USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 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 132 ASN : amide:sc= -2.98 K(o=-3,f=-19!) USER MOD Set 1.2: A 134 SER OG : rot -150:sc= -0.0158 USER MOD Set 2.1: A 26 THR OG1 : rot 104:sc= 1.09 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -2.94! C(o=-1.9!,f=-9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.486 F(o=-1.6,f=-0.49) USER MOD Single : A 66 CYS SG : rot -167:sc= 0.107 USER MOD Single : A 72 THR OG1 : rot 123:sc= 0.333 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.576 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 83 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 87 MET CE :methyl -161:sc= -7.36! (180deg=-10.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 110:sc= -3.28! USER MOD Single : A 97 ASN : amide:sc=-0.00978 X(o=-0.0098,f=-0.077) USER MOD Single : A 98 SER OG : rot 160:sc= -0.71 USER MOD Single : A 102 MET CE :methyl -172:sc= -5.49! (180deg=-5.87!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 114:sc= -1.38! USER MOD Single : A 107 MET CE :methyl -121:sc= -0.409 (180deg=-1.62) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.909! USER MOD Single : A 124 SER OG : rot 93:sc= -0.29 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.244 F(o=-0.91,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.340 -0.216 -5.683 1.00 0.00 N ATOM 206 CA PHE A 16 14.919 -0.143 -5.393 1.00 0.00 C ATOM 207 C PHE A 16 14.315 1.154 -5.935 1.00 0.00 C ATOM 208 O PHE A 16 15.009 2.162 -6.060 1.00 0.00 O ATOM 209 CB PHE A 16 14.772 -0.162 -3.870 1.00 0.00 C ATOM 210 CG PHE A 16 15.124 -1.506 -3.228 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.426 -1.873 -3.091 1.00 0.00 C ATOM 212 CD2 PHE A 16 14.135 -2.333 -2.795 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.753 -3.120 -2.495 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.462 -3.579 -2.199 1.00 0.00 C ATOM 215 CZ PHE A 16 15.764 -3.947 -2.061 1.00 0.00 C ATOM 0 HA PHE A 16 14.400 -0.978 -5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.411 0.611 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.745 0.095 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 16 17.211 -1.216 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 16 13.101 -2.042 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.787 -3.412 -2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.676 -4.235 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 16 16.012 -4.895 -1.607 1.00 0.00 H new ATOM 225 N VAL A 17 13.028 1.087 -6.242 1.00 0.00 N ATOM 226 CA VAL A 17 12.322 2.243 -6.768 1.00 0.00 C ATOM 227 C VAL A 17 11.634 2.981 -5.618 1.00 0.00 C ATOM 228 O VAL A 17 11.757 2.587 -4.460 1.00 0.00 O ATOM 229 CB VAL A 17 11.350 1.808 -7.866 1.00 0.00 C ATOM 230 CG1 VAL A 17 10.142 1.080 -7.273 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.908 3.004 -8.712 1.00 0.00 C ATOM 0 H VAL A 17 12.455 0.250 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 17 13.021 2.940 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 17 11.874 1.110 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.467 0.782 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.479 0.194 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.618 1.745 -6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.217 2.667 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.411 3.736 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.780 3.462 -9.179 1.00 0.00 H new ATOM 241 N LYS A 18 10.923 4.040 -5.978 1.00 0.00 N ATOM 242 CA LYS A 18 10.215 4.837 -4.991 1.00 0.00 C ATOM 243 C LYS A 18 8.743 4.951 -5.395 1.00 0.00 C ATOM 244 O LYS A 18 8.366 4.559 -6.498 1.00 0.00 O ATOM 245 CB LYS A 18 10.906 6.188 -4.798 1.00 0.00 C ATOM 246 CG LYS A 18 12.296 6.010 -4.184 1.00 0.00 C ATOM 247 CD LYS A 18 12.300 6.415 -2.709 1.00 0.00 C ATOM 248 CE LYS A 18 13.586 7.161 -2.348 1.00 0.00 C ATOM 249 NZ LYS A 18 14.572 6.235 -1.750 1.00 0.00 N ATOM 0 H LYS A 18 10.822 4.364 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 18 10.242 4.349 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.991 6.697 