USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 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 Set 1.1: A 68 THR OG1 : rot 180:sc= -0.0176 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-2.2!) USER MOD Set 2.1: A 28 CYS SG : rot 172:sc= 0.291 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0.43 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.58) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= 0.116 (180deg=-0.238) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 163:sc= -0.121 (180deg=-0.486) USER MOD Single : A 49 ASN : amide:sc= 0.318 K(o=0.32,f=-0.41) USER MOD Single : A 51 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.043) USER MOD Single : A 53 GLN : amide:sc= -0.0984 K(o=-0.098,f=-2.1!) USER MOD Single : A 59 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.1!) USER MOD Single : A 62 LYS NZ :NH3+ -116:sc= 0.0432 (180deg=-0.109) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 2.438 -9.941 -4.257 1.00 0.00 N ATOM 177 CA PRO A 16 1.776 -8.821 -3.581 1.00 0.00 C ATOM 178 C PRO A 16 1.571 -7.625 -4.505 1.00 0.00 C ATOM 179 O PRO A 16 2.180 -7.541 -5.572 1.00 0.00 O ATOM 180 CB PRO A 16 2.747 -8.464 -2.453 1.00 0.00 C ATOM 181 CG PRO A 16 4.077 -8.929 -2.936 1.00 0.00 C ATOM 182 CD PRO A 16 3.811 -10.153 -3.768 1.00 0.00 C ATOM 0 HA PRO A 16 0.777 -9.087 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.750 -7.392 -2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.470 -8.957 -1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.570 -8.156 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.736 -9.161 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.521 -10.242 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.891 -11.066 -3.177 1.00 0.00 H new ATOM 190 N VAL A 17 0.711 -6.702 -4.088 1.00 0.00 N ATOM 191 CA VAL A 17 0.427 -5.510 -4.878 1.00 0.00 C ATOM 192 C VAL A 17 1.239 -4.318 -4.385 1.00 0.00 C ATOM 193 O VAL A 17 1.358 -4.088 -3.182 1.00 0.00 O ATOM 194 CB VAL A 17 -1.070 -5.150 -4.833 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.336 -3.870 -5.610 1.00 0.00 C ATOM 196 CG2 VAL A 17 -1.910 -6.297 -5.376 1.00 0.00 C ATOM 0 H VAL A 17 0.199 -6.757 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 17 0.708 -5.738 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.354 -4.981 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.399 -3.632 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.763 -3.053 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.037 -4.006 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.965 -6.026 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.625 -6.499 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.742 -7.189 -4.772 1.00 0.00 H new ATOM 206 N PHE A 18 1.798 -3.561 -5.324 1.00 0.00 N ATOM 207 CA PHE A 18 2.601 -2.391 -4.986 1.00 0.00 C ATOM 208 C PHE A 18 1.954 -1.116 -5.517 1.00 0.00 C ATOM 209 O PHE A 18 1.608 -1.026 -6.695 1.00 0.00 O ATOM 210 CB PHE A 18 4.014 -2.535 -5.554 1.00 0.00 C ATOM 211 CG PHE A 18 4.804 -3.646 -4.922 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.709 -4.941 -5.404 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.641 -3.394 -3.848 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.434 -5.965 -4.824 1.00 0.00 C ATOM 215 CE2 PHE A 18 6.369 -4.414 -3.264 1.00 0.00 C ATOM 216 CZ PHE A 18 6.266 -5.701 -3.754 1.00 0.00 C ATOM 0 H PHE A 18 1.710 -3.737 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 18 2.659 -2.322 -3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.949 -2.711 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.550 -1.596 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.062 -5.153 -6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.726 -2.389 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.350 -6.971 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.017 -4.205 -2.426 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.835 -6.499 -3.301 1.00 0.00 H new ATOM 226 N ALA A 19 1.794 -0.130 -4.640 1.00 0.00 N ATOM 227 CA ALA A 19 1.191 1.141 -5.020 1.00 0.00 C ATOM 228 C ALA A 19 2.140 2.303 -4.746 1.00 0.00 C ATOM 229 O ALA A 19 2.558 2.522 -3.609 1.00 0.00 O ATOM 230 CB ALA A 19 -0.122 1.344 -4.279 1.00 0.00 C ATOM 0 H ALA A 19 2.074 -0.188 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 19 0.991 1.114 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.562 2.297 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.809 0.535 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.063 1.345 -3.205 1.00 0.00 H new ATOM 236 N LYS A 20 2.478 3.044 -5.795 1.00 0.00 N ATOM 237 CA LYS A 20 3.378 4.185 -5.669 1.00 0.00 C ATOM 238 C LYS A 20 2.645 5.396 -5.101 1.00 0.00 C ATOM 239 O LYS A 20 1.455 5.586 -5.350 1.00 0.00 O ATOM 240 CB LYS A 20 3.984 4.535 -7.030 1.00 0.00 C ATOM 241 CG LYS A 20 4.519 5.954 -7.110 1.00 0.00 C ATOM 242 CD LYS A 20 5.655 6.066 -8.113 1.00 0.00 C ATOM 243 CE LYS A 20 6.914 5.378 -7.608 1.00 0.00 C ATOM 244 NZ LYS A 20 8.128 5.838 -8.337 1.00 0.00 N ATOM 0 H LYS A 20 2.142 2.875 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 20 4.178 3.911 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.793 3.838 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.227 4.397 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.714 6.632 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.869 6.268 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.351 5.621 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.867 7.117 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.033 5.576 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.809 4.299 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.965 5.346 -7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.026 5.627 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.243 6.863 -8.207 1.00 0.00 H new ATOM 258 N ALA A 21 3.364 6.211 -4.337 1.00 0.00 N ATOM 259 CA ALA A 21 2.782 7.406 -3.736 1.00 0.00 C ATOM 260 C ALA A 21 2.920 8.609 -4.662 1.00 0.00 C ATOM 261 O ALA A 21 4.017 9.138 -4.849 1.00 0.00 O ATOM 262 CB ALA A 21 3.437 7.693 -2.393 1.00 0.00 C ATOM 0 H ALA A 21 4.350 6.066 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 21 1.719 7.223 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.993 8.587 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.282 6.846 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.506 7.851 -2.536 1.00 0.00 H new ATOM 268 N ILE A 22 1.803 9.035 -5.241 1.00 0.00 N ATOM 269 CA ILE A 22 1.800 10.176 -6.148 1.00 0.00 C ATOM 270 C ILE A 22 1.676 11.488 -5.380 1.00 0.00 C ATOM 271 O ILE A 22 2.190 12.520 -5.810 1.00 0.00 O ATOM 272 CB ILE A 22 0.652 10.081 -7.169 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.690 10.358 -6.488 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.644 8.711 -7.831 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.834 10.545 -7.460 1.00 0.00 C ATOM 0 H ILE A 22 0.888 8.607 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 22 2.751 10.158 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 22 0.808 10.835 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.925 9.532 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.598 11.252 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.173 