6.621 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.061 25.177 4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.151 23.480 4.258 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.508 26.002 6.773 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.343 24.906 8.231 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.844 21.157 5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.339 22.310 8.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.280 19.416 6.271 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.007 19.985 7.930 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.457 21.613 5.039 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.296 20.179 5.243 1.00 0.00 C ATOM 1191 C ILE A 79 -3.201 19.888 6.264 1.00 0.00 C ATOM 1192 O ILE A 79 -3.419 19.160 7.233 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.959 19.457 3.925 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.135 19.550 2.952 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.599 18.004 4.193 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.809 19.054 1.560 1.00 0.00 C ATOM 0 H ILE A 79 -4.567 21.891 4.064 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.248 19.805 5.619 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.097 19.946 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.970 18.973 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.465 20.587 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.364 17.508 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.733 17.960 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.442 17.502 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.689 19.150 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.995 19.647 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.508 18.007 1.608 1.00 0.00 H new ATOM 1208 N LEU A 80 -2.024 20.462 6.040 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.894 20.266 6.942 1.00 0.00 C ATOM 1210 C LEU A 80 -1.230 20.750 8.349 1.00 0.00 C ATOM 1211 O LEU A 80 -0.836 20.133 9.338 1.00 0.00 O ATOM 1212 CB LEU A 80 0.337 21.005 6.415 1.00 0.00 C ATOM 1213 CG LEU A 80 1.137 20.289 5.327 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.294 21.155 4.856 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.644 18.946 5.834 1.00 0.00 C ATOM 0 H LEU A 80 -1.827 21.066 5.242 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.677 19.199 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.016 21.971 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.003 21.205 7.255 1.00 0.00 H new ATOM 0 HG LEU A 80 0.478 20.109 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.851 20.628 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.907 22.090 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.954 21.369 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.211 18.450 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.287 19.103 6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.797 18.322 6.119 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.961 21.857 8.429 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.351 22.423 9.716 1.00 0.00 C ATOM 1229 C GLU A 81 -3.230 21.448 10.495 1.00 0.00 C ATOM 1230 O GLU A 81 -2.921 21.090 11.630 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.093 23.745 9.512 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.189 24.966 9.580 1.00 0.00 C ATOM 1233 CD GLU A 81 -1.299 24.967 10.807 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -1.735 24.448 11.856 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -0.167 25.486 10.718 1.00 0.00 O ATOM 0 H GLU A 81 -2.295 22.380 7.619 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.445 22.608 10.293 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.592 23.726 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.871 23.836 10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.567 25.003 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.802 25.867 9.580 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.326 21.025 9.874 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.251 20.094 10.510 1.00 0.00 C ATOM 1244 C ASN A 82 -4.983 18.663 10.051 1.00 0.00 C ATOM 1245 O ASN A 82 -5.910 17.890 9.814 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.697 20.480 10.189 1.00 0.00 C ATOM 1247 CG ASN A 82 -7.063 21.849 10.730 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.992 21.986 11.526 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.332 22.870 10.297 1.00 0.00 N ATOM 0 H ASN A 82 -4.595 21.311 8.933 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.097 20.147 11.588 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.842 20.468 9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.371 19.734 10.609 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.531 23.815 10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.571 22.709 9.637 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.705 18.317 9.931 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.312 16.979 9.505 1.00 0.00 C ATOM 1258 C LYS A 83 -3.391 15.993 10.665 1.00 0.00 C ATOM 1259 O LYS A 83 -4.039 14.951 10.563 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.891 17.000 8.935 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.831 17.362 9.961 1.00 0.00 C ATOM 1262 CD LYS A 83 0.499 17.683 9.298 1.00 0.00 C ATOM 1263 CE LYS A 83 1.353 16.436 9.129 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.719 16.761 8.634 1.00 0.00 N ATOM 0 H LYS A 83 -2.924 18.945 10.123 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.004 16.654 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.661 16.020 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.848 17.715 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.165 18.221 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.701 16.535 10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.321 18.138 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.038 18.416 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.427 15.915 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.867 15.755 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.280 15.888 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.652 17.205 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.181 17.417 9.295 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.729 16.328 11.767 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.728 15.473 12.948 1.00 0.00 C ATOM 1280 C ALA A 84 -4.081 14.796 13.136 1.00 0.00 C ATOM 1281 O ALA A 84 -4.159 13.661 13.605 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.364 16.281 14.184 1.00 0.00 C ATOM 0 H ALA A 84 -2.186 17.186 11.867 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.979 14.695 12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.367 15.630 15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.371 16.713 14.057 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.092 17.080 14.324 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.147 15.500 12.768 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.484 14.951 12.905 1.00 0.00 C ATOM 1290 C GLY A 85 -6.866 14.059 11.741 1.00 0.00 C ATOM 1291 O GLY A 85 -7.534 13.041 11.924 1.00 0.00 O ATOM 0 H GLY A 85 -5.109 16.441 12.377 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.546 14.380 13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.202 15.767 12.984 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.444 14.442 10.540 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.747 13.670 9.342 1.00 0.00 C ATOM 1297 C ILE A 86 -6.540 12.178 9.583 1.00 0.00 C ATOM 1298 O ILE A 86 -5.468 11.751 10.011 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.876 14.111 8.151 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.437 15.391 7.529 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.794 13.002 7.114 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.645 15.882 6.337 1.00 0.00 C ATOM 0 H ILE A 86 -5.891 15.283 10.372 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.794 13.856 9.104 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.868 14.316 8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.468 15.214 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.460 16.174 8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.175 13.330 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.353 12.113 7.566 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.795 12.767 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.100 