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.298 6.823 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.609 4.970 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.020 6.613 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.438 7.048 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.203 5.527 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.008 7.624 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.362 7.965 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.439 6.758 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.173 5.813 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.798 5.482 -2.431 1.00 0.00 H new ATOM 263 N VAL A 19 7.951 5.489 -4.479 1.00 0.00 N ATOM 264 CA VAL A 19 6.530 5.659 -4.725 1.00 0.00 C ATOM 265 C VAL A 19 6.322 6.810 -5.712 1.00 0.00 C ATOM 266 O VAL A 19 5.464 6.732 -6.590 1.00 0.00 O ATOM 267 CB VAL A 19 5.790 5.866 -3.402 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.297 6.099 -3.639 1.00 0.00 C ATOM 269 CG2 VAL A 19 6.018 4.685 -2.456 1.00 0.00 C ATOM 0 H VAL A 19 8.267 5.813 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 19 6.111 4.761 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 19 6.196 6.759 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.795 6.243 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.161 6.986 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.870 5.234 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.481 4.857 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.652 3.770 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.083 4.585 -2.249 1.00 0.00 H new ATOM 279 N GLU A 20 7.122 7.851 -5.535 1.00 0.00 N ATOM 280 CA GLU A 20 7.037 9.016 -6.399 1.00 0.00 C ATOM 281 C GLU A 20 7.554 8.678 -7.799 1.00 0.00 C ATOM 282 O GLU A 20 7.482 9.504 -8.707 1.00 0.00 O ATOM 283 CB GLU A 20 7.802 10.199 -5.802 1.00 0.00 C ATOM 284 CG GLU A 20 9.312 9.963 -5.867 1.00 0.00 C ATOM 285 CD GLU A 20 10.073 11.290 -5.915 1.00 0.00 C ATOM 286 OE1 GLU A 20 10.128 11.873 -7.019 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.582 11.691 -4.846 1.00 0.00 O ATOM 0 H GLU A 20 7.832 7.912 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 20 5.990 9.308 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.549 11.111 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.498 10.348 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.631 9.388 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.553 9.369 -6.749 1.00 0.00 H new ATOM 294 N GLN A 21 8.064 7.462 -7.929 1.00 0.00 N ATOM 295 CA GLN A 21 8.593 7.005 -9.202 1.00 0.00 C ATOM 296 C GLN A 21 7.542 6.182 -9.949 1.00 0.00 C ATOM 297 O GLN A 21 7.736 5.827 -11.111 1.00 0.00 O ATOM 298 CB GLN A 21 9.880 6.201 -9.004 1.00 0.00 C ATOM 299 CG GLN A 21 11.107 7.114 -9.036 1.00 0.00 C ATOM 300 CD GLN A 21 12.327 6.374 -9.590 1.00 0.00 C ATOM 301 OE1 GLN A 21 12.236 5.574 -10.507 1.00 0.00 O ATOM 302 NE2 GLN A 21 13.469 6.685 -8.984 1.00 0.00 N ATOM 0 H GLN A 21 8.122 6.779 -7.173 1.00 0.00 H new ATOM 0 HA GLN A 21 8.838 7.879 -9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.840 5.673 -8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.964 5.445 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.898 7.989 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.322 7.475 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.474 7.364 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.340 6.245 -9.281 1.00 0.00 H new ATOM 311 N LEU A 22 6.451 5.901 -9.251 1.00 0.00 N ATOM 312 CA LEU A 22 5.369 5.126 -9.834 1.00 0.00 C ATOM 313 C LEU A 22 4.660 5.968 -10.897 1.00 0.00 C ATOM 314 O LEU A 22 4.464 7.168 -10.715 1.00 0.00 O ATOM 315 CB LEU A 22 4.435 4.604 -8.741 1.00 0.00 C ATOM 316 CG LEU A 22 5.094 3.775 -7.636 1.00 0.00 C ATOM 317 CD1 LEU A 22 4.063 3.328 -6.597 1.00 0.00 C ATOM 318 CD2 LEU A 22 5.865 2.592 -8.223 1.00 0.00 C ATOM 0 H LEU A 22 6.293 6.196 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 22 5.761 4.242 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.935 5.456 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.661 3.997 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 