8.659 -8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.591 8.550 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.508 7.941 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.753 10.737 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.621 11.390 -8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.953 9.642 -8.059 1.00 0.00 H new ATOM 287 N GLN A 23 0.991 11.439 -4.243 1.00 0.00 N ATOM 288 CA GLN A 23 0.800 12.624 -3.414 1.00 0.00 C ATOM 289 C GLN A 23 1.294 12.380 -1.993 1.00 0.00 C ATOM 290 O GLN A 23 1.139 11.286 -1.449 1.00 0.00 O ATOM 291 CB GLN A 23 -0.676 13.024 -3.392 1.00 0.00 C ATOM 292 CG GLN A 23 -0.900 14.516 -3.206 1.00 0.00 C ATOM 293 CD GLN A 23 0.020 15.356 -4.071 1.00 0.00 C ATOM 294 OE1 GLN A 23 -0.106 15.374 -5.296 1.00 0.00 O ATOM 295 NE2 GLN A 23 0.952 16.057 -3.437 1.00 0.00 N ATOM 0 H GLN A 23 0.559 10.592 -3.874 1.00 0.00 H new ATOM 0 HA GLN A 23 1.383 13.437 -3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.143 12.709 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.177 12.487 -2.587 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.936 14.757 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.745 14.775 -2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.020 16.012 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.600 16.640 -3.967 1.00 0.00 H new ATOM 304 N LYS A 24 1.891 13.405 -1.395 1.00 0.00 N ATOM 305 CA LYS A 24 2.409 13.304 -0.035 1.00 0.00 C ATOM 306 C LYS A 24 1.271 13.153 0.970 1.00 0.00 C ATOM 307 O LYS A 24 0.256 13.844 0.880 1.00 0.00 O ATOM 308 CB LYS A 24 3.246 14.538 0.307 1.00 0.00 C ATOM 309 CG LYS A 24 4.106 14.364 1.547 1.00 0.00 C ATOM 310 CD LYS A 24 4.974 15.586 1.799 1.00 0.00 C ATOM 311 CE LYS A 24 5.395 15.678 3.258 1.00 0.00 C ATOM 312 NZ LYS A 24 6.699 16.381 3.415 1.00 0.00 N ATOM 0 H LYS A 24 2.029 14.317 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 24 3.041 12.418 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.889 14.777 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.581 15.389 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.467 14.186 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.739 13.484 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.860 15.542 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.427 16.486 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.628 16.205 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.470 14.675 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.951 16.423 4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.437 15.864 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.621 17.347 3.037 1.00 0.00 H new ATOM 326 N ARG A 25 1.449 12.249 1.927 1.00 0.00 N ATOM 327 CA ARG A 25 0.437 12.009 2.949 1.00 0.00 C ATOM 328 C ARG A 25 0.889 12.557 4.300 1.00 0.00 C ATOM 329 O ARG A 25 1.935 12.168 4.821 1.00 0.00 O ATOM 330 CB ARG A 25 0.144 10.512 3.066 1.00 0.00 C ATOM 331 CG ARG A 25 -1.234 10.203 3.626 1.00 0.00 C ATOM 332 CD ARG A 25 -1.311 10.507 5.114 1.00 0.00 C ATOM 333 NE ARG A 25 -2.574 10.063 5.699 1.00 0.00 N ATOM 334 CZ ARG A 25 -3.690 10.782 5.670 1.00 0.00 C ATOM 335 NH1 ARG A 25 -3.701 11.973 5.087 1.00 0.00 N ATOM 336 NH2 ARG A 25 -4.800 10.310 6.224 1.00 0.00 N ATOM 0 H ARG A 25 2.284 11.671 2.016 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.474 12.528 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.238 10.054 2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.898 10.052 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.984 10.789 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.470 9.153 3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.482 10.019 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.196 11.579 5.271 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.600 9.151 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.851 12.339 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.560 12.523 5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.796 9.394 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.657 10.863 6.201 1.00 0.00 H new ATOM 350 N VAL A 26 0.094 13.461 4.862 1.00 0.00 N ATOM 351 CA VAL A 26 0.411 14.062 6.152 1.00 0.00 C ATOM 352 C VAL A 26 -0.706 13.818 7.161 1.00 0.00 C ATOM 353 O VAL A 26 -1.672 14.575 7.251 1.00 0.00 O ATOM 354 CB VAL A 26 0.648 15.578 6.022 1.00 0.00 C ATOM 355 CG1 VAL A 26 0.964 16.188 7.380 1.00 0.00 C ATOM 356 CG2 VAL A 26 1.765 15.859 5.029 1.00 0.00 C ATOM 0 H VAL A 26 -0.775 13.794 4.444 1.00 0.00 H new ATOM 0 HA VAL A 26 1.327 13.588 6.506 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.265 16.040 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.128 17.260 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.128 16.018 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.862 15.724 7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.919 16.935 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.685 15.385 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.493 15.458 4.052 1.00 0.00 H new ATOM 366 N PRO A 27 -0.572 12.735 7.941 1.00 0.00 N ATOM 367 CA PRO A 27 -1.560 12.366 8.959 1.00 0.00 C ATOM 368 C PRO A 27 -1.567 13.334 10.138 1.00 0.00 C ATOM 369 O PRO A 27 -0.584 14.033 10.385 1.00 0.00 O ATOM 370 CB PRO A 27 -1.101 10.977 9.411 1.00 0.00 C ATOM 371 CG PRO A 27 0.360 10.947 9.121 1.00 0.00 C ATOM 372 CD PRO A 27 0.554 11.787 7.889 1.00 0.00 C ATOM 0 HA PRO A 27 -2.577 12.388 8.567 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.297 10.821 10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.628 10.191 8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.933 11.345 9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.704 9.926 8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.514 12.303 7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.529 11.182 6.982 1.00 0.00 H new ATOM 380 N CYS A 28 -2.681 13.369 10.861 1.00 0.00 N ATOM 381 CA CYS A 28 -2.816 14.252 12.014 1.00 0.00 C ATOM 382 C CYS A 28 -2.271 13.588 13.274 1.00 0.00 C ATOM 383 O CYS A 28 -1.983 12.392 13.283 1.00 0.00 O ATOM 384 CB CYS A 28 -4.281 14.637 12.219 1.00 0.00 C ATOM 385 SG CYS A 28 -4.786 16.125 11.324 1.00 0.00 S ATOM 0 H CYS A 28 -3.503 12.797 10.669 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.235 15.154 11.820 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.911 13.805 11.904 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.460 14.788 13.284 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.073 16.277 11.426 1.00 0.00 H new ATOM 391 N ALA A 29 -2.129 14.374 14.337 1.00 0.00 N ATOM 392 CA ALA A 29 -1.619 13.863 15.603 1.00 0.00 C ATOM 393 C ALA A 29 -2.575 12.840 16.207 1.00 0.00 C ATOM 394 O ALA A 29 -2.186 11.708 16.496 1.00 0.00 O ATOM 395 CB ALA A 29 -1.383 15.007 16.577 1.00 0.00 C ATOM 0 H ALA A 29 -2.360 15.367 14.346 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.670 13.364 15.