USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 683 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 15 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.27) USER MOD Single : A 26 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.5!) USER MOD Single : A 29 SER OG : rot -162:sc= -0.634 USER MOD Single : A 30 SER OG : rot 180:sc= 0.011 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -26:sc= 0.198 USER MOD Single : A 38 SER OG : rot 120:sc= -0.652 USER MOD Single : A 41 ASN : amide:sc= -0.345 K(o=-0.35,f=-1.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 55 HIS : no HD1:sc= -0.0758 X(o=-0.076,f=-0.21) USER MOD Single : A 57 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.4!) USER MOD Single : A 60 ASN : amide:sc= 0.221 K(o=0.22,f=-4.1!) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.08 F(o=-1.7!,f=-1.1) USER MOD Single : A 69 TYR OH : rot -158:sc= 0.142 USER MOD Single : A 70 HIS : no HE2:sc= -3.99! C(o=-4!,f=-4.5!) USER MOD Single : A 73 THR OG1 : rot 116:sc= 0.0267 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0297 F(o=-1.2,f=-0.03) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -103:sc= 1.25 USER MOD Single : A 84 THR OG1 : rot -25:sc= 0.5 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.168 K(o=-0.17,f=-3.4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -14.908 -7.192 10.142 1.00 0.00 N ATOM 174 CA VAL A 14 -15.221 -5.975 9.402 1.00 0.00 C ATOM 175 C VAL A 14 -16.235 -6.249 8.297 1.00 0.00 C ATOM 176 O VAL A 14 -16.171 -7.276 7.621 1.00 0.00 O ATOM 177 CB VAL A 14 -13.955 -5.356 8.780 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.318 -4.172 7.897 1.00 0.00 C ATOM 179 CG2 VAL A 14 -12.976 -4.940 9.868 1.00 0.00 C ATOM 0 HA VAL A 14 -15.648 -5.271 10.116 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.472 -6.109 8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.411 -3.748 7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.979 -4.504 7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.825 -3.414 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.087 -4.505 9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.447 -4.203 10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.691 -5.813 10.455 1.00 0.00 H new ATOM 189 N HIS A 15 -17.171 -5.322 8.118 1.00 0.00 N ATOM 190 CA HIS A 15 -18.199 -5.462 7.093 1.00 0.00 C ATOM 191 C HIS A 15 -18.289 -4.202 6.237 1.00 0.00 C ATOM 192 O HIS A 15 -18.706 -3.146 6.713 1.00 0.00 O ATOM 193 CB HIS A 15 -19.555 -5.753 7.737 1.00 0.00 C ATOM 194 CG HIS A 15 -19.768 -7.201 8.055 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.400 -8.221 7.203 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.315 -7.798 9.139 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.712 -9.383 7.749 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.269 -9.154 8.925 1.00 0.00 N ATOM 0 H HIS A 15 -17.239 -4.466 8.669 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.924 -6.298 6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.645 -5.171 8.654 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.346 -5.416 7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.714 -7.301 10.011 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.541 -10.354 7.309 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.609 -9.868 9.569 1.00 0.00 H new ATOM 206 N ILE A 16 -17.895 -4.322 4.974 1.00 0.00 N ATOM 207 CA ILE A 16 -17.932 -3.192 4.053 1.00 0.00 C ATOM 208 C ILE A 16 -19.351 -2.655 3.898 1.00 0.00 C ATOM 209 O ILE A 16 -20.140 -3.175 3.108 1.00 0.00 O ATOM 210 CB ILE A 16 -17.388 -3.580 2.665 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.946 -4.077 2.780 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.472 -2.395 1.714 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.977 -3.017 3.254 1.00 0.00 C ATOM 0 H ILE A 16 -17.547 -5.189 4.565 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.297 -2.416 4.480 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.000 -4.388 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.915 -4.920 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.620 -4.448 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.084 -2.684 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.511 -2.082 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.881 -1.569 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.974 -3.440 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.979 -2.183 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.279 -2.663 4.240 1.00 0.00 H new ATOM 225 N ILE A 17 -19.668 -1.611 4.656 1.00 0.00 N ATOM 226 CA ILE A 17 -20.991 -1.001 4.601 1.00 0.00 C ATOM 227 C ILE A 17 -21.198 -0.254 3.288 1.00 0.00 C ATOM 228 O ILE A 17 -22.057 -0.618 2.485 1.00 0.00 O ATOM 229 CB ILE A 17 -21.211 -0.027 5.773 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.792 -0.679 7.092 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.667 0.411 5.831 1.00 0.00 C ATOM 232 CD1 ILE A 17 -20.961 0.226 8.293 1.00 0.00 C ATOM 0 H ILE A 17 -19.027 -1.170 5.315 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.715 -1.812 4.673 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.592 0.856 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.380 -1.584 7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.748 -0.985 7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.807 1.099 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.934 0.910 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.304 -0.462 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.645 -0.301 9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.352 1.120 8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.009 0.512 8.389 1.00 0.00 H new ATOM 244 N GLU A 18 -20.403 0.790 3.076 1.00 0.00 N ATOM 245 CA GLU A 18 -20.499 1.588 1.859 1.00 0.00 C ATOM 246 C GLU A 18 -19.152 1.656 1.145 1.00 0.00 C ATOM 247 O GLU A 18 -18.387 2.603 1.329 1.00 0.00 O ATOM 248 CB GLU A 18 -20.988 3.000 2.185 1.00 0.00 C ATOM 249 CG GLU A 18 -22.248 3.028 3.034 1.00 0.00 C ATOM 250 CD GLU A 18 -22.923 4.386 3.033 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.515 5.251 2.231 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.859 4.583 3.836 1.00 0.00 O ATOM 0 H GLU A 18 -19.686 1.103 3.730 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.218 1.107 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.197 3.538 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.176 3.534 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.948 2.279 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.998 2.752 4.058 1.00 0.00 H new ATOM 259 N ASP A 19 -18.868 0.645 0.332 1.00 0.00 N ATOM 260 CA ASP A 19 -17.614 0.589 -0.410 1.00 0.00 C ATOM 261 C ASP A 19 -17.391 1.877 -1.198 1.00 0.00 C ATOM 262 O ASP A 19 -18.345 2.548 -1.593 1.00 0.00 O ATOM 263 CB ASP A 19 -17.611 -0.611 -1.359 1.00 0.00 C ATOM 264 CG ASP A 19 -16.568 -0.482 -2.452 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.373 -0.343 -2.118 1.00 0.00 O ATOM 266 OD2 ASP A 19 -16.947 -0.518 -3.641 1.00 0.00 O ATOM 0 H ASP A 19 -19.489 -0.147 0.170 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.801 0.477 0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.425 -1.521 -0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.597 -0.715 -1.812 1.00 0.00 H new ATOM 271 N LEU A 20 -16.126 2.216 -1.421 1.00 0.00 N ATOM 272 CA LEU A 20 -15.777 3.424 -2.160 1.00 0.00 C ATOM 273 C LEU A 20 -16.534 3.491 -3.483 1.00 0.00 C ATOM 274 O LEU A 20 -17.146 2.512 -3.908 1.00 0.00 O ATOM 275 CB LEU A 20 -14.270 3.469 -2.420 1.00 0.00 C ATOM 276 CG LEU A 20 -13.373 3.322 -1.190 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.161 2.462 -1.514 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.938 4.689 -0.681 1.00 0.00 C ATOM 0 H LEU A 20 -15.325 1.671 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.062 4.285 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.019 2.676 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.033 4.415 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.944 2.828 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.534 2.368 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.491 1.473 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.588 2.928 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.300 4.565 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.384 5.209 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.817 5.273 -0.410 1.00 0.00 H new ATOM 290 N GLU A 21 -16.486 4.652 -4.128 1.00 0.00 N ATOM 291 CA GLU A 21 -17.167 4.845 -5.403 1.00 0.00 C ATOM 292 C GLU A 21 -16.161 5.024 -6.536 1.00 0.00 C ATOM 293 O GLU A 21 -15.928 4.108 -7.325 1.00 0.00 O ATOM 294 CB GLU A 21 -18.094 6.061 -5.332 1.00 0.00 C ATOM 295 CG GLU A 21 -19.257 5.884 -4.371 1.00 0.00 C ATOM 296 CD GLU A 21 -20.497 6.639 -4.810 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.618 7.833 -4.464 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.345 6.036 -5.500 1.00 0.00 O ATOM 0 H GLU A 21 -15.983 5.472 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.762 3.955 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.513 6.933 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.485 6.268 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.494 4.824 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.960 6.226 -3.380 1.00 0.00 H new ATOM 305 N ASP A 22 -15.567 6.210 -6.610 1.00 0.00 N ATOM 306 CA ASP A 22 -14.585 6.511 -7.645 1.00 0.00 C ATOM 307 C ASP A 22 -14.076 7.943 -7.511 1.00 0.00 C ATOM 308 O ASP A 22 -14.664 8.759 -6.802 1.00 0.00 O ATOM 309 CB ASP A 22 -15.194 6.300 -9.032 1.00 0.00 C ATOM 310 CG ASP A 22 -16.589 6.882 -9.146 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.827 7.969 -8.580 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.445 6.249 -9.801 1.00 0.00 O ATOM 0 H ASP A 22 -15.749 6.979 -5.965 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.742 5.832 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.550 6.759 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.230 5.233 -9.252 1.00 0.00 H new ATOM 317 N VAL A 23 -12.976 8.241 -8.197 1.00 0.00 N ATOM 318 CA VAL A 23 -12.387 9.573 -8.155 1.00 0.00 C ATOM 319 C VAL A 23 -11.669 9.898 -9.461 1.00 0.00 C ATOM 320 O VAL A 23 -11.072 9.023 -10.087 1.00 0.00 O ATOM 321 CB VAL A 23 -11.392 9.711 -6.987 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.758 11.094 -6.986 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.085 9.432 -5.662 1.00 0.00 C ATOM 0 H VAL A 23 -12.476 7.577 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.207 10.277 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.599 8.975 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.058 11.173 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.226 11.251 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.535 11.851 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.368 9.534 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.899 10.143 