22 5.818 4.407 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.557 2.741 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.598 4.204 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.299 2.720 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.323 2.020 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.180 1.951 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.642 2.960 -8.893 1.00 0.00 H new ATOM 330 N LYS A 23 4.296 5.304 -11.985 1.00 0.00 N ATOM 331 CA LYS A 23 3.613 5.976 -13.078 1.00 0.00 C ATOM 332 C LYS A 23 2.479 5.085 -13.589 1.00 0.00 C ATOM 333 O LYS A 23 2.479 3.878 -13.354 1.00 0.00 O ATOM 334 CB LYS A 23 4.611 6.384 -14.163 1.00 0.00 C ATOM 335 CG LYS A 23 5.539 7.494 -13.665 1.00 0.00 C ATOM 336 CD LYS A 23 5.130 8.851 -14.241 1.00 0.00 C ATOM 337 CE LYS A 23 6.339 9.589 -14.818 1.00 0.00 C ATOM 338 NZ LYS A 23 5.982 10.252 -16.092 1.00 0.00 N ATOM 0 H LYS A 23 4.461 4.308 -12.133 1.00 0.00 H new ATOM 0 HA LYS A 23 3.158 6.904 -12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.202 5.518 -14.463 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.073 6.725 -15.048 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.512 7.534 -12.576 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.567 7.269 -13.950 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.381 8.708 -15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.668 9.457 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.695 10.330 -14.103 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.156 8.887 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.814 10.748 -16.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.664 9.538 -16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.217 10.936 -15.925 1.00 0.00 H new ATOM 352 N PRO A 24 1.515 5.732 -14.297 1.00 0.00 N ATOM 353 CA PRO A 24 0.377 5.012 -14.844 1.00 0.00 C ATOM 354 C PRO A 24 0.784 4.198 -16.074 1.00 0.00 C ATOM 355 O PRO A 24 0.200 4.352 -17.146 1.00 0.00 O ATOM 356 CB PRO A 24 -0.654 6.084 -15.155 1.00 0.00 C ATOM 357 CG PRO A 24 0.111 7.396 -15.208 1.00 0.00 C ATOM 358 CD PRO A 24 1.482 7.161 -14.596 1.00 0.00 C ATOM 0 HA PRO A 24 -0.030 4.277 -14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.152 5.884 -16.104 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.429 6.114 -14.389 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.207 7.741 -16.238 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.424 8.172 -14.660 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.277 7.439 -15.288 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.621 7.757 -13.694 1.00 0.00 H new ATOM 366 N GLY A 25 1.782 3.349 -15.879 1.00 0.00 N ATOM 367 CA GLY A 25 2.273 2.510 -16.959 1.00 0.00 C ATOM 368 C GLY A 25 3.613 1.871 -16.591 1.00 0.00 C ATOM 369 O GLY A 25 4.624 2.121 -17.246 1.00 0.00 O ATOM 0 H GLY A 25 2.264 3.224 -14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.543 1.731 -17.180 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.387 3.106 -17.864 1.00 0.00 H new ATOM 373 N THR A 26 3.578 1.060 -15.544 1.00 0.00 N ATOM 374 CA THR A 26 4.778 0.383 -15.081 1.00 0.00 C ATOM 375 C THR A 26 4.414 -0.922 -14.370 1.00 0.00 C ATOM 376 O THR A 26 3.365 -1.014 -13.735 1.00 0.00 O ATOM 377 CB THR A 26 5.560 1.358 -14.199 1.00 0.00 C ATOM 378 OG1 THR A 26 4.640 1.708 -13.168 1.00 0.00 O ATOM 379 CG2 THR A 26 5.850 2.684 -14.906 1.00 0.00 C ATOM 0 H THR A 26 2.738 0.856 -15.003 1.00 0.00 H new ATOM 0 HA THR A 26 5.416 0.094 -15.916 1.00 0.00 H new ATOM 0 HB THR A 26 6.499 0.897 -13.893 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.876 1.233 -12.344 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.407 3.339 -14.236 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.440 2.497 -15.803 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.910 3.162 -15.183 1.00 0.00 H new ATOM 387 N THR A 27 5.301 -1.897 -14.501 1.00 0.00 N ATOM 388 CA THR A 27 5.086 -3.192 -13.879 1.00 0.00 C ATOM 389 C THR A 27 6.357 -3.660 -13.168 1.00 0.00 C ATOM 390 O THR A 27 7.426 -3.082 -13.356 1.00 0.00 O ATOM 391 CB THR A 27 4.602 -4.162 -14.959 1.00 0.00 C ATOM 392 OG1 