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.002 14.611 17.518 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.656 15.700 16.155 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.322 15.531 16.757 1.00 0.00 H new ATOM 401 N TYR A 30 -3.826 13.245 16.395 1.00 0.00 N ATOM 402 CA TYR A 30 -4.837 12.364 16.968 1.00 0.00 C ATOM 403 C TYR A 30 -4.995 11.099 16.130 1.00 0.00 C ATOM 404 O TYR A 30 -5.470 10.073 16.618 1.00 0.00 O ATOM 405 CB TYR A 30 -6.178 13.092 17.071 1.00 0.00 C ATOM 406 CG TYR A 30 -6.609 13.753 15.782 1.00 0.00 C ATOM 407 CD1 TYR A 30 -6.126 15.005 15.424 1.00 0.00 C ATOM 408 CD2 TYR A 30 -7.500 13.124 14.920 1.00 0.00 C ATOM 409 CE1 TYR A 30 -6.518 15.613 14.247 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.896 13.723 13.740 1.00 0.00 C ATOM 411 CZ TYR A 30 -7.403 14.968 13.408 1.00 0.00 C ATOM 412 OH TYR A 30 -7.795 15.569 12.234 1.00 0.00 O ATOM 0 H TYR A 30 -4.164 14.178 16.159 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.509 12.077 17.967 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.945 12.381 17.379 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.112 13.849 17.853 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.432 15.512 16.077 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.889 12.150 15.177 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.134 16.588 13.985 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.588 13.219 13.081 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.420 14.982 11.759 1.00 0.00 H new ATOM 422 N ASP A 31 -4.592 11.180 14.867 1.00 0.00 N ATOM 423 CA ASP A 31 -4.687 10.042 13.960 1.00 0.00 C ATOM 424 C ASP A 31 -3.410 9.208 13.999 1.00 0.00 C ATOM 425 O ASP A 31 -2.314 9.719 13.767 1.00 0.00 O ATOM 426 CB ASP A 31 -4.954 10.521 12.532 1.00 0.00 C ATOM 427 CG ASP A 31 -5.513 9.424 11.648 1.00 0.00 C ATOM 428 OD1 ASP A 31 -5.283 8.237 11.960 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.179 9.752 10.644 1.00 0.00 O ATOM 0 H ASP A 31 -4.196 12.022 14.448 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.518 9.417 14.287 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.655 11.356 12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.027 10.896 12.098 1.00 0.00 H new ATOM 434 N LYS A 32 -3.559 7.921 14.295 1.00 0.00 N ATOM 435 CA LYS A 32 -2.419 7.015 14.365 1.00 0.00 C ATOM 436 C LYS A 32 -2.493 5.961 13.265 1.00 0.00 C ATOM 437 O LYS A 32 -1.468 5.470 12.790 1.00 0.00 O ATOM 438 CB LYS A 32 -2.365 6.335 15.735 1.00 0.00 C ATOM 439 CG LYS A 32 -1.630 7.145 16.788 1.00 0.00 C ATOM 440 CD LYS A 32 -2.486 8.288 17.310 1.00 0.00 C ATOM 441 CE LYS A 32 -1.652 9.304 18.075 1.00 0.00 C ATOM 442 NZ LYS A 32 -2.487 10.127 18.993 1.00 0.00 N ATOM 0 H LYS A 32 -4.459 7.482 14.490 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.512 7.601 14.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.382 6.147 16.078 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.879 5.365 15.631 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.345 6.495 17.615 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.708 7.544 16.364 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.986 8.780 16.476 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.266 7.892 17.960 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.884 8.785 18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.137 9.956 17.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.972 10.286 19.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.696 11.042 18.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.377 9.628 19.194 1.00 0.00 H new ATOM 456 N THR A 33 -3.713 5.618 12.861 1.00 0.00 N ATOM 457 CA THR A 33 -3.920 4.623 11.817 1.00 0.00 C ATOM 458 C THR A 33 -3.529 5.171 10.450 1.00 0.00 C ATOM 459 O THR A 33 -3.194 4.414 9.540 1.00 0.00 O ATOM 460 CB THR A 33 -5.388 4.157 11.770 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.260 5.290 11.692 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.732 3.329 12.998 1.00 0.00 C ATOM 0 H THR A 33 -4.572 6.015 13.242 1.00 0.00 H new ATOM 0 HA THR A 33 -3.283 3.772 12.060 1.00 0.00 H new ATOM 0 HB THR A 33 -5.521 3.536 10.884 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.191 4.985 11.661 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.773 3.011 12.943 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.087 2.452 13.038 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.583 3.930 13.895 1.00 0.00 H new ATOM 470 N ALA A 34 -3.573 6.492 10.312 1.00 0.00 N ATOM 471 CA ALA A 34 -3.220 7.142 9.056 1.00 0.00 C ATOM 472 C ALA A 34 -1.736 6.975 8.749 1.00 0.00 C ATOM 473 O ALA A 34 -0.884 7.573 9.408 1.00 0.00 O ATOM 474 CB ALA A 34 -3.588 8.618 9.103 1.00 0.00 C ATOM 0 H ALA A 34 -3.850 7.133 11.055 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.786 6.663 8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.319 9.090 8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.661 8.720 9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.049 9.102 9.917 1.00 0.00 H new ATOM 480 N LEU A 35 -1.432 6.157 7.747 1.00 0.00 N ATOM 481 CA LEU A 35 -0.049 5.911 7.354 1.00 0.00 C ATOM 482 C LEU A 35 0.535 7.119 6.629 1.00 0.00 C ATOM 483 O LEU A 35 -0.102 7.693 5.746 1.00 0.00 O ATOM 484 CB LEU A 35 0.034 4.675 6.456 1.00 0.00 C ATOM 485 CG LEU A 35 1.335 3.876 6.532 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.333 2.753 5.506 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.534 4.790 6.323 1.00 0.00 C ATOM 0 H LEU A 35 -2.124 5.653 7.192 1.00 0.00 H new ATOM 0 HA LEU A 35 0.534 5.737 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.792 4.011 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.115 4.990 5.423 1.00 0.00 H new ATOM 0 HG LEU A 35 1.409 3.432 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.267 2.195 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.495 2.083 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.235 3.174 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.452 4.205 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.465 5.262 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.545 5.558 7.096 1.00 0.00 H new ATOM 499 N ALA A 36 1.751 7.499 7.008 1.00 0.00 N ATOM 500 CA ALA A 36 2.423 8.636 6.391 1.00 0.00 C ATOM 501 C ALA A 36 3.386 8.179 5.301 1.00 0.00 C ATOM 502 O ALA A 36 4.105 7.193 5.467 1.00 0.00 O ATOM 503 CB ALA A 36 3.161 9.448 7.445 1.00 0.00 C ATOM 0 H ALA A 36 2.291 7.036 7.739 1.00 0.00 H new ATOM 0 HA ALA A 36 1.665 9.267 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.658 10.294 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.450 9.814 8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.904 8.819 7.935 1.00 0.00 H new ATOM 509 N LEU A 37 3.396 8.902 4.186 1.00 0.00 N ATOM 510 CA LEU A 37 4.271 8.571 3.067 1.00 0.00 C ATOM 511 C LEU A 37 4.791 9.834 2.389 1.00 0.00 C ATOM 512 O LEU A 37 4.254 10.923 2.591 1.00 0.00 O ATOM 513 CB LEU A 37 3.527 7.702 2.051 1.00 0.00 C ATOM 514 CG LEU A 37 2.812 6.474 2.614 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.781 5.956 1.624 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.817 5.384 2.960 1.00 0.00 C ATOM 0 H LEU A 37 2.808 9.721 4.033 1.00 0.00 H new ATOM 0 HA LEU A 37 5.123 8.014 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.791 8.324 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.240 7.368 1.297 1.00 0.00 H new ATOM 0 HG LEU A 37 2.294 6.766 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.282 5.082 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.044 6.734 