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.486 8.419 -5.668 1.00 0.00 H new ATOM 333 N ASP A 24 -11.732 11.162 -9.865 1.00 0.00 N ATOM 334 CA ASP A 24 -11.086 11.604 -11.096 1.00 0.00 C ATOM 335 C ASP A 24 -10.728 13.085 -11.020 1.00 0.00 C ATOM 336 O ASP A 24 -11.596 13.950 -11.133 1.00 0.00 O ATOM 337 CB ASP A 24 -11.999 11.347 -12.296 1.00 0.00 C ATOM 338 CG ASP A 24 -13.398 11.894 -12.087 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.138 11.326 -11.258 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.752 12.890 -12.753 1.00 0.00 O ATOM 0 H ASP A 24 -12.223 11.898 -9.359 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.166 11.033 -11.221 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.563 11.803 -13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.055 10.275 -12.483 1.00 0.00 H new ATOM 345 N VAL A 25 -9.444 13.369 -10.827 1.00 0.00 N ATOM 346 CA VAL A 25 -8.971 14.745 -10.737 1.00 0.00 C ATOM 347 C VAL A 25 -7.551 14.874 -11.275 1.00 0.00 C ATOM 348 O VAL A 25 -6.823 13.887 -11.375 1.00 0.00 O ATOM 349 CB VAL A 25 -9.006 15.256 -9.284 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.393 15.074 -8.687 1.00 0.00 C ATOM 351 CG2 VAL A 25 -7.958 14.543 -8.444 1.00 0.00 C ATOM 0 H VAL A 25 -8.713 12.664 -10.730 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.643 15.351 -11.344 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.774 16.321 -9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.398 15.441 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.119 15.634 -9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.657 14.017 -8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.997 14.916 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.157 13.471 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.969 14.730 -8.861 1.00 0.00 H new ATOM 361 N GLN A 26 -7.164 16.098 -11.621 1.00 0.00 N ATOM 362 CA GLN A 26 -5.830 16.356 -12.150 1.00 0.00 C ATOM 363 C GLN A 26 -4.758 15.981 -11.131 1.00 0.00 C ATOM 364 O GLN A 26 -4.881 16.287 -9.946 1.00 0.00 O ATOM 365 CB GLN A 26 -5.688 17.829 -12.537 1.00 0.00 C ATOM 366 CG GLN A 26 -5.483 18.754 -11.348 1.00 0.00 C ATOM 367 CD GLN A 26 -6.063 20.136 -11.577 1.00 0.00 C ATOM 368 OE1 GLN A 26 -6.833 20.352 -12.513 1.00 0.00 O ATOM 369 NE2 GLN A 26 -5.696 21.081 -10.720 1.00 0.00 N ATOM 0 H GLN A 26 -7.755 16.926 -11.544 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.694 15.739 -13.038 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.845 17.937 -13.220 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.580 18.141 -13.080 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.945 18.312 -10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.417 18.842 -11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.055 20.858 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.055 22.030 -10.823 1.00 0.00 H new ATOM 378 N GLU A 27 -3.709 15.314 -11.602 1.00 0.00 N ATOM 379 CA GLU A 27 -2.617 14.896 -10.731 1.00 0.00 C ATOM 380 C GLU A 27 -2.089 16.074 -9.917 1.00 0.00 C ATOM 381 O GLU A 27 -2.107 17.216 -10.373 1.00 0.00 O ATOM 382 CB GLU A 27 -1.483 14.283 -11.556 1.00 0.00 C ATOM 383 CG GLU A 27 -0.522 15.312 -12.129 1.00 0.00 C ATOM 384 CD GLU A 27 0.756 15.429 -11.322 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.714 14.685 -11.619 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.798 16.264 -10.394 1.00 0.00 O ATOM 0 H GLU A 27 -3.592 15.052 -12.581 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.003 14.144 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.925 13.586 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.912 13.704 -12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.276 15.041 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.015 16.284 -12.165 1.00 0.00 H new ATOM 393 N GLY A 28 -1.619 15.786 -8.707 1.00 0.00 N ATOM 394 CA GLY A 28 -1.093 16.830 -7.847 1.00 0.00 C ATOM 395 C GLY A 28 -2.152 17.419 -6.936 1.00 0.00 C ATOM 396 O GLY A 28 -1.833 18.091 -5.956 1.00 0.00 O ATOM 0 H GLY A 28 -1.593 14.848 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.283 16.424 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.666 17.622 -8.462 1.00 0.00 H new ATOM 400 N SER A 29 -3.416 17.167 -7.260 1.00 0.00 N ATOM 401 CA SER A 29 -4.526 17.681 -6.466 1.00 0.00 C ATOM 402 C SER A 29 -4.808 16.772 -5.273 1.00 0.00 C ATOM 403 O SER A 29 -4.087 15.804 -5.032 1.00 0.00 O ATOM 404 CB SER A 29 -5.782 17.811 -7.330 1.00 0.00 C ATOM 405 OG SER A 29 -5.656 18.878 -8.255 1.00 0.00 O ATOM 0 H SER A 29 -3.697 16.610 -8.067 1.00 0.00 H new ATOM 0 HA SER A 29 -4.247 18.666 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.956 16.879 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.650 17.979 -6.693 1.00 0.00 H new ATOM 0 HG SER A 29 -6.543 19.128 -8.589 1.00 0.00 H new ATOM 411 N SER A 30 -5.863 17.092 -4.530 1.00 0.00 N ATOM 412 CA SER A 30 -6.239 16.307 -3.360 1.00 0.00 C ATOM 413 C SER A 30 -7.479 15.465 -3.646 1.00 0.00 C ATOM 414 O SER A 30 -8.598 15.977 -3.672 1.00 0.00 O ATOM 415 CB SER A 30 -6.498 17.227 -2.165 1.00 0.00 C ATOM 416 OG SER A 30 -6.988 18.488 -2.588 1.00 0.00 O ATOM 0 H SER A 30 -6.472 17.889 -4.717 1.00 0.00 H new ATOM 0 HA SER A 30 -5.413 15.637 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.218 16.761 -1.493 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.576 17.363 -1.600 1.00 0.00 H new ATOM 0 HG SER A 30 -7.147 19.056 -1.806 1.00 0.00 H new ATOM 422 N ALA A 31 -7.270 14.171 -3.860 1.00 0.00 N ATOM 423 CA ALA A 31 -8.370 13.256 -4.142 1.00 0.00 C ATOM 424 C ALA A 31 -8.965 12.699 -2.854 1.00 0.00 C ATOM 425 O ALA A 31 -8.247 12.180 -1.999 1.00 0.00 O ATOM 426 CB ALA A 31 -7.896 12.123 -5.040 1.00 0.00 C ATOM 0 H ALA A 31 -6.350 13.732 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.150 13.814 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.727 11.447 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.525 12.534 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.096 11.575 -4.543 1.00 0.00 H new ATOM 432 N THR A 32 -10.283 12.811 -2.719 1.00 0.00 N ATOM 433 CA THR A 32 -10.975 12.320 -1.534 1.00 0.00 C ATOM 434 C THR A 32 -11.633 10.971 -1.801 1.00 0.00 C ATOM 435 O THR A 32 -12.270 10.774 -2.835 1.00 0.00 O ATOM 436 CB THR A 32 -12.048 13.317 -1.057 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.440 14.570 -0.724 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.793 12.772 0.152 1.00 0.00 C ATOM 0 H THR A 32 -10.893 13.238 -3.416 1.00 0.00 H new ATOM 0 HA THR A 32 -10.223 12.206 -0.753 1.00 0.00 H new ATOM 0 HB THR A 32 -12.761 13.464 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.129 15.198 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.546 13.493 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.279 11.833 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.089 12.599 0.966 1.00 0.00 H new ATOM 446 N PHE A 33 -11.475 10.045 -0.861 1.00 0.00 N ATOM 447 CA PHE A 33 -12.054 8.713 -0.994 1.00 0.00 C ATOM 448 C PHE A 33 -12.874 8.350 0.240 1.00 0.00 C ATOM 449 O PHE A 33 -12.333 7.886 1.244 1.00 0.00 O ATOM 450 CB PHE A 33 -10.952 7.674 -1.212 1.00 0.00 C ATOM 451 CG PHE A 33 -10.495 7.575 -2.639 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.152 6.748 -3.535 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.408 8.310 -3.085 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.733 6.654 -4.849 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.984 8.221 -4.398 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.648 7.393 -5.281 1.00 0.00 C ATOM 0 H PHE A 33 -10.951 10.192 0.001 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.716 8.717 -1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.098 7.924 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.314 6.699 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.002 6.170 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.886 8.960 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.253 6.004 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.135 8.798 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.320 7.323 -6.308 1.00 0.00 H new ATOM 466 N ARG A 34 -14.183 8.566 0.158 1.00 0.00 N ATOM 467 CA ARG A 34 -15.078 8.264 1.268 1.00 0.00 C ATOM 468 C ARG A 34 -15.520 6.804 1.228 1.00 0.00 C ATOM 469 O ARG A 34 -15.761 6.248 0.156 1.00 0.00 O ATOM 470 CB ARG A 34 -16.302 9.181 1.228 1.00 0.00 C ATOM 471 CG ARG A 34 -16.274 10.281 2.276 1.00 0.00 C ATOM 472 CD ARG A 34 -17.418 11.264 2.082 1.00 0.00 C ATOM 473 NE ARG A 34 -18.721 10.635 2.283 1.00 0.00 N ATOM 474 CZ ARG A 34 -19.429 10.083 1.304 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.962 10.082 0.063 1.00 0.00 N ATOM 476 NH2 ARG A 34 -20.606 9.530 1.566 1.00 0.00 N ATOM 0 H ARG A 34 -14.647 8.949 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.535 8.435 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.373 9.635 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.200 8.580 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.337 9.839 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.324 10.812 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.305 12.094 2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.369 11.683 1.077 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.108 10.619 3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.057 10.506 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.508 9.657 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.968 9.529 2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.149 9.106 0.814 1.00 0.00 H new ATOM 490 N CYS A 35 -15.625 6.191 2.402 1.00 0.00 N ATOM 491 CA CYS A 35 -16.037 4.795 2.501 1.00 0.00 C ATOM 492 C CYS A 35 -16.542 4.476 3.904 1.00 0.00 C ATOM 493 O CYS A 35 -16.005 4.971 4.895 1.00 0.00 O ATOM 494 CB CYS A 35 -14.872 3.871 2.142 1.00 0.00 C ATOM 495 SG CYS A 35 -13.327 4.266 2.995 1.00 0.00 S ATOM 0 H CYS A 35 -15.431 6.638 3.298 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.851 4.631 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.151 2.844 2.376 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.703 3.918 1.066 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.317 5.526 3.314 1.00 0.00 H new ATOM 501 N ARG A 36 -17.577 3.646 3.980 1.00 0.00 N ATOM 502 CA ARG A 36 -18.157 3.263 5.262 1.00 0.00 C ATOM 503 C ARG A 36 -17.863 1.799 5.575 1.00 0.00 C ATOM 504 O ARG A 36 -18.297 0.901 4.853 1.00 0.00 O ATOM 505 CB ARG A 36 -19.668 3.501 5.254 1.00 0.00 C ATOM 506 CG ARG A 36 -20.254 3.741 6.636 1.00 0.00 C ATOM 507 CD ARG A 36 -21.769 3.860 6.585 1.00 0.00 C ATOM 508 NE ARG A 36 -22.342 4.120 7.903 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.599 4.505 8.096 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.409 4.674 7.060 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.047 4.721 9.326 1.00 0.00 N ATOM 0 H ARG A 36 -18.031 3.226 3.169 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.704 3.881 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.889 4.360 