16.793 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.620 16.091 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.644 15.117 5.561 1.00 0.00 H new ATOM 1314 N SER A 87 -7.573 11.390 9.303 1.00 0.00 N ATOM 1315 CA SER A 87 -7.506 9.945 9.490 1.00 0.00 C ATOM 1316 C SER A 87 -7.844 9.213 8.196 1.00 0.00 C ATOM 1317 O SER A 87 -8.418 9.792 7.273 1.00 0.00 O ATOM 1318 CB SER A 87 -8.463 9.509 10.602 1.00 0.00 C ATOM 1319 OG SER A 87 -7.984 8.350 11.260 1.00 0.00 O ATOM 0 H SER A 87 -8.467 11.728 8.946 1.00 0.00 H new ATOM 0 HA SER A 87 -6.486 9.687 9.776 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.581 10.318 11.323 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.449 9.311 10.181 1.00 0.00 H new ATOM 0 HG SER A 87 -8.612 8.092 11.967 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.484 7.935 8.135 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.748 7.122 6.954 1.00 0.00 C ATOM 1327 C PHE A 88 -8.379 5.788 7.341 1.00 0.00 C ATOM 1328 O PHE A 88 -7.842 5.053 8.170 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.453 6.879 6.175 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.178 7.922 5.129 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.947 9.239 5.489 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.151 7.583 3.786 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.692 10.201 4.530 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.897 8.541 2.821 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.668 9.851 3.194 1.00 0.00 C ATOM 0 H PHE A 88 -7.009 7.440 8.890 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.449 7.665 6.320 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.618 6.848 6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.504 5.901 5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.966 9.518 6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.330 6.560 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.512 11.224 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.878 8.265 1.777 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.470 10.601 2.442 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.522 5.483 6.736 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.227 4.238 7.017 1.00 0.00 C ATOM 1347 C ILE A 89 -10.248 3.331 5.792 1.00 0.00 C ATOM 1348 O ILE A 89 -10.899 3.636 4.792 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.674 4.501 7.473 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.698 5.542 8.595 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.328 3.206 7.931 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.867 6.961 8.099 1.00 0.00 C ATOM 0 H ILE A 89 -9.980 6.081 6.048 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.686 3.743 7.823 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.240 4.893 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.512 5.306 9.281 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.771 5.473 9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.350 3.408 8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.339 2.493 7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.763 2.788 8.764 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.875 7.645 8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.040 7.216 7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.808 7.047 7.555 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.535 2.213 5.879 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.475 1.259 4.779 1.00 0.00 C ATOM 1366 C ILE A 90 -10.701 0.353 4.768 1.00 0.00 C ATOM 1367 O ILE A 90 -10.893 -0.461 5.672 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.207 0.387 4.858 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.225 0.776 3.752 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.571 -1.087 4.757 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.229 1.835 4.172 1.00 0.00 C ATOM 0 H ILE A 90 -8.991 1.946 6.700 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.449 1.842 3.858 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.726 0.557 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.683 -0.113 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.786 1.138 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.665 -1.690 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.237 -1.354 5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.072 -1.274 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.565 2.061 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.762 2.739 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.642 1.469 5.014 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.529 0.498 3.739 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.737 -0.308 3.608 1.00 0.00 C ATOM 1385 C LYS A 91 -12.472 -1.551 2.764 1.00 0.00 C ATOM 1386 O LYS A 91 -13.086 -2.597 2.974 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.860 0.518 2.979 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.024 1.895 3.600 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.053 1.885 4.717 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.434 3.295 5.138 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.790 3.344 5.750 1.00 0.00 N ATOM 0 H LYS A 91 -11.385 1.167 2.983 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.042 -0.625 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.663 0.631 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.798 -0.028 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.065 2.235 3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.326 2.607 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.944 1.350 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.655 1.343 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.700 3.672 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.403 3.954 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.012 4.322 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.494 3.008 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.813 2.735 6.593 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.553 -1.430 1.812 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.207 -2.544 0.937 1.00 0.00 C ATOM 1407 C ARG A 92 -10.109 -2.144 -0.044 1.00 0.00 C ATOM 1408 O ARG A 92 -10.222 -1.158 -0.773 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.442 -3.020 0.170 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.116 -3.930 -1.003 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.621 -3.137 -2.202 1.00 0.00 C ATOM 1412 NE ARG A 92 -11.981 -3.774 -3.466 1.00 0.00 N ATOM 1413 CZ ARG A 92 -11.458 -4.920 -3.888 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -10.556 -5.552 -3.149 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -11.836 -5.437 -5.049 1.00 0.00 N ATOM 0 H ARG A 92 -11.034 -0.571 1.627 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.836 -3.360 1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.104 -3.548 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.989 -2.151 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.356 -4.652 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.004 -4.498 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.041 -2.132 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.538 -3.032 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.672 -3.313 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.263 -5.158 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.156 -6.432 -3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.530 -4.955 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.433 -6.317 -5.371 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.019 -2.926 -0.063 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.879 -2.674 -0.949 1.00 0.00 C ATOM 1431 C PRO A 93 -8.214 -2.937 -2.414 1.00 0.00 C ATOM 1432 O PRO A 93 -8.567 -4.055 -2.789 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.821 -3.665 -0.458 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.599 -4.765 0.179 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.817 -4.118 0.778 1.00 0.00 C ATOM 0 HA PRO A 93 -7.558 -1.633 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.213 -4.036 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.141 -3.197 0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.880 -5.520 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.008 -5.268 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.681 -4.782 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.657 -3.850 1.822 1.00 0.00 H new