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.277 5.680 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.291 4.517 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.363 5.095 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.518 5.759 3.706 1.00 0.00 H new ATOM 528 N GLU A 38 5.837 9.680 1.584 1.00 0.00 N ATOM 529 CA GLU A 38 6.428 10.810 0.876 1.00 0.00 C ATOM 530 C GLU A 38 6.296 10.634 -0.634 1.00 0.00 C ATOM 531 O GLU A 38 6.423 9.526 -1.155 1.00 0.00 O ATOM 532 CB GLU A 38 7.902 10.964 1.255 1.00 0.00 C ATOM 533 CG GLU A 38 8.698 11.809 0.275 1.00 0.00 C ATOM 534 CD GLU A 38 9.871 12.514 0.929 1.00 0.00 C ATOM 535 OE1 GLU A 38 9.813 12.751 2.153 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.847 12.827 0.215 1.00 0.00 O ATOM 0 H GLU A 38 6.293 8.785 1.406 1.00 0.00 H new ATOM 0 HA GLU A 38 5.889 11.711 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.968 11.413 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.356 9.975 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.065 11.174 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.040 12.551 -0.177 1.00 0.00 H new ATOM 543 N VAL A 39 6.039 11.736 -1.332 1.00 0.00 N ATOM 544 CA VAL A 39 5.890 11.705 -2.782 1.00 0.00 C ATOM 545 C VAL A 39 6.913 10.772 -3.420 1.00 0.00 C ATOM 546 O VAL A 39 8.101 11.086 -3.483 1.00 0.00 O ATOM 547 CB VAL A 39 6.044 13.111 -3.392 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.825 13.068 -4.897 1.00 0.00 C ATOM 549 CG2 VAL A 39 5.080 14.086 -2.733 1.00 0.00 C ATOM 0 H VAL A 39 5.930 12.661 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 39 4.886 11.335 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 39 7.060 13.459 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.938 14.070 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.559 12.403 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.821 12.700 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.202 15.074 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.056 13.744 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.290 14.139 -1.665 1.00 0.00 H new ATOM 559 N GLY A 40 6.442 9.622 -3.894 1.00 0.00 N ATOM 560 CA GLY A 40 7.329 8.660 -4.521 1.00 0.00 C ATOM 561 C GLY A 40 7.754 7.558 -3.572 1.00 0.00 C ATOM 562 O GLY A 40 8.891 7.088 -3.625 1.00 0.00 O ATOM 0 H GLY A 40 5.463 9.340 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.830 8.219 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.214 9.176 -4.893 1.00 0.00 H new ATOM 566 N ASP A 41 6.840 7.145 -2.700 1.00 0.00 N ATOM 567 CA ASP A 41 7.127 6.091 -1.734 1.00 0.00 C ATOM 568 C ASP A 41 6.304 4.842 -2.032 1.00 0.00 C ATOM 569 O ASP A 41 5.073 4.882 -2.028 1.00 0.00 O ATOM 570 CB ASP A 41 6.838 6.580 -0.313 1.00 0.00 C ATOM 571 CG ASP A 41 8.020 7.301 0.303 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.648 8.119 -0.401 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.319 7.047 1.488 1.00 0.00 O ATOM 0 H ASP A 41 5.895 7.524 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 41 8.184 5.836 -1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.977 7.248 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.569 5.729 0.313 1.00 0.00 H new ATOM 578 N ILE A 42 6.991 3.735 -2.291 1.00 0.00 N ATOM 579 CA ILE A 42 6.324 2.474 -2.592 1.00 0.00 C ATOM 580 C ILE A 42 5.571 1.947 -1.375 1.00 0.00 C ATOM 581 O ILE A 42 6.155 1.742 -0.311 1.00 0.00 O ATOM 582 CB ILE A 42 7.327 1.405 -3.064 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.099 1.904 -4.287 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.604 0.105 -3.381 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.251 2.009 -5.535 1.00 0.00 C ATOM 0 H ILE A 42 8.010 3.685 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 42 5.616 2.675 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 42 8.039 1.215 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.525 2.882 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.933 1.230 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.326 -0.641 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.095 -0.256 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.872 0.279 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.863 2.369 -6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.846 1.028 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.431 2.706 -5.360 1.00 0.00 H new ATOM 597 N VAL A 43 4.270 1.729 -1.540 1.00 0.00 N ATOM 598 CA VAL A 43 3.437 1.222 -0.456 1.00 0.00 C ATOM 599 C VAL A 43 3.056 -0.235 -0.691 1.00 0.00 C ATOM 600 O VAL A 43 2.135 -0.534 -1.451 1.00 0.00 O ATOM 601 CB VAL A 43 2.152 2.058 -0.298 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.393 1.639 0.951 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.484 3.542 -0.259 1.00 0.00 C ATOM 0 H VAL A 43 3.770 1.896 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 43 4.026 1.298 0.458 1.00 0.00 H new ATOM 0 HB VAL A 43 1.511 1.875 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.489 2.240 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.122 0.586 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.023 1.790 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.565 4.118 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.144 3.745 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.981 3.828 -1.186 1.00 0.00 H new ATOM 613 N LYS A 44 3.771 -1.141 -0.032 1.00 0.00 N ATOM 614 CA LYS A 44 3.508 -2.569 -0.166 1.00 0.00 C ATOM 615 C LYS A 44 2.317 -2.986 0.692 1.00 0.00 C ATOM 616 O LYS A 44 2.408 -3.029 1.919 1.00 0.00 O ATOM 617 CB LYS A 44 4.746 -3.376 0.234 1.00 0.00 C ATOM 618 CG LYS A 44 4.489 -4.869 0.342 1.00 0.00 C ATOM 619 CD LYS A 44 5.463 -5.534 1.300 1.00 0.00 C ATOM 620 CE LYS A 44 5.365 -7.051 1.230 1.00 0.00 C ATOM 621 NZ LYS A 44 6.600 -7.710 1.738 1.00 0.00 N ATOM 0 H LYS A 44 4.537 -0.911 0.601 1.00 0.00 H new ATOM 0 HA LYS A 44 3.270 -2.773 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.534 -3.203 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.115 -3.009 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.468 -5.040 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.577 -5.327 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.480 -5.223 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.258 -5.202 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.508 -7.387 1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.188 -7.356 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.494 -8.743 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.415 -7.409 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.755 -7.439 2.730 1.00 0.00 H new ATOM 635 N VAL A 45 1.202 -3.294 0.037 1.00 0.00 N ATOM 636 CA VAL A 45 -0.006 -3.710 0.740 1.00 0.00 C ATOM 637 C VAL A 45 -0.279 -5.195 0.531 1.00 0.00 C ATOM 638 O VAL A 45 -0.138 -5.715 -0.576 1.00 0.00 O ATOM 639 CB VAL A 45 -1.233 -2.904 0.273 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.195 -2.699 -1.234 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.518 -3.600 0.693 1.00 0.00 C ATOM 0 H VAL A 45 1.110 -3.263 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 45 0.163 -3.520 1.800 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.206 -1.924 