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.161 2.639 4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.974 2.922 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.830 4.652 7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.047 4.664 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.192 2.940 6.181 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.744 3.999 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.067 4.508 6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.374 4.970 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.426 4.592 10.125 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.012 5.017 9.473 1.00 0.00 H new ATOM 525 N ILE A 37 -17.125 1.567 6.655 1.00 0.00 N ATOM 526 CA ILE A 37 -16.774 0.212 7.063 1.00 0.00 C ATOM 527 C ILE A 37 -16.979 0.020 8.562 1.00 0.00 C ATOM 528 O ILE A 37 -16.572 0.857 9.367 1.00 0.00 O ATOM 529 CB ILE A 37 -15.313 -0.122 6.709 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.356 0.749 7.524 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.072 0.067 5.219 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.810 0.060 8.755 1.00 0.00 C ATOM 0 H ILE A 37 -16.759 2.299 7.263 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.434 -0.463 6.518 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.124 -1.166 6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.524 1.053 6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.874 1.659 7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.035 -0.173 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.733 -0.593 4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.275 1.102 4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.139 0.737 9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.634 -0.220 9.411 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.263 -0.835 8.459 1.00 0.00 H new ATOM 544 N SER A 38 -17.612 -1.090 8.929 1.00 0.00 N ATOM 545 CA SER A 38 -17.873 -1.393 10.332 1.00 0.00 C ATOM 546 C SER A 38 -16.772 -2.276 10.911 1.00 0.00 C ATOM 547 O SER A 38 -16.098 -3.019 10.198 1.00 0.00 O ATOM 548 CB SER A 38 -19.229 -2.084 10.482 1.00 0.00 C ATOM 549 OG SER A 38 -19.187 -3.074 11.495 1.00 0.00 O ATOM 0 H SER A 38 -17.953 -1.794 8.275 1.00 0.00 H new ATOM 0 HA SER A 38 -17.889 -0.454 10.885 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.993 -1.345 10.723 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.515 -2.541 9.534 1.00 0.00 H new ATOM 0 HG SER A 38 -19.839 -2.855 12.194 1.00 0.00 H new ATOM 555 N PRO A 39 -16.584 -2.193 12.237 1.00 0.00 N ATOM 556 CA PRO A 39 -17.380 -1.310 13.095 1.00 0.00 C ATOM 557 C PRO A 39 -17.068 0.163 12.860 1.00 0.00 C ATOM 558 O PRO A 39 -15.965 0.515 12.442 1.00 0.00 O ATOM 559 CB PRO A 39 -16.968 -1.725 14.510 1.00 0.00 C ATOM 560 CG PRO A 39 -15.602 -2.299 14.353 1.00 0.00 C ATOM 561 CD PRO A 39 -15.580 -2.953 12.999 1.00 0.00 C ATOM 0 HA PRO A 39 -18.448 -1.408 12.901 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.963 -0.871 15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.660 -2.458 14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.842 -1.521 14.423 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.390 -3.023 15.140 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.594 -2.890 12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.837 -4.011 13.059 1.00 0.00 H new ATOM 569 N ALA A 40 -18.046 1.021 13.132 1.00 0.00 N ATOM 570 CA ALA A 40 -17.874 2.458 12.952 1.00 0.00 C ATOM 571 C ALA A 40 -16.656 2.965 13.716 1.00 0.00 C ATOM 572 O ALA A 40 -16.081 3.997 13.373 1.00 0.00 O ATOM 573 CB ALA A 40 -19.125 3.199 13.398 1.00 0.00 C ATOM 0 H ALA A 40 -18.965 0.746 13.478 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.710 2.649 11.891 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.983 4.271 13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.976 2.866 12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.314 2.993 14.451 1.00 0.00 H new ATOM 579 N ASN A 41 -16.267 2.232 14.754 1.00 0.00 N ATOM 580 CA ASN A 41 -15.117 2.608 15.568 1.00 0.00 C ATOM 581 C ASN A 41 -13.938 1.675 15.310 1.00 0.00 C ATOM 582 O ASN A 41 -13.233 1.276 16.238 1.00 0.00 O ATOM 583 CB ASN A 41 -15.486 2.583 17.053 1.00 0.00 C ATOM 584 CG ASN A 41 -16.165 1.289 17.458 1.00 0.00 C ATOM 585 OD1 ASN A 41 -15.662 0.199 17.185 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.315 1.404 18.112 1.00 0.00 N ATOM 0 H ASN A 41 -16.731 1.374 15.051 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.823 3.620 15.290 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -14.585 2.720 17.651 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.146 3.421 17.275 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.818 0.568 18.409 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.695 2.328 18.317 1.00 0.00 H new ATOM 593 N TYR A 42 -13.730 1.330 14.044 1.00 0.00 N ATOM 594 CA TYR A 42 -12.638 0.442 13.663 1.00 0.00 C ATOM 595 C TYR A 42 -11.373 1.236 13.354 1.00 0.00 C ATOM 596 O TYR A 42 -11.424 2.270 12.688 1.00 0.00 O ATOM 597 CB TYR A 42 -13.037 -0.398 12.449 1.00 0.00 C ATOM 598 CG TYR A 42 -11.939 -1.319 11.963 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.938 -0.852 11.120 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.905 -2.654 12.346 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.933 -1.689 10.673 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.904 -3.497 11.905 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.921 -3.011 11.069 1.00 0.00 C ATOM 604 OH TYR A 42 -8.923 -3.848 10.626 1.00 0.00 O ATOM 0 H TYR A 42 -14.303 1.652 13.264 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.432 -0.221 14.503 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.914 -0.994 12.702 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.328 0.268 11.636 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.945 0.182 10.809 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.674 -3.039 12.999 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.162 -1.311 10.018 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.891 -4.532 12.213 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.059 -4.745 10.997 1.00 0.00 H new ATOM 614 N GLU A 43 -10.239 0.743 13.842 1.00 0.00 N ATOM 615 CA GLU A 43 -8.960 1.407 13.617 1.00 0.00 C ATOM 616 C GLU A 43 -7.830 0.664 14.326 1.00 0.00 C ATOM 617 O GLU A 43 -8.050 -0.101 15.265 1.00 0.00 O ATOM 618 CB GLU A 43 -9.018 2.855 14.107 1.00 0.00 C ATOM 619 CG GLU A 43 -9.873 3.044 15.349 1.00 0.00 C ATOM 620 CD GLU A 43 -9.498 4.288 16.131 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.770 5.139 15.580 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.934 4.409 17.295 1.00 0.00 O ATOM 0 H GLU A 43 -10.180 -0.112 14.395 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.761 1.402 12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.005 3.199 14.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.409 3.485 13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.922 3.105 15.058 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.771 2.170 15.992 1.00 0.00 H new ATOM 629 N PRO A 44 -6.592 0.894 13.865 1.00 0.00 N ATOM 630 CA PRO A 44 -6.318 1.803 12.748 1.00 0.00 C ATOM 631 C PRO A 44 -6.816 1.250 11.417 1.00 0.00 C ATOM 632 O PRO A 44 -7.329 0.133 11.350 1.00 0.00 O ATOM 633 CB PRO A 44 -4.792 1.911 12.744 1.00 0.00 C ATOM 634 CG PRO A 44 -4.320 0.649 13.379 1.00 0.00 C ATOM 635 CD PRO A 44 -5.362 0.285 14.400 1.00 0.00 C ATOM 0 HA PRO A 44 -6.826 2.760 12.867 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.405 2.012 11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.456 2.785 13.302 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.207 -0.142 12.638 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.346 0.789 13.848 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.461 -0.795 14.505 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.114 0.680 15.385 1.00 0.00 H new ATOM 643 N VAL A 45 -6.661 2.039 10.358 1.00 0.00 N ATOM 644 CA VAL A 45 -7.093 1.628 9.028 1.00 0.00 C ATOM 645 C VAL A 45 -5.937 1.676 8.035 1.00 0.00 C ATOM 646 O VAL A 45 -5.051 2.524 8.138 1.00 0.00 O ATOM 647 CB VAL A 45 -8.238 2.519 8.509 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.514 2.260 9.296 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.845 3.986 8.583 1.00 0.00 C ATOM 0 H VAL A 45 -6.239 2.967 10.396 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.451 0.602 9.115 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.426 2.269 7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.312 2.898 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.803 1.214 9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.343 2.482 10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.665 4.601 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.629 4.253 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.959 4.157 7.972 1.00 0.00 H new ATOM 659 N HIS A 46 -5.952 0.759 7.073 1.00 0.00 N ATOM 660 CA HIS A 46 -4.905 0.697 6.059 1.00 0.00 C ATOM 661 C HIS A 46 -5.433 1.159 4.704 1.00 0.00 C ATOM 662 O HIS A 46 -6.613 0.990 4.396 1.00 0.00 O ATOM 663 CB HIS A 46 -4.358 -0.726 5.948 1.00 0.00 C ATOM 664 CG HIS A 46 -3.804 -1.257 7.234 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.042 -0.497 8.096 1.00 0.00 N ATOM 666 CD2 HIS A 46 -3.907 -2.481 7.805 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.699 -1.230 9.140 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.211 -2.438 8.988 1.00 0.00 N ATOM 0 H HIS A 46 -6.677 0.049 6.974 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.099 1.366 6.362 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.154 -1.387 5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.576 -0.748 5.189 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.438 -3.332 7.404 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.101 -0.898 9.976 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.106 -3.213 9.643 1.00 0.00 H new ATOM 676 N TRP A 47 -4.552 1.742 3.900 1.00 0.00 N ATOM 677 CA TRP A 47 -4.929 2.230 2.578 1.00 0.00 C ATOM 678 C TRP A 47 -3.834 1.940 1.558 1.00 0.00 C ATOM 679 O TRP A 47 -2.679 2.321 1.748 1.00 0.00 O ATOM 680 CB TRP A 47 -5.213 3.732 2.627 1.00 0.00 C ATOM 681 CG TRP A 47 -6.500 4.070 3.316 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.765 3.975 4.653 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.699 4.557 2.702 1.00 0.00 C ATOM 684 NE1 TRP A 47 -8.055 4.373 4.906 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.649 4.735 3.726 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.061 4.861 1.387 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.936 5.203 3.474 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.339 5.324 1.138 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.264 5.493 2.177 1.00 0.00 C ATOM 0 H TRP A 47 -3.571 1.889 4.140 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.834 1.707 2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.392 4.233 3.140 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.240 4.123 1.610 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.063 3.637 5.401 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.499 4.395 5.824 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.355 4.736 0.