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.069 -2.128 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.290 -2.154 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.198 -3.668 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.375 -3.017 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.556 -4.594 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.545 -3.689 1.779 1.00 0.00 H new ATOM 651 N THR A 46 -0.671 -5.876 1.604 1.00 0.00 N ATOM 652 CA THR A 46 -0.963 -7.302 1.540 1.00 0.00 C ATOM 653 C THR A 46 -2.461 -7.562 1.647 1.00 0.00 C ATOM 654 O THR A 46 -2.987 -8.483 1.022 1.00 0.00 O ATOM 655 CB THR A 46 -0.238 -8.075 2.658 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.640 -7.576 3.939 1.00 0.00 O ATOM 657 CG2 THR A 46 1.271 -7.951 2.511 1.00 0.00 C ATOM 0 H THR A 46 -0.793 -5.462 2.528 1.00 0.00 H new ATOM 0 HA THR A 46 -0.604 -7.655 0.573 1.00 0.00 H new ATOM 0 HB THR A 46 -0.510 -9.127 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.176 -8.074 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.761 -8.505 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.577 -8.358 1.547 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.557 -6.901 2.568 1.00 0.00 H new ATOM 665 N ARG A 47 -3.143 -6.744 2.442 1.00 0.00 N ATOM 666 CA ARG A 47 -4.582 -6.887 2.631 1.00 0.00 C ATOM 667 C ARG A 47 -5.319 -5.638 2.156 1.00 0.00 C ATOM 668 O ARG A 47 -4.973 -4.519 2.535 1.00 0.00 O ATOM 669 CB ARG A 47 -4.901 -7.151 4.103 1.00 0.00 C ATOM 670 CG ARG A 47 -4.824 -8.619 4.489 1.00 0.00 C ATOM 671 CD ARG A 47 -5.996 -9.406 3.925 1.00 0.00 C ATOM 672 NE ARG A 47 -7.166 -9.345 4.796 1.00 0.00 N ATOM 673 CZ ARG A 47 -8.300 -9.994 4.551 1.00 0.00 C ATOM 674 NH1 ARG A 47 -8.415 -10.748 3.467 1.00 0.00 N ATOM 675 NH2 ARG A 47 -9.321 -9.889 5.392 1.00 0.00 N ATOM 0 H ARG A 47 -2.723 -5.976 2.965 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.919 -7.736 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.207 -6.584 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.902 -6.779 4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.889 -9.044 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.812 -8.711 5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.256 -9.015 2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.701 -10.446 3.787 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.110 -8.773 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.632 -10.831 2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.286 -11.245 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.236 -9.310 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.191 -10.387 5.203 1.00 0.00 H new ATOM 689 N MET A 48 -6.336 -5.837 1.324 1.00 0.00 N ATOM 690 CA MET A 48 -7.121 -4.727 0.798 1.00 0.00 C ATOM 691 C MET A 48 -8.581 -4.844 1.224 1.00 0.00 C ATOM 692 O MET A 48 -9.347 -5.613 0.644 1.00 0.00 O ATOM 693 CB MET A 48 -7.025 -4.684 -0.729 1.00 0.00 C ATOM 694 CG MET A 48 -5.836 -3.887 -1.240 1.00 0.00 C ATOM 695 SD MET A 48 -5.469 -4.224 -2.973 1.00 0.00 S ATOM 696 CE MET A 48 -4.701 -2.682 -3.462 1.00 0.00 C ATOM 0 H MET A 48 -6.636 -6.757 1.000 1.00 0.00 H new ATOM 0 HA MET A 48 -6.714 -3.802 1.206 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.960 -5.703 -1.110 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.942 -4.252 -1.131 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.036 -2.823 -1.115 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.960 -4.120 -0.635 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.154 -2.827 -4.393 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.470 -1.923 -3.608 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.012 -2.356 -2.683 1.00 0.00 H new ATOM 706 N ASN A 49 -8.960 -4.077 2.241 1.00 0.00 N ATOM 707 CA ASN A 49 -10.328 -4.097 2.745 1.00 0.00 C ATOM 708 C ASN A 49 -11.308 -3.620 1.677 1.00 0.00 C ATOM 709 O ASN A 49 -10.958 -2.812 0.816 1.00 0.00 O ATOM 710 CB ASN A 49 -10.447 -3.217 3.992 1.00 0.00 C ATOM 711 CG ASN A 49 -9.485 -3.634 5.087 1.00 0.00 C ATOM 712 OD1 ASN A 49 -9.294 -4.823 5.342 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.873 -2.653 5.741 1.00 0.00 N ATOM 0 H ASN A 49 -8.339 -3.434 2.732 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.577 -5.125 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.256 -2.179 3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.468 -3.265 4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.214 -2.872 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.062 -1.681 5.496 1.00 0.00 H new ATOM 720 N ILE A 50 -12.536 -4.124 1.741 1.00 0.00 N ATOM 721 CA ILE A 50 -13.566 -3.748 0.781 1.00 0.00 C ATOM 722 C ILE A 50 -13.951 -2.280 0.935 1.00 0.00 C ATOM 723 O ILE A 50 -14.141 -1.571 -0.053 1.00 0.00 O ATOM 724 CB ILE A 50 -14.827 -4.617 0.940 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.479 -6.097 0.762 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.892 -4.194 -0.061 1.00 0.00 C ATOM 727 CD1 ILE A 50 -15.546 -7.035 1.282 1.00 0.00 C ATOM 0 H ILE A 50 -12.841 -4.793 2.447 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.146 -3.909 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.224 -4.474 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.314 -6.298 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.541 -6.306 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.777 -4.818 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.157 -3.150 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.506 -4.311 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.232 -8.067 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.695 -6.861 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -16.480 -6.854 0.751 1.00 0.00 H new ATOM 739 N ASN A 51 -14.064 -1.831 2.180 1.00 0.00 N ATOM 740 CA ASN A 51 -14.426 -0.447 2.464 1.00 0.00 C ATOM 741 C ASN A 51 -13.615 0.515 1.600 1.00 0.00 C ATOM 742 O ASN A 51 -14.172 1.372 0.916 1.00 0.00 O ATOM 743 CB ASN A 51 -14.202 -0.132 3.944 1.00 0.00 C ATOM 744 CG ASN A 51 -13.903 1.335 4.185 1.00 0.00 C ATOM 745 OD1 ASN A 51 -14.728 2.203 3.900 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.718 1.618 4.712 1.00 0.00 N ATOM 0 H ASN A 51 -13.910 -2.405 3.009 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.482 -0.318 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.088 -0.417 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -13.375 -0.735 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.460 2.588 4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.065 0.866 4.933 1.00 0.00 H new ATOM 753 N GLY A 52 -12.294 0.365 1.637 1.00 0.00 N ATOM 754 CA GLY A 52 -11.428 1.226 0.853 1.00 0.00 C ATOM 755 C GLY A 52 -10.029 1.322 1.431 1.00 0.00 C ATOM 756 O GLY A 52 -9.043 1.264 0.697 1.00 0.00 O ATOM 0 H GLY A 52 -11.809 -0.337 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.371 0.847 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.865 2.223 0.799 1.00 0.00 H new ATOM 760 N GLN A 53 -9.944 1.470 2.749 1.00 0.00 N ATOM 761 CA GLN A 53 -8.656 1.576 3.424 1.00 0.00 C ATOM 762 C GLN A 53 -7.945 0.227 3.456 1.00 0.00 C ATOM 763 O GLN A 53 -8.513 -0.774 3.894 1.00 0.00 O ATOM 764 CB GLN A 53 -8.844 2.101 4.848 1.00 0.00 C ATOM 765 CG GLN A 53 -8.793 