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.650 5.333 4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.630 5.560 0.125 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.254 5.859 1.950 1.00 0.00 H new ATOM 700 N PHE A 48 -4.203 1.264 0.475 1.00 0.00 N ATOM 701 CA PHE A 48 -3.251 0.923 -0.575 1.00 0.00 C ATOM 702 C PHE A 48 -3.719 1.452 -1.927 1.00 0.00 C ATOM 703 O PHE A 48 -4.890 1.793 -2.102 1.00 0.00 O ATOM 704 CB PHE A 48 -3.060 -0.594 -0.647 1.00 0.00 C ATOM 705 CG PHE A 48 -2.554 -1.196 0.633 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.419 -1.441 1.687 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.214 -1.515 0.782 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.957 -1.995 2.866 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.746 -2.070 1.958 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.618 -2.309 3.002 1.00 0.00 C ATOM 0 H PHE A 48 -5.155 0.941 0.302 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.297 1.392 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.010 -1.060 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.360 -0.826 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.466 -1.196 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.527 -1.328 -0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.642 -2.182 3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.300 -2.317 2.060 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.254 -2.740 3.923 1.00 0.00 H new ATOM 720 N LEU A 49 -2.797 1.519 -2.881 1.00 0.00 N ATOM 721 CA LEU A 49 -3.115 2.007 -4.219 1.00 0.00 C ATOM 722 C LEU A 49 -2.390 1.189 -5.283 1.00 0.00 C ATOM 723 O LEU A 49 -1.188 1.349 -5.492 1.00 0.00 O ATOM 724 CB LEU A 49 -2.735 3.483 -4.348 1.00 0.00 C ATOM 725 CG LEU A 49 -3.004 4.130 -5.707 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.808 3.952 -6.629 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.258 3.541 -6.338 1.00 0.00 C ATOM 0 H LEU A 49 -1.824 1.242 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.189 1.899 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.277 4.045 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.673 3.585 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.164 5.197 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.018 4.419 -7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.931 4.420 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.617 2.889 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.435 4.013 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.126 2.468 -6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.112 3.720 -5.685 1.00 0.00 H new ATOM 739 N ASP A 50 -3.131 0.314 -5.955 1.00 0.00 N ATOM 740 CA ASP A 50 -2.560 -0.527 -7.001 1.00 0.00 C ATOM 741 C ASP A 50 -1.584 -1.540 -6.411 1.00 0.00 C ATOM 742 O ASP A 50 -1.916 -2.714 -6.245 1.00 0.00 O ATOM 743 CB ASP A 50 -1.851 0.334 -8.047 1.00 0.00 C ATOM 744 CG ASP A 50 -2.599 0.378 -9.365 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.846 0.315 -9.341 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.938 0.475 -10.420 1.00 0.00 O ATOM 0 H ASP A 50 -4.128 0.169 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.374 -1.071 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.738 1.348 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.847 -0.057 -8.215 1.00 0.00 H new ATOM 751 N LYS A 51 -0.378 -1.079 -6.097 1.00 0.00 N ATOM 752 CA LYS A 51 0.647 -1.944 -5.525 1.00 0.00 C ATOM 753 C LYS A 51 1.607 -1.144 -4.650 1.00 0.00 C ATOM 754 O LYS A 51 2.820 -1.356 -4.687 1.00 0.00 O ATOM 755 CB LYS A 51 1.423 -2.653 -6.637 1.00 0.00 C ATOM 756 CG LYS A 51 0.548 -3.495 -7.549 1.00 0.00 C ATOM 757 CD LYS A 51 1.361 -4.156 -8.649 1.00 0.00 C ATOM 758 CE LYS A 51 0.765 -5.495 -9.055 1.00 0.00 C ATOM 759 NZ LYS A 51 -0.318 -5.337 -10.065 1.00 0.00 N ATOM 0 H LYS A 51 -0.086 -0.111 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 51 0.153 -2.690 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.945 -1.907 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.184 -3.291 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.039 -4.260 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.225 -2.868 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.404 -3.498 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.386 -4.301 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.550 -6.134 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.369 -5.998 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.698 -6.272 -10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.079 -4.749 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.066 -4.880 -10.917 1.00 0.00 H new ATOM 773 N THR A 52 1.058 -0.226 -3.862 1.00 0.00 N ATOM 774 CA THR A 52 1.865 0.605 -2.978 1.00 0.00 C ATOM 775 C THR A 52 1.064 1.051 -1.760 1.00 0.00 C ATOM 776 O THR A 52 -0.056 1.550 -1.872 1.00 0.00 O ATOM 777 CB THR A 52 2.401 1.850 -3.710 1.00 0.00 C ATOM 778 OG1 THR A 52 3.054 1.461 -4.924 1.00 0.00 O ATOM 779 CG2 THR A 52 3.373 2.619 -2.830 1.00 0.00 C ATOM 0 H THR A 52 0.056 -0.039 -3.818 1.00 0.00 H new ATOM 0 HA THR A 52 2.707 -0.006 -2.652 1.00 0.00 H new ATOM 0 HB THR A 52 1.556 2.498 -3.943 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.391 2.258 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.738 3.494 -3.369 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.865 2.939 -1.920 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.214 1.977 -2.569 1.00 0.00 H new ATOM 787 N PRO A 53 1.650 0.870 -0.567 1.00 0.00 N ATOM 788 CA PRO A 53 1.008 1.250 0.695 1.00 0.00 C ATOM 789 C PRO A 53 0.909 2.762 0.864 1.00 0.00 C ATOM 790 O PRO A 53 1.728 3.511 0.330 1.00 0.00 O ATOM 791 CB PRO A 53 1.935 0.653 1.757 1.00 0.00 C ATOM 792 CG PRO A 53 3.265 0.562 1.092 1.00 0.00 C ATOM 793 CD PRO A 53 2.984 0.282 -0.359 1.00 0.00 C ATOM 0 HA PRO A 53 -0.019 0.890 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.979 1.284 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.586 -0.328 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.824 1.490 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.868 -0.232 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.731 0.739 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.989 -0.787 -0.570 1.00 0.00 H new ATOM 801 N LEU A 54 -0.098 3.204 1.609 1.00 0.00 N ATOM 802 CA LEU A 54 -0.304 4.629 1.848 1.00 0.00 C ATOM 803 C LEU A 54 -0.478 4.911 3.337 1.00 0.00 C ATOM 804 O LEU A 54 -1.242 4.231 4.023 1.00 0.00 O ATOM 805 CB LEU A 54 -1.528 5.124 1.077 1.00 0.00 C ATOM 806 CG LEU A 54 -1.475 4.962 -0.443 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.864 4.692 -1.000 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.870 6.199 -1.090 1.00 0.00 C ATOM 0 H LEU A 54 -0.784 2.597 2.058 1.00 0.00 H new ATOM 0 HA LEU A 54 0.579 5.163 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.405 4.594 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.673 6.180 1.305 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.840 4.107 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.806 4.580 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.261 3.777 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.522 5.526 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.840 6.066 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.478 7.071 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.142 6.348 -0.715 1.00 0.00 H new ATOM 820 N HIS A 55 0.233 5.919 3.831 1.00 0.00 N ATOM 821 CA HIS A 55 0.155 6.294 5.238 1.00 0.00 C ATOM 822 C HIS A 55 0.046 7.808 5.392 1.00 0.00 C ATOM 823 O HIS A 55 0.606 8.564 4.600 1.00 0.00 O ATOM 824 CB HIS A 55 1.381 5.779 5.993 1.00 0.00 C ATOM 825 CG HIS A 55 1.700 4.344 5.710 1.00 0.00 C ATOM 826 ND1 HIS A 55 0.886 3.301 6.097 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.752 3.781 5.071 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.424 2.158 5.710 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.557 2.422 5.084 1.00 0.00 N ATOM 0 H HIS A 55 0.870 6.491 3.277 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.741 5.839 5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.243 6.393 5.731 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.216 5.902 7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.589 4.304 4.632 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.008 1.175 5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.185 1.729 4.677 1.00 0.00 H new ATOM 837 N ALA A 56 -0.680 8.242 6.417 1.00 0.00 N ATOM 838 CA ALA A 56 -0.861 9.665 6.676 1.00 0.00 C ATOM 839 C ALA A 56 0.482 10.378 6.792 1.00 0.00 C ATOM 840 O ALA A 56 1.383 9.914 7.490 1.00 0.00 O ATOM 841 CB ALA A 56 -1.682 9.872 7.941 1.00 0.00 C ATOM 0 H ALA A 56 -1.152 7.629 7.081 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.400 10.096 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.809 10.939 8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.660 9.406 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.166 9.420 8.788 1.00 0.00 H new ATOM 847 N ASN A 57 0.609 11.507 6.104 1.00 0.00 N ATOM 848 CA ASN A 57 1.843 12.283 6.129 1.00 0.00 C ATOM 849 C ASN A 57 1.578 13.740 5.759 1.00 0.00 C ATOM 850 O ASN A 57 0.428 14.167 5.666 1.00 0.00 O ATOM 851 CB ASN A 57 2.869 11.680 5.167 1.00 0.00 C ATOM 852 CG ASN A 57 4.258 11.608 5.773 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.411 11.448 6.984 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.277 11.728 4.931 1.00 0.00 N ATOM 0 H ASN A 57 -0.128 11.905 5.522 1.00 0.00 H new ATOM 0 HA ASN A 57 2.242 12.251 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.549 10.679 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.904 12.277 4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.235 11.689 5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.103 11.859 3.935 1.00 0.00 H new ATOM 861 N GLU A 58 2.651 14.496 5.549 1.00 0.00 N ATOM 862 CA GLU A 58 2.534 15.904 5.190 1.00 0.00 C ATOM 863 C GLU A 58 1.599 16.085 3.997 1.00 0.00 C ATOM 864 O GLU A 58 0.936 17.115 3.865 1.00 0.00 O ATOM 865 CB GLU A 58 3.911 16.488 4.866 1.00 0.00 C ATOM 866 CG GLU A 58 3.858 17.902 4.313 1.00 0.00 C ATOM 867 CD GLU A 58 4.816 18.841 5.020 1.00 0.00 C ATOM 868 OE1 GLU A 58 6.035 18.570 5.000 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.346 19.846 5.594 1.00 0.00 O ATOM 0 H GLU A 58 3.610 14.157 5.621 1.00 0.00 H new ATOM 0 HA GLU A 58 2.114 16.436 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.520 16.483 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.409 15.842 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.094 17.881 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.843 18.287 4.406 1.00 0.00 H new ATOM 876 N LEU A 59 1.552 15.079 3.132 1.00 0.00 N ATOM 877 CA LEU A 59 0.700 15.126 1.949 1.00 0.00 C ATOM 878 C LEU A 59 -0.510 14.211 2.114 1.00 0.00 C ATOM 879 O LEU A 59 -1.635 14.591 1.792 1.00 0.00 O ATOM 880 CB LEU A 59 1.495 14.720 0.707 1.00 0.00 C ATOM 881 CG LEU A 59 2.841 15.419 0.514 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.625 14.764 -0.613 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.637 16.901 0.233 1.00 0.00 C ATOM 0 H LEU A 59 2.094 14.220 3.227 1.00 0.00 H new ATOM 0 HA LEU A 59 0.345 16.149 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.669 13.645 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.880 14.911 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 59 3.416 15.320 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.580 15.274 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.802 13.716 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.055 14.832 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.606 17.382 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.043 17.021 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.116 17.362 1.072 1.00 0.00 H new ATOM 895 N ASN A 60 -0.270 13.006 2.618 1.00 0.00 N ATOM 896 CA ASN A 60 -1.341 12.037 2.827 1.00 0.00 C ATOM 897 C ASN A 60 -2.215 12.440 4.011 1.00 0.00 C ATOM 898 O ASN A 60 -1.710 12.833 5.062 1.00 0.00 O ATOM 899 CB ASN A 60 -0.757 10.643 3.061 1.00 0.00 C ATOM 900 CG ASN A 60 0.450 10.367 2.186 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.538 10.892 2.425 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.263 9.539 1.165 1.00 0.00 N ATOM 0 H ASN A 60 0.656 12.676 2.890 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.961 12.018 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.473 10.542 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.524 9.893 2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.038 9.315 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.656 9.127 1.004 1.00 0.00 H new ATOM 909 N GLU A 61 -3.528 12.339 3.831 1.00 0.00 N ATOM 910 CA GLU A 61 -4.472 12.693 4.885 1.00 0.00 C ATOM 911 C GLU A 61 -5.527 11.604 5.059 1.00 0.00 C ATOM 912 O GLU A 61 -6.156 11.174 4.091 1.00 0.00 O ATOM 913 CB GLU A 61 -5.149 14.028 4.566 1.00 0.00 C ATOM 914 CG GLU A 61 -5.359 14.910 5.785 1.00 0.00 C ATOM 915 CD GLU A 61 -6.693 14.663 6.462 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.726 14.673 5.761 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.703 14.457 7.694 1.00 0.00 O ATOM 0 H GLU A 61 -3.962 12.015 2.967 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.917 12.789 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.544 14.568 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.114 13.834 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.555 14.733 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.296 15.956 5.487 1.00 0.00 H new ATOM 924 N ILE A 62 -5.713 11.162 6.298 1.00 0.00 N ATOM 925 CA ILE A 62 -6.691 10.124 6.599 1.00 0.00 C ATOM 926 C ILE A 62 -7.561 10.517 7.789 1.00 0.00 C ATOM 927 O ILE A 62 -7.183 10.310 8.942 1.00 0.00 O ATOM 928 CB ILE A 62 -6.008 8.777 6.899 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.193 8.313 5.690 1.00 0.00 C ATOM 930 CG2 ILE A 62 -7.045 7.730 7.279 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.837 7.751 6.055 1.00 0.00 C ATOM 0 H ILE A 62 -5.200 11.506 7.109 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.318 10.015 5.714 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.329 8.910 7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.759 7.553 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.058 9.153 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.547 6.783 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.586 8.059 8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.746 7.597 6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.315 7.442 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.253 8.515 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.965 6.890 6.711 1.00 0.00 H new ATOM 943 N ASP A 63 -8.728 11.082 7.500 1.00 0.00 N ATOM 944 CA ASP A 63 -9.654 11.501 8.546 1.00 0.00 C ATOM 945 C ASP A 63 -10.500 10.326 9.026 1.00 0.00 C ATOM 946 O ASP A 63 -10.324 9.196 8.572 1.00 0.00 O ATOM 947 CB ASP A 63 -10.559 12.623 8.036 1.00 0.00 C ATOM 948 CG ASP A 63 -10.804 13.691 9.083 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.880 13.967 9.876 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.920 14.251 9.110 1.00 0.00 O ATOM 0 H ASP A 63 -9.055 11.260 6.551 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.069 11.871 9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.106 13.079 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.514 12.201 7.721 1.00 0.00 H new ATOM 955 N ALA A 64 -11.417 10.601 9.948 1.00 0.00 N ATOM 956 CA ALA A 64 -12.291 9.567 10.488 1.00 0.00 C ATOM 957 C ALA A 64 -13.672 10.127 10.807 1.00 0.00 C ATOM 958 O ALA A 64 -14.070 10.197 11.970 1.00 0.00 O ATOM 959 CB ALA A 64 -11.670 8.949 11.732 1.00 0.00 C ATOM 0 H ALA A 64 -11.574 11.531 10.336 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.408 8.793 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.333 8.178 12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.708 8.504 11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.523 9.721 12.487 1.00 0.00 H new ATOM 965 N GLN A 65 -14.399 10.526 9.768 1.00 0.00 N ATOM 966 CA GLN A 65 -15.736 11.082 9.939 1.00 0.00 C ATOM 967 C GLN A 65 -16.604 10.159 10.787 1.00 0.00 C ATOM 968 O GLN A 65 -16.320 8.971 10.946 1.00 0.00 O ATOM 969 CB GLN A 65 -16.394 11.312 8.577 1.00 0.00 C ATOM 970 CG GLN A 65 -16.091 12.676 7.978 1.00 0.00 C ATOM 971 CD GLN A 65 -16.619 12.822 6.565 1.00 0.00 C ATOM 972 OE1 GLN A 65 -15.896 13.568 5.737 1.00 0.00 O flip ATOM 973 NE2 GLN A 65 -17.665 12.271 6.220 1.00 0.00 N flip ATOM 0 H GLN A 65 -14.084 10.474 8.799 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.642 12.038 10.455 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.059 10.538 7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.473 11.202 8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.529 13.451 8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.013 12.837 7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -18.189 11.707 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -18.007 12.379 5.265 1.00 0.00 H new ATOM 982 N PRO A 66 -17.690 10.715 11.346 1.00 0.00 N ATOM 983 CA PRO A 66 -18.622 9.959 12.187 1.00 0.00 C ATOM 984 C PRO A 66 -19.433 8.945 11.388 1.00 0.00 C ATOM 985 O PRO A 66 -19.871 9.226 10.273 1.00 0.00 O ATOM 986 CB PRO A 66 -19.538 11.042 12.763 1.00 0.00 C ATOM 987 CG PRO A 66 -19.480 12.153 11.772 1.00 0.00 C ATOM 988 CD PRO A 66 -18.090 12.124 11.199 1.00 0.00 C ATOM 0 HA PRO A 66 -18.103 9.373 12.945 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.557 10.674 12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.196 11.369 13.745 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.227 12.018 10.990 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.686 13.112 12.248 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.079 12.438 10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.418 12.791 11.740 1.00 0.00 H new ATOM 996 N GLY A 67 -19.629 7.763 11.965 1.00 0.00 N ATOM 997 CA GLY A 67 -20.387 6.725 11.292 1.00 0.00 C ATOM 998 C GLY A 67 -19.497 5.730 10.575 1.00 0.00 C ATOM 999 O GLY A 67 -19.953 5.000 9.695 1.00 0.00 O ATOM 0 H GLY A 67 -19.276 7.506 12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.002 6.198 12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.067 7.183 10.574 1.00 0.00 H new ATOM 1003 N GLY A 68 -18.222 5.700 10.950 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.286 4.785 10.325 1.00 0.00 C ATOM 1005 C GLY A 68 -16.897 5.218 8.925 1.00 0.00 C ATOM 1006 O GLY A 68 -16.682 4.383 8.046 1.00 0.00 O ATOM 0 H GLY A 68 -17.821 6.294 11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.390 4.710 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.728 3.790 10.284 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.809 6.527 8.716 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.448 7.070 7.412 1.00 0.00 C ATOM 1012 C TYR A 69 -14.971 7.449 7.369 1.00 0.00 C ATOM 1013 O TYR A 69 -14.548 8.418 8.001 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.309 8.292 7.089 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.631 7.947 6.440 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.696 7.473 7.195 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.813 8.095 5.070 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.905 7.157 6.606 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.019 7.782 4.473 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.061 7.313 5.245 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.263 6.999 4.653 1.00 0.00 O ATOM 0 H TYR A 69 -16.983 7.232 9.433 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.628 6.299 6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.499 8.846 8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.751 8.955 6.427 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.577 7.349 8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.998 8.461 4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.723 6.790 7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.145 7.904 3.407 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.122 6.824 3.699 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.190 6.678 6.619 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.760 6.932 6.492 1.00 0.00 C ATOM 1033 C HIS A 70 -12.460 7.724 5.222 1.00 0.00 C ATOM 1034 O HIS A 70 -12.536 7.192 4.114 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.985 5.614 6.480 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.079 4.853 7.767 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.686 5.376 8.981 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.527 3.602 8.025 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.886 4.478 9.929 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.396 3.393 9.376 1.00 0.00 N ATOM 0 H HIS A 70 -14.524 5.872 6.090 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.443 7.523 7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.360 4.989 5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.937 5.820 6.265 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.301 6.310 9.124 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.915 2.899 7.303 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.669 4.609 10.979 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.118 8.997 5.391 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.806 9.861 4.259 1.00 0.00 C ATOM 1050 C VAL A 71 -10.304 9.914 4.005 1.00 0.00 C ATOM 1051 O VAL A 71 -9.513 10.109 4.930 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.328 11.293 4.485 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.161 12.128 3.225 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.783 11.265 4.928 1.00 