3.617 4.950 1.00 0.00 C ATOM 766 CD GLN A 53 -9.548 4.147 6.153 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.077 3.379 6.956 1.00 0.00 O ATOM 768 NE2 GLN A 53 -9.603 5.468 6.283 1.00 0.00 N ATOM 0 H GLN A 53 -10.751 1.519 3.370 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.038 2.278 2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.803 1.752 5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.071 1.676 5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.753 3.939 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.211 4.053 4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.150 6.068 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.098 5.883 7.072 1.00 0.00 H new ATOM 777 N TRP A 54 -6.702 0.208 2.990 1.00 0.00 N ATOM 778 CA TRP A 54 -5.914 -1.019 2.965 1.00 0.00 C ATOM 779 C TRP A 54 -4.767 -0.950 3.968 1.00 0.00 C ATOM 780 O TRP A 54 -4.405 0.129 4.435 1.00 0.00 O ATOM 781 CB TRP A 54 -5.364 -1.268 1.560 1.00 0.00 C ATOM 782 CG TRP A 54 -6.333 -0.915 0.472 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.681 -1.133 0.472 1.00 0.00 C ATOM 784 CD2 TRP A 54 -6.027 -0.283 -0.776 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.232 -0.675 -0.701 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.238 -0.148 -1.483 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.849 0.184 -1.365 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.302 0.432 -2.747 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.913 0.759 -2.619 1.00 0.00 C ATOM 790 CH2 TRP A 54 -6.133 0.880 -3.299 1.00 0.00 C ATOM 0 H TRP A 54 -6.218 1.028 2.624 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.567 -1.846 3.244 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.451 -0.687 1.427 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.090 -2.319 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.233 -1.597 1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.220 -0.720 -0.949 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.905 0.097 -0.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.241 0.525 -3.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.008 1.122 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.150 1.336 -4.278 1.00 0.00 H new ATOM 801 N GLU A 55 -4.201 -2.108 4.294 1.00 0.00 N ATOM 802 CA GLU A 55 -3.096 -2.176 5.243 1.00 0.00 C ATOM 803 C GLU A 55 -1.773 -2.410 4.520 1.00 0.00 C ATOM 804 O GLU A 55 -1.575 -3.444 3.882 1.00 0.00 O ATOM 805 CB GLU A 55 -3.338 -3.292 6.261 1.00 0.00 C ATOM 806 CG GLU A 55 -2.694 -3.032 7.613 1.00 0.00 C ATOM 807 CD GLU A 55 -2.908 -4.173 8.590 1.00 0.00 C ATOM 808 OE1 GLU A 55 -4.072 -4.582 8.779 1.00 0.00 O ATOM 809 OE2 GLU A 55 -1.909 -4.655 9.164 1.00 0.00 O ATOM 0 H GLU A 55 -4.489 -3.010 3.916 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.040 -1.222 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.412 -3.421 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.953 -4.229 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.625 -2.871 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.103 -2.115 8.036 1.00 0.00 H new ATOM 816 N GLY A 56 -0.868 -1.441 4.624 1.00 0.00 N ATOM 817 CA GLY A 56 0.424 -1.560 3.976 1.00 0.00 C ATOM 818 C GLY A 56 1.567 -1.136 4.878 1.00 0.00 C ATOM 819 O GLY A 56 1.402 -0.263 5.729 1.00 0.00 O ATOM 0 H GLY A 56 -1.007 -0.576 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.576 -2.593 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.432 -0.949 3.073 1.00 0.00 H new ATOM 823 N GLU A 57 2.727 -1.758 4.693 1.00 0.00 N ATOM 824 CA GLU A 57 3.900 -1.442 5.499 1.00 0.00 C ATOM 825 C GLU A 57 4.886 -0.585 4.712 1.00 0.00 C ATOM 826 O GLU A 57 5.269 -0.928 3.593 1.00 0.00 O ATOM 827 CB GLU A 57 4.585 -2.727 5.969 1.00 0.00 C ATOM 828 CG GLU A 57 5.645 -2.498 7.033 1.00 0.00 C ATOM 829 CD GLU A 57 7.020 -2.251 6.444 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.675 -3.231 6.033 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.440 -1.076 6.393 1.00 0.00 O ATOM 0 H GLU A 57 2.879 -2.483 3.992 1.00 0.00 H new ATOM 0 HA GLU A 57 3.569 -0.876 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.830 -3.409 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.044 -3.219 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.359 -1.645 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.687 -3.366 7.692 1.00 0.00 H new ATOM 838 N VAL A 58 5.294 0.533 5.305 1.00 0.00 N ATOM 839 CA VAL A 58 6.236 1.440 4.660 1.00 0.00 C ATOM 840 C VAL A 58 7.131 2.124 5.688 1.00 0.00 C ATOM 841 O VAL A 58 6.651 2.660 6.685 1.00 0.00 O ATOM 842 CB VAL A 58 5.505 2.516 3.836 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.493 3.539 3.296 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.717 1.875 2.704 1.00 0.00 C ATOM 0 H VAL A 58 4.987 0.832 6.231 1.00 0.00 H new ATOM 0 HA VAL A 58 6.850 0.836 3.992 1.00 0.00 H new ATOM 0 HB VAL A 58 4.803 3.034 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.958 4.291 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.009 4.020 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.221 3.039 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.207 2.650 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.398 1.330 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.981 1.185 3.118 1.00 0.00 H new ATOM 854 N ASN A 59 8.436 2.101 5.436 1.00 0.00 N ATOM 855 CA ASN A 59 9.399 2.719 6.340 1.00 0.00 C ATOM 856 C ASN A 59 9.170 2.261 7.777 1.00 0.00 C ATOM 857 O ASN A 59 9.343 3.031 8.720 1.00 0.00 O ATOM 858 CB ASN A 59 9.302 4.244 6.258 1.00 0.00 C ATOM 859 CG ASN A 59 9.421 4.755 4.835 1.00 0.00 C ATOM 860 OD1 ASN A 59 10.387 4.454 4.134 1.00 0.00 O ATOM 861 ND2 ASN A 59 8.436 5.533 4.402 1.00 0.00 N ATOM 0 H ASN A 59 8.850 1.661 4.614 1.00 0.00 H new ATOM 0 HA ASN A 59 10.398 2.408 6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.350 4.568 6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.088 4.689 6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.461 5.907 3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.654 5.757 5.018 1.00 0.00 H new ATOM 868 N GLY A 60 8.779 1.000 7.934 1.00 0.00 N ATOM 869 CA GLY A 60 8.532 0.460 9.258 1.00 0.00 C ATOM 870 C GLY A 60 7.254 0.995 9.874 1.00 0.00 C ATOM 871 O GLY A 60 7.092 0.981 11.094 1.00 0.00 O ATOM 0 H GLY A 60 8.629 0.343 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.476 -0.627 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.373 0.701 9.908 1.00 0.00 H new ATOM 875 N ARG A 61 6.345 1.469 9.028 1.00 0.00 N ATOM 876 CA ARG A 61 5.076 2.014 9.496 1.00 0.00 C ATOM 877 C ARG A 61 3.904 1.366 8.766 1.00 0.00 C ATOM 878 O ARG A 61 3.821 1.410 7.539 1.00 0.00 O ATOM 879 CB ARG A 61 5.042 3.529 9.294 1.00 0.00 C ATOM 880 CG ARG A 61 5.946 4.292 10.249 1.00 0.00 C ATOM 881 CD ARG A 61 5.301 4.453 11.617 1.00 0.00 C ATOM 882 NE ARG A 61 6.237 4.983 12.605 1.00 0.00 N ATOM 883 CZ ARG A 61 6.663 6.241 12.612 1.00 0.00 C ATOM 884 NH1 ARG A 61 6.238 7.094 11.691 1.00 0.00 N ATOM 885 NH2 ARG A 61 7.515 6.649 13.544 1.00 0.00 N ATOM 0 H ARG A 61 6.464 1.487 8.015 1.00 0.00 H new ATOM 0 HA ARG A 61 4.985 1.794 10.560 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.335 3.757 8.269 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.018 