0.00 C ATOM 0 H VAL A 71 -12.050 9.453 6.301 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.304 9.434 3.389 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.739 11.755 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.535 13.136 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.106 12.175 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.722 11.672 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.136 12.285 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.388 10.785 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.869 10.706 5.860 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.915 9.739 2.747 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.506 9.767 2.370 1.00 0.00 C ATOM 1066 C LEU A 72 -8.231 10.889 1.374 1.00 0.00 C ATOM 1067 O LEU A 72 -8.648 10.824 0.217 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.092 8.423 1.769 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.651 8.328 1.266 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.733 7.825 2.369 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.570 7.421 0.047 1.00 0.00 C ATOM 0 H LEU A 72 -10.556 9.576 1.970 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.918 9.952 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.245 7.649 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.761 8.197 0.939 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.322 9.325 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.712 7.764 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.768 8.513 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.060 6.837 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.537 7.365 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.918 6.423 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.196 7.824 -0.749 1.00 0.00 H new ATOM 1083 N THR A 73 -7.524 11.918 1.831 1.00 0.00 N ATOM 1084 CA THR A 73 -7.192 13.054 0.980 1.00 0.00 C ATOM 1085 C THR A 73 -5.746 12.979 0.503 1.00 0.00 C ATOM 1086 O THR A 73 -4.841 13.518 1.142 1.00 0.00 O ATOM 1087 CB THR A 73 -7.409 14.390 1.716 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.534 14.287 2.596 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.634 15.523 0.727 1.00 0.00 C ATOM 0 H THR A 73 -7.170 11.988 2.785 1.00 0.00 H new ATOM 0 HA THR A 73 -7.859 13.010 0.119 1.00 0.00 H new ATOM 0 HB THR A 73 -6.513 14.609 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.235 14.392 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.785 16.456 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.763 15.618 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.515 15.309 0.123 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.534 12.309 -0.625 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.197 12.165 -1.189 1.00 0.00 C ATOM 1099 C LEU A 74 -3.760 13.447 -1.890 1.00 0.00 C ATOM 1100 O LEU A 74 -4.042 13.649 -3.071 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.162 10.995 -2.174 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.897 9.616 -1.569 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.242 8.520 -2.566 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.446 9.498 -1.125 1.00 0.00 C ATOM 0 H LEU A 74 -6.271 11.857 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.504 11.966 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.115 10.961 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.393 11.197 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.535 9.496 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.047 7.546 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.296 8.591 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.631 8.637 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.276 8.510 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.790 9.639 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.232 10.260 -0.376 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.067 14.310 -1.154 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.590 15.573 -1.705 1.00 0.00 C ATOM 1118 C ARG A 75 -1.321 15.363 -2.526 1.00 0.00 C ATOM 1119 O ARG A 75 -0.544 14.446 -2.260 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.322 16.576 -0.580 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.449 16.666 0.436 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.215 17.795 1.428 1.00 0.00 C ATOM 1123 NE ARG A 75 -3.769 19.061 0.957 1.00 0.00 N ATOM 1124 CZ ARG A 75 -5.072 19.312 0.886 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -5.949 18.389 1.254 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.499 20.489 0.447 1.00 0.00 N ATOM 0 H ARG A 75 -2.823 14.158 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.365 15.970 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.402 16.296 -0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.157 17.562 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.395 16.825 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.534 15.721 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.667 17.536 2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.145 17.910 1.601 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.120 19.793 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.624 17.483 1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.949 18.584 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.827 21.202 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.499 20.681 0.393 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.119 16.218 -3.523 1.00 0.00 N ATOM 1141 CA GLN A 76 0.054 16.124 -4.383 1.00 0.00 C ATOM 1142 C GLN A 76 0.171 14.732 -4.995 1.00 0.00 C ATOM 1143 O GLN A 76 1.095 13.980 -4.682 1.00 0.00 O ATOM 1144 CB GLN A 76 1.321 16.455 -3.592 1.00 0.00 C ATOM 1145 CG GLN A 76 1.358 17.883 -3.072 1.00 0.00 C ATOM 1146 CD GLN A 76 2.763 18.450 -3.025 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.704 17.661 -2.519 1.00 0.00 O flip ATOM 1148 NE2 GLN A 76 3.001 19.585 -3.439 1.00 0.00 N flip ATOM 0 H GLN A 76 -1.752 16.983 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.061 16.847 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.403 15.768 -2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.190 16.286 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.737 18.514 -3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.924 17.913 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.248 20.157 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.952 19.953 -3.401 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.771 14.394 -5.869 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.774 13.091 -6.525 1.00 0.00 C ATOM 1159 C LEU A 77 0.008 13.139 -7.834 1.00 0.00 C ATOM 1160 O LEU A 77 0.578 14.170 -8.191 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.209 12.636 -6.791 1.00 0.00 C ATOM 1162 CG LEU A 77 -2.999 12.157 -5.572 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.467 12.526 -5.708 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.839 10.654 -5.390 1.00 0.00 C ATOM 0 H LEU A 77 -1.542 15.004 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.290 12.375 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.752 13.463 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.183 11.828 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.602 12.655 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.013 12.177 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.564 13.609 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.879 12.057 -6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.408 10.330 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.209 10.139 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.785 10.415 -5.245 1.00 0.00 H new ATOM 1176 N ALA A 78 0.027 12.018 -8.547 1.00 0.00 N ATOM 1177 CA ALA A 78 0.735 11.933 -9.818 1.00 0.00 C ATOM 1178 C ALA A 78 -0.031 11.072 -10.816 1.00 0.00 C ATOM 1179 O ALA A 78 -0.830 10.216 -10.430 1.00 0.00 O ATOM 1180 CB ALA A 78 2.136 11.379 -9.607 1.00 0.00 C ATOM 0 H ALA A 78 -0.440 11.156 -8.266 1.00 0.00 H new ATOM 0 HA ALA A 78 0.813 12.939 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.653 11.321 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.689 12.035 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.071 10.383 -9.169 1.00 0.00 H new ATOM 1186 N LEU A 79 0.215 11.303 -12.101 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.453 10.548 -13.156 1.00 0.00 C ATOM 1188 C LEU A 79 -0.227 9.050 -12.980 1.00 0.00 C ATOM 1189 O LEU A 79 -1.022 8.232 -13.444 1.00 0.00 O ATOM 1190 CB LEU A 79 0.054 10.994 -14.529 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.398 12.379 -14.993 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.450 12.852 -16.163 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.872 12.359 -15.374 1.00 0.00 C ATOM 0 H LEU A 79 0.872 12.007 -12.438 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.523 10.746 -13.089 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.144 10.975 -14.516 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.269 10.262 -15.269 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.266 13.079 -14.168 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.114 13.839 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.495 12.905 -15.857 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.350 12.151 -16.992 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.177 13.353 -15.702 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.029 11.646 -16.183 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.467 12.064 -14.510 1.00 0.00 H new ATOM 1205 N LYS A 80 0.861 8.696 -12.305 1.00 0.00 N ATOM 1206 CA LYS A 80 1.192 7.296 -12.064 1.00 0.00 C ATOM 1207 C LYS A 80 0.322 6.716 -10.954 1.00 0.00 C ATOM 1208 O LYS A 80 0.081 5.509 -10.907 1.00 0.00 O ATOM 1209 CB LYS A 80 2.670 7.156 -11.694 1.00 0.00 C ATOM 1210 CG LYS A 80 3.071 7.964 -10.472 1.00 0.00 C ATOM 1211 CD LYS A 80 4.476 8.526 -10.611 1.00 0.00 C ATOM 1212 CE LYS A 80 5.034 8.969 -9.267 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.196 9.887 -9.425 1.00 0.00 N ATOM 0 H LYS A 80 1.530 9.360 -11.914 1.00 0.00 H new ATOM 0 HA LYS A 80 1.000 6.740 -12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.892 6.104 -11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.279 7.469 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.364 8.781 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.016 7.334 -9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.130 7.770 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.464 9.372 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.252 9.468 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.338 8.093 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.548 10.166 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.953 9.402 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.900 10.734 -9.950 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.148 7.582 -10.062 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.993 