3.881 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.895 3.766 10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.170 5.274 9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.443 5.120 11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.924 3.488 11.956 1.00 0.00 H new ATOM 0 HE ARG A 61 6.582 4.353 13.329 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.582 6.785 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.567 8.059 11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.843 5.996 14.256 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.842 7.615 13.549 1.00 0.00 H new ATOM 899 N LYS A 62 2.998 0.763 9.530 1.00 0.00 N ATOM 900 CA LYS A 62 1.829 0.106 8.957 1.00 0.00 C ATOM 901 C LYS A 62 0.549 0.842 9.340 1.00 0.00 C ATOM 902 O LYS A 62 0.167 0.875 10.509 1.00 0.00 O ATOM 903 CB LYS A 62 1.754 -1.348 9.428 1.00 0.00 C ATOM 904 CG LYS A 62 2.987 -2.165 9.079 1.00 0.00 C ATOM 905 CD LYS A 62 3.210 -3.290 10.076 1.00 0.00 C ATOM 906 CE LYS A 62 2.426 -4.536 9.694 1.00 0.00 C ATOM 907 NZ LYS A 62 1.033 -4.497 10.221 1.00 0.00 N ATOM 0 H LYS A 62 3.051 0.716 10.548 1.00 0.00 H new ATOM 0 HA LYS A 62 1.928 0.126 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.612 -1.364 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.878 -1.820 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.877 -2.581 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.862 -1.515 9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.272 -3.528 10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.910 -2.961 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.401 -4.631 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.936 -5.419 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.899 -5.268 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.864 -3.584 10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.361 -4.612 9.435 1.00 0.00 H new ATOM 921 N GLY A 63 -0.109 1.431 8.347 1.00 0.00 N ATOM 922 CA GLY A 63 -1.340 2.157 8.600 1.00 0.00 C ATOM 923 C GLY A 63 -2.262 2.173 7.397 1.00 0.00 C ATOM 924 O GLY A 63 -1.875 1.761 6.303 1.00 0.00 O ATOM 0 H GLY A 63 0.188 1.419 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.858 1.704 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.102 3.182 8.885 1.00 0.00 H new ATOM 928 N LEU A 64 -3.486 2.649 7.599 1.00 0.00 N ATOM 929 CA LEU A 64 -4.468 2.715 6.522 1.00 0.00 C ATOM 930 C LEU A 64 -4.292 3.990 5.703 1.00 0.00 C ATOM 931 O LEU A 64 -4.282 5.094 6.248 1.00 0.00 O ATOM 932 CB LEU A 64 -5.886 2.654 7.093 1.00 0.00 C ATOM 933 CG LEU A 64 -6.260 1.363 7.823 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.692 1.433 8.329 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.073 0.161 6.909 1.00 0.00 C ATOM 0 H LEU A 64 -3.822 2.995 8.498 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.310 1.859 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.015 3.488 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.592 2.804 6.276 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.598 1.248 8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.941 0.506 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.794 2.271 9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.369 1.572 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.344 -0.749 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.710 0.269 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.031 0.101 6.595 1.00 0.00 H new ATOM 947 N PHE A 65 -4.156 3.830 4.391 1.00 0.00 N ATOM 948 CA PHE A 65 -3.982 4.969 3.496 1.00 0.00 C ATOM 949 C PHE A 65 -5.074 4.994 2.430 1.00 0.00 C ATOM 950 O PHE A 65 -5.534 3.957 1.951 1.00 0.00 O ATOM 951 CB PHE A 65 -2.605 4.916 2.831 1.00 0.00 C ATOM 952 CG PHE A 65 -2.346 3.635 2.091 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.911 2.506 2.765 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.536 3.561 0.720 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.671 1.325 2.087 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.299 2.383 0.037 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.865 1.264 0.721 1.00 0.00 C ATOM 0 H PHE A 65 -4.163 2.923 3.924 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.056 5.881 4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.513 5.752 2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.837 5.048 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.757 2.549 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.873 4.433 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.332 0.452 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.453 2.337 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.678 0.343 0.189 1.00 0.00 H new ATOM 967 N PRO A 66 -5.499 6.207 2.048 1.00 0.00 N ATOM 968 CA PRO A 66 -6.542 6.399 1.035 1.00 0.00 C ATOM 969 C PRO A 66 -6.068 6.017 -0.363 1.00 0.00 C ATOM 970 O PRO A 66 -5.082 6.558 -0.864 1.00 0.00 O ATOM 971 CB PRO A 66 -6.838 7.898 1.109 1.00 0.00 C ATOM 972 CG PRO A 66 -5.586 8.506 1.641 1.00 0.00 C ATOM 973 CD PRO A 66 -4.996 7.486 2.576 1.00 0.00 C ATOM 0 HA PRO A 66 -7.413 5.770 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.088 8.301 0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.686 8.102 1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.893 8.742 0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.797 9.439 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.907 7.521 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.318 7.650 3.604 1.00 0.00 H new ATOM 981 N PHE A 67 -6.776 5.083 -0.989 1.00 0.00 N ATOM 982 CA PHE A 67 -6.427 4.630 -2.330 1.00 0.00 C ATOM 983 C PHE A 67 -6.490 5.782 -3.328 1.00 0.00 C ATOM 984 O PHE A 67 -6.056 5.652 -4.473 1.00 0.00 O ATOM 985 CB PHE A 67 -7.367 3.506 -2.772 1.00 0.00 C ATOM 986 CG PHE A 67 -8.775 3.965 -3.019 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.686 4.042 -1.977 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.189 4.319 -4.293 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.983 4.465 -2.201 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.485 4.742 -4.523 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.383 4.814 -3.476 1.00 0.00 C ATOM 0 H PHE A 67 -7.595 4.625 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.405 4.251 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.976 3.053 -3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.375 2.729 -2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.379 3.768 -0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.491 4.264 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.682 4.522 -1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.795 5.016 -5.521 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.396 5.143 -3.654 1.00 0.00 H new ATOM 1001 N THR A 68 -7.033 6.912 -2.885 1.00 0.00 N ATOM 1002 CA THR A 68 -7.155 8.087 -3.737 1.00 0.00 C ATOM 1003 C THR A 68 -5.876 8.916 -3.717 1.00 0.00 C ATOM 1004 O THR A 68 -5.699 9.822 -4.532 1.00 0.00 O ATOM 1005 CB THR A 68 -8.337 8.976 -3.304 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.260 9.242 -1.899 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.664 8.306 -3.626 1.00 0.00 C ATOM 0 H THR A 68 -7.395 7.037 -1.940 1.00 0.00 H new ATOM 0 HA THR A 68 -7.334 7.725 -4.749 1.00 0.00 H new ATOM 0 HB THR A 68 -8.279 9.915 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.013 9.809 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.484 8.952 -3.311 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.732 8.130 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.729 7.355 -3.098 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.987 8.601 -2.781 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.722 9.317 -2.655 1.00 0.00 C ATOM 1017 C HIS A 69 -2.606 8.580 -3.389 1.00 0.00 C ATOM 1018 O HIS A 69 -1.575 9.166 -3.721 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.353 9.489 -1.182 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.109 10.587 -0.499 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.389 10.955 -0.856 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -3.758 11.398 0.526 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -5.792 11.946 -0.082 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -4.822 12.234 0.766 1.00 0.00 N ATOM 0 H HIS A 69 -5.119 7.855 -2.098 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.843 10.301 -3.108 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.538 8.551 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.285 9.692 -1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.817 11.390 1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.752 12.438 -0.134 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.857 12.959 1.483 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.818 7.292 -3.639 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.830 6.475 -4.333 1.00 0.00 C ATOM 1035 C VAL A 70 -2.388 5.933 -5.644 1.00 0.00 C ATOM 1036 O VAL A 70 -3.600 5.935 -5.864 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.363 5.295 -3.460 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.853 5.794 -2.117 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.492 4.293 -3.272 1.00 0.00 C ATOM 0 H VAL A 70 -3.666 6.792 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.978 7.121 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.541 4.791 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.527 4.947 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.013 6.471 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.652 6.323 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.145 3.466 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.335 4.782 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.806 3.912 -4.244 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.497 5.468 -6.513 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.900 4.920 -7.803 1.00 0.00 C ATOM 1051 C LYS A 71 -1.333 3.518 -7.999 1.00 0.00 C ATOM 1052 O LYS A 71 -0.145 3.281 -7.777 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.430 5.835 -8.938 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.104 5.547 -10.268 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.290 6.088 -11.433 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.486 7.587 -11.601 1.00 0.00 C ATOM 1057 NZ LYS A 71 -0.852 8.092 -12.851 1.00 0.00 N ATOM 0 H LYS A 71 -0.491 5.460 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.988 4.859 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.620 6.872 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.352 5.729 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.238 4.471 -10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.098 5.995 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.234 5.874 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.581 5.577 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.552 7.815 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.062 8.107 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.007 9.117 -12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.169 7.898 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.275 7.614 -13.672 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.190 2.592 -8.417 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.773 1.214 -8.646 1.00 0.00 C ATOM 1073 C ILE A 72 -1.057 1.071 -9.984 1.00 0.00 C ATOM 1074 O ILE A 72 -1.556 1.516 -11.018 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.974 0.250 -8.613 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.754 0.416 -7.307 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.504 -1.188 -8.776 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -3.187 -0.388 -6.158 1.00 0.00 C ATOM 0 H ILE A 72 -3.177 2.771 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.086 0.954 -7.840 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.637 0.491 -9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.765 1.471 -7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.790 0.119 -7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.364 -1.857 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.988 -1.296 -9.730 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.822 -1.442 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.790 -0.222 -5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.201 -1.448 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.161 -0.075 -5.966 1.00 0.00 H new ATOM 1090 N PHE A 73 0.114 0.444 -9.958 1.00 0.00 N ATOM 1091 CA PHE A 73 0.900 0.240 -11.170 1.00 0.00 C ATOM 1092 C PHE A 73 1.546 -1.142 -11.173 1.00 0.00 C ATOM 1093 O PHE A 73 1.583 -1.824 -10.149 1.00 0.00 O ATOM 1094 CB PHE A 73 1.977 1.320 -11.292 1.00 0.00 C ATOM 1095 CG PHE A 73 3.227 1.009 -10.520 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.304 1.277 -9.163 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.326 0.449 -11.151 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.453 0.992 -8.449 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.477 0.162 -10.443 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.541 0.435 -9.090 1.00 0.00 C ATOM 0 H PHE A 73 0.540 0.068 -9.111 1.00 0.00 H new ATOM 0 HA PHE A 73 0.228 0.309 -12.025 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.232 1.451 -12.344 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.570 2.269 -10.942 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.456 1.714 -8.657 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.282 0.234 -12.209 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.499 1.205 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.326 -0.275 -10.947 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.441 0.213 -8.535 1.00 0.00 H new ATOM 1110 N ASP A 74 2.053 -1.548 -12.332 1.00 0.00 N ATOM 1111 CA ASP A 74 2.698 -2.849 -12.470 1.00 0.00 C ATOM 1112 C ASP A 74 4.217 -2.708 -12.436 1.00 0.00 C ATOM 1113 O ASP A 74 4.790 -1.764 -12.980 1.00 0.00 O ATOM 1114 CB ASP A 74 2.265 -3.521 -13.774 1.00 0.00 C ATOM 1115 CG ASP A 74 2.117 -2.532 -14.914 1.00 0.00 C ATOM 1116 OD1 ASP A 74 2.806 -1.491 -14.889 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.312 -2.799 -15.831 1.00 0.00 O ATOM 0 H ASP A 74 2.030 -0.995 -13.189 1.00 0.00 H new ATOM 0 HA ASP A 74 2.389 -3.471 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.997 -4.280 -14.048 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.317 -4.035 -13.617 1.00 0.00 H new