7.155 -8.954 1.00 0.00 C ATOM 1229 C ASP A 81 -2.302 6.560 -9.466 1.00 0.00 C ATOM 1230 O ASP A 81 -2.942 5.762 -8.781 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.284 8.333 -8.023 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.567 7.892 -6.601 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.602 7.570 -5.877 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.754 7.867 -6.211 1.00 0.00 O ATOM 0 H ASP A 81 0.042 8.584 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.458 6.385 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.433 9.014 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.139 8.891 -8.404 1.00 0.00 H new ATOM 1239 N SER A 82 -2.693 6.955 -10.673 1.00 0.00 N ATOM 1240 CA SER A 82 -3.927 6.465 -11.275 1.00 0.00 C ATOM 1241 C SER A 82 -3.977 4.940 -11.248 1.00 0.00 C ATOM 1242 O SER A 82 -3.297 4.272 -12.026 1.00 0.00 O ATOM 1243 CB SER A 82 -4.051 6.965 -12.715 1.00 0.00 C ATOM 1244 OG SER A 82 -2.970 6.506 -13.509 1.00 0.00 O ATOM 0 H SER A 82 -2.173 7.613 -11.253 1.00 0.00 H new ATOM 0 HA SER A 82 -4.764 6.849 -10.691 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.993 6.621 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.076 8.055 -12.724 1.00 0.00 H new ATOM 0 HG SER A 82 -2.327 7.234 -13.638 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.787 4.396 -10.344 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.911 2.955 -10.231 1.00 0.00 C ATOM 1252 C GLY A 83 -6.223 2.534 -9.600 1.00 0.00 C ATOM 1253 O GLY A 83 -7.291 2.720 -10.185 1.00 0.00 O ATOM 0 H GLY A 83 -5.359 4.928 -9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.828 2.507 -11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.084 2.568 -9.636 1.00 0.00 H new ATOM 1257 N THR A 84 -6.145 1.961 -8.402 1.00 0.00 N ATOM 1258 CA THR A 84 -7.335 1.510 -7.693 1.00 0.00 C ATOM 1259 C THR A 84 -7.077 1.410 -6.194 1.00 0.00 C ATOM 1260 O THR A 84 -6.312 0.556 -5.742 1.00 0.00 O ATOM 1261 CB THR A 84 -7.814 0.141 -8.212 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.957 0.180 -9.636 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.139 -0.247 -7.574 1.00 0.00 C ATOM 0 H THR A 84 -5.270 1.799 -7.904 1.00 0.00 H new ATOM 0 HA THR A 84 -8.112 2.252 -7.877 1.00 0.00 H new ATOM 0 HB THR A 84 -7.068 -0.606 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.119 1.103 -9.923 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.457 -1.217 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.019 -0.305 -6.492 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.893 0.503 -7.816 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.718 2.285 -5.427 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.558 2.293 -3.979 1.00 0.00 C ATOM 1273 C ILE A 85 -8.011 0.972 -3.368 1.00 0.00 C ATOM 1274 O ILE A 85 -9.184 0.608 -3.452 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.350 3.444 -3.331 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.886 4.790 -3.891 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.193 3.410 -1.818 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.447 5.118 -3.560 1.00 0.00 C ATOM 0 H ILE A 85 -8.354 2.998 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.496 2.437 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.406 3.318 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.009 4.786 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.529 5.578 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.759 4.230 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.568 2.461 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.139 3.515 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.187 6.086 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.322 5.155 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.794 4.350 -3.975 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.075 0.259 -2.752 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.378 -1.023 -2.127 1.00 0.00 C ATOM 1292 C TYR A 86 -7.415 -0.893 -0.608 1.00 0.00 C ATOM 1293 O TYR A 86 -6.439 -1.200 0.077 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.341 -2.071 -2.536 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.556 -2.626 -3.926 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.608 -3.493 -4.194 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.707 -2.284 -4.971 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.808 -4.003 -5.463 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.900 -2.787 -6.242 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.951 -3.647 -6.483 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.146 -4.152 -7.748 1.00 0.00 O ATOM 0 H TYR A 86 -6.100 0.547 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.362 -1.342 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.347 -1.627 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.364 -2.892 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.281 -3.773 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.881 -1.613 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.630 -4.676 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.232 -2.509 -7.043 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.456 -3.802 -8.350 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.549 -0.437 -0.087 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.715 -0.266 1.352 1.00 0.00 C ATOM 1313 C PHE A 87 -8.608 -1.605 2.075 1.00 0.00 C ATOM 1314 O PHE A 87 -8.943 -2.651 1.519 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.067 0.384 1.657 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.356 0.505 3.125 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.750 1.493 3.885 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.233 -0.369 3.747 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.014 1.607 5.237 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.501 -0.260 5.098 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.890 0.729 5.844 1.00 0.00 C ATOM 0 H PHE A 87 -9.367 -0.179 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.917 0.385 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.094 1.376 1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.857 -0.201 1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.063 2.182 3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.713 -1.145 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.536 2.382 5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.187 -0.947 5.570 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.097 0.815 6.900 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.137 -1.564 3.318 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.984 -2.774 4.116 1.00 0.00 C ATOM 1333 C GLU A 88 -8.563 -2.580 5.515 1.00 0.00 C ATOM 1334 O GLU A 88 -8.344 -1.550 6.152 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.507 -3.164 4.214 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.098 -4.251 3.234 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.623 -4.588 3.320 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.047 -4.456 4.421 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.043 -4.984 2.287 1.00 0.00 O ATOM 0 H GLU A 88 -7.855 -0.706 3.793 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.533 -3.576 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.894 -2.280 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.296 -3.503 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.684 -5.149 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.335 -3.929 2.220 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.305 -3.578 5.985 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.915 -3.519 7.307 1.00 0.00 C ATOM 1348 C ALA A 89 -10.408 -4.893 7.746 1.00 0.00 C ATOM 1349 O ALA A 89 -11.463 -5.353 7.311 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.060 -2.517 7.316 1.00 0.00 C ATOM 0 H ALA A 89 -9.498 -4.437 5.469 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.155 -3.191 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.506 -2.483 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.681 -1.529 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.814 -2.820 6.590 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.637 -5.546 8.611 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.013 -6.862 9.093 1.00 0.00 C ATOM 1358 C GLY A 90 -9.884 -7.929 8.025 1.00 0.00 C ATOM 1359 O GLY A 90 -8.781 -8.229 7.567 1.00 0.00 O ATOM 0 H GLY A 90 -8.759 -5.187 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.386 -7.127 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.042 -6.834 9.452 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.013 -8.506 7.628 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.022 -9.547 6.607 1.00 0.00 C ATOM 1365 C ASP A 91 -11.727 -9.063 5.344 1.00 0.00 C ATOM 1366 O ASP A 91 -12.186 -9.867 4.532 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.708 -10.806 7.139 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.856 -11.547 8.150 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -9.615 -11.419 8.089 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -11.430 -12.254 9.005 1.00 0.00 O ATOM 0 H ASP A 91 -11.934 -8.270 7.998 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.988 -9.785 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.657 -10.532 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.938 -11.470 6.306 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.810 -7.746 5.186 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.461 -7.156 4.022 1.00 0.00 C ATOM 1377 C GLN A 92 -11.471 -6.334 3.203 1.00 0.00 C ATOM 1378 O GLN A 92 -10.288 -6.261 3.534 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.634 -6.277 4.459 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.784 -7.059 5.075 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.552 -7.871 4.051 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.307 -7.324 3.247 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.363 -9.186 4.076 1.00 0.00 N ATOM 0 H GLN A 92 -11.435 -7.068 5.849 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.836 -7.966 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.277 -5.542 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.003 -5.723 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.394 -7.726 5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.465 -6.367 5.569 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.728 -9.597 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.853 -9.784 3.411 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.964 -5.718 2.134 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.122 -4.902 1.267 1.00 0.00 C ATOM 1394 C ARG A 93 -11.958 -4.207 0.196 1.00 0.00 C ATOM 1395 O ARG A 93 -12.620 -4.860 -0.610 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.045 -5.765 0.608 1.00 0.00 C ATOM 1397 CG ARG A 93 -9.099 -4.981 -0.286 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.501 -5.861 -1.373 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.373 -5.958 -2.540 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.256 -6.901 -3.468 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -8.309 -7.823 -3.366 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.088 -6.923 -4.502 1.00 0.00 N ATOM 0 H ARG A 93 -12.942 -5.768 1.847 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.642 -4.140 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.466 -6.265 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.527 -6.544 0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.635 -4.149 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.299 -4.552 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.535 -5.457 -1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.319 -6.858 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.112 -5.264 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.667 -7.810 -2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.222 -8.546 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.818 -6.215 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.997 -7.648 -5.214 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.922 -2.879 0.194 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.674 -2.095 -0.778 1.00 0.00 C ATOM 1418 C ALA A 94 -11.851 -1.846 -2.037 1.00 0.00 C ATOM 1419 O ALA A 94 -10.636 -2.049 -2.047 1.00 0.00 O ATOM 1420 CB ALA A 94 -13.115 -0.775 -0.164 1.00 0.00 C ATOM 0 H ALA A 94 -11.380 -2.323 0.855 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.559 -2.665 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.675 -0.200 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.748 -0.970 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.238 -0.208 0.148 1.00 0.00 H new ATOM 1426 N SER A 95 -12.519 -1.407 -3.099 1.00 0.00 N ATOM 1427 CA SER A 95 -11.850 -1.135 -4.365 1.00 0.00 C ATOM 1428 C SER A 95 -12.561 -0.021 -5.128 1.00 0.00 C ATOM 1429 O SER A 95 -13.734 -0.147 -5.480 1.00 0.00 O ATOM 1430 CB SER A 95 -11.798 -2.402 -5.221 1.00 0.00 C ATOM 1431 OG SER A 95 -12.983 -3.165 -5.076 1.00 0.00 O ATOM 0 H SER A 95 -13.524 -1.232 -3.107 1.00 0.00 H new ATOM 0 HA SER A 95 -10.833 -0.810 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.662 -2.132 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.936 -3.004 -4.933 1.00 0.00 H new ATOM 0 HG SER A 95 -12.925 -3.968 -5.634 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.843 1.068 -5.379 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.404 2.203 -6.101 1.00 0.00 C ATOM 1439 C ALA A 96 -11.506 2.612 -7.264 1.00 0.00 C ATOM 1440 O ALA A 96 -10.281 2.534 -7.171 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.614 3.377 -5.156 1.00 0.00 C ATOM 0 H ALA A 96 -10.871 1.188 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.369 1.902 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.033 4.218 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.301 3.086 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.658 3.669 -4.721 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.123 3.047 -8.357 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.379 3.469 -9.538 1.00 0.00 C ATOM 1449 C ALA A 97 -10.709 4.820 -9.310 1.00 0.00 C ATOM 1450 O ALA A 97 -11.352 5.866 -9.402 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.300 3.531 -10.747 1.00 0.00 C ATOM 0 H ALA A 97 -13.136 3.117 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.598 2.733 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.732 3.847 -11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.728 2.545 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.102 4.245 -10.558 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.415 4.790 -9.013 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.657 6.013 -8.772 1.00 0.00 C ATOM 1459 C LEU A 98 -8.110 6.581 -10.077 1.00 0.00 C ATOM 1460 O LEU A 98 -7.037 6.188 -10.535 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.508 5.741 -7.799 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.418 6.811 -7.732 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -7.032 8.187 -7.530 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.430 6.497 -6.618 1.00 0.00 C ATOM 0 H LEU A 98 -8.868 3.932 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.331 6.748 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.926 5.614 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.043 4.794 -8.073 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.879 6.812 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.241 8.935 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.699 8.414 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.597 8.200 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.661 7.269 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.955 6.467 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.965 5.530 -6.806 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.853 7.509 -10.671 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.442 8.132 -11.923 1.00 0.00 C ATOM 1478 C ARG A 99 -7.712 9.447 -11.662 1.00 0.00 C ATOM 1479 O ARG A 99 -8.087 10.211 -10.773 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.658 8.380 -12.817 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.367 7.107 -13.249 1.00 0.00 C ATOM 1482 CD ARG A 99 -9.596 6.383 -14.342 1.00 0.00 C ATOM 1483 NE ARG A 99 -9.994 4.983 -14.457 1.00 0.00 N ATOM 1484 CZ ARG A 99 -9.682 4.054 -13.559 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -8.973 4.377 -12.486 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -10.081 2.801 -13.734 1.00 0.00 N ATOM 0 H ARG A 99 -9.743 7.846 -10.305 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.759 7.452 -12.431 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.365 9.017 -12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.340 8.928 -13.704 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.488 6.447 -12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.367 7.350 -13.608 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.760 6.886 -15.295 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.528 6.440 -14.131 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.541 4.703 -15.271 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.666 5.340 -12.348 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.735 3.663 -11.798 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.627 2.550 -14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.841 2.088 -13.045 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.668 9.702 -12.443 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.885 10.924 -12.298 1.00 0.00 C ATOM 1502 C VAL A 100 -5.349 11.397 -13.644 1.00 0.00 C ATOM 1503 O VAL A 100 -4.404 10.822 -14.186 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.704 10.722 -11.329 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.874 11.993 -11.227 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.207 10.293 -9.959 1.00 0.00 C ATOM 0 H VAL A 100 -6.344 9.079 -13.183 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.554 11.682 -11.891 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.066 9.930 -11.721 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.045 11.832 -10.538 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.484 12.252 -12.211 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.498 12.807 -10.858 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.360 10.155 -9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.867 11.061 -9.557 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.755 9.355 -10.050 1.00 0.00 H new ATOM 1516 N THR A 101 -5.958 12.450 -14.181 1.00 0.00 N ATOM 1517 CA THR A 101 -5.543 13.001 -15.464 1.00 0.00 C ATOM 1518 C THR A 101 -4.460 14.058 -15.285 1.00 0.00 C ATOM 1519 O THR A 101 -4.130 14.436 -14.161 1.00 0.00 O ATOM 1520 CB THR A 101 -6.732 13.624 -16.219 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.143 14.834 -15.574 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.903 12.654 -16.280 1.00 0.00 C ATOM 0 H THR A 101 -6.741 12.938 -13.746 1.00 0.00 H new ATOM 0 HA THR A 101 -5.144 12.172 -16.049 1.00 0.00 H new ATOM 0 HB THR A 101 -6.411 13.846 -17.237 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.898 15.224 -16.062 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.731 13.116 -16.818 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.596 11.745 -16.798 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.222 12.405 -15.268 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.911 14.532 -16.399 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.864 15.547 -16.362 1.00 0.00 C ATOM 1532 C GLU A 102 -3.320 16.770 -15.571 1.00 0.00 C ATOM 1533 O GLU A 102 -4.500 16.914 -15.252 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.475 15.961 -17.783 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.364 15.114 -18.381 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.429 15.051 -19.894 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -2.490 14.666 -20.428 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.417 15.387 -20.545 1.00 0.00 O ATOM 0 H GLU A 102 -4.173 14.230 -17.337 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.994 15.118 -15.865 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.354 15.898 -18.424 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.161 17.005 -17.775 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.399 15.521 -18.079 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.424 14.104 -17.976 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.374 17.649 -15.257 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.675 18.861 -14.504 1.00 0.00 C ATOM 1547 C LYS A 103 -2.043 20.082 -15.163 1.00 0.00 C ATOM 1548 O LYS A 103 -1.070 19.980 -15.911 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.175 18.729 -13.064 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.733 19.167 -12.878 1.00 0.00 C ATOM 1551 CD LYS A 103 0.239 18.134 -13.422 1.00 0.00 C ATOM 1552 CE LYS A 103 1.317 18.779 -14.279 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.489 17.879 -14.467 1.00 0.00 N ATOM 0 H LYS A 103 -1.392 17.545 -15.512 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.757 18.994 -14.496 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.814 19.324 -12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.274 17.691 -12.748 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.573 20.120 -13.383 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.536 19.331 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.703 17.598 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.305 17.397 -14.013 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.900 19.040 -15.252 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.644 19.708 -13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.201 18.355 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.903 17.650 -13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.182 17.003 -14.935 1.00 0.00 H new