THR A 27 5.512 -3.963 -16.037 1.00 0.00 O ATOM 393 CG2 THR A 27 3.244 -3.761 -15.540 1.00 0.00 C ATOM 0 H THR A 27 6.170 -1.816 -15.029 1.00 0.00 H new ATOM 0 HA THR A 27 4.320 -3.136 -13.105 1.00 0.00 H new ATOM 0 HB THR A 27 4.536 -5.167 -14.541 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.273 -4.555 -16.781 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.947 -4.482 -16.302 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.499 -3.745 -14.745 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.318 -2.770 -15.988 1.00 0.00 H new ATOM 401 N GLY A 28 6.199 -4.703 -12.367 1.00 0.00 N ATOM 402 CA GLY A 28 7.321 -5.256 -11.627 1.00 0.00 C ATOM 403 C GLY A 28 8.183 -4.143 -11.027 1.00 0.00 C ATOM 404 O GLY A 28 9.063 -3.605 -11.697 1.00 0.00 O ATOM 0 H GLY A 28 5.311 -5.180 -12.214 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.953 -5.905 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.928 -5.875 -12.288 1.00 0.00 H new ATOM 408 N HIS A 29 7.900 -3.831 -9.771 1.00 0.00 N ATOM 409 CA HIS A 29 8.639 -2.792 -9.073 1.00 0.00 C ATOM 410 C HIS A 29 9.265 -3.373 -7.804 1.00 0.00 C ATOM 411 O HIS A 29 8.821 -4.406 -7.304 1.00 0.00 O ATOM 412 CB HIS A 29 7.743 -1.584 -8.794 1.00 0.00 C ATOM 413 CG HIS A 29 7.305 -0.844 -10.035 1.00 0.00 C ATOM 414 ND1 HIS A 29 8.076 0.136 -10.636 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.169 -0.952 -10.782 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.423 0.591 -11.695 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.241 -0.085 -11.784 1.00 0.00 N ATOM 0 H HIS A 29 7.169 -4.279 -9.218 1.00 0.00 H new ATOM 0 HA HIS A 29 9.451 -2.430 -9.704 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.859 -1.918 -8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.275 -0.893 -8.140 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.991 0.454 -10.318 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.349 -1.629 -10.590 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.766 1.362 -12.369 1.00 0.00 H new ATOM 425 N THR A 30 10.287 -2.683 -7.318 1.00 0.00 N ATOM 426 CA THR A 30 10.978 -3.117 -6.116 1.00 0.00 C ATOM 427 C THR A 30 11.337 -1.913 -5.243 1.00 0.00 C ATOM 428 O THR A 30 12.268 -1.172 -5.554 1.00 0.00 O ATOM 429 CB THR A 30 12.194 -3.942 -6.542 1.00 0.00 C ATOM 430 OG1 THR A 30 11.659 -4.911 -7.439 1.00 0.00 O ATOM 431 CG2 THR A 30 12.768 -4.775 -5.394 1.00 0.00 C ATOM 0 H THR A 30 10.653 -1.827 -7.735 1.00 0.00 H new ATOM 0 HA THR A 30 10.339 -3.748 -5.498 1.00 0.00 H new ATOM 0 HB THR A 30 12.966 -3.277 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.381 -5.488 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.629 -5.341 -5.750 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.078 -4.114 -4.585 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.007 -5.464 -5.028 1.00 0.00 H new ATOM 439 N LEU A 31 10.579 -1.755 -4.168 1.00 0.00 N ATOM 440 CA LEU A 31 10.805 -0.653 -3.248 1.00 0.00 C ATOM 441 C LEU A 31 10.338 -1.059 -1.848 1.00 0.00 C ATOM 442 O LEU A 31 9.652 -2.067 -1.687 1.00 0.00 O ATOM 443 CB LEU A 31 10.145 0.625 -3.769 1.00 0.00 C ATOM 444 CG LEU A 31 8.616 0.627 -3.798 1.00 0.00 C ATOM 445 CD1 LEU A 31 8.086 1.692 -4.760 1.00 0.00 C ATOM 446 CD2 LEU A 31 8.072 -0.765 -4.128 1.00 0.00 C ATOM 0 H LEU A 31 9.808 -2.372 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 31 11.869 -0.429 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.478 1.460 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.508 0.811 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 31 8.257 0.886 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.996 1.671 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.430 2.675 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.454 1.489 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.982 -0.736 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.440 -1.077 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.406 -1.475 -3.371 1.00 0.00 H new ATOM 458 N THR A 32 10.730 -0.254 -0.872 1.00 0.00 N ATOM 459 CA THR A 32 10.360 -0.516 0.508 1.00 0.00 C ATOM 460 C THR A 32 9.219 0.406 0.940 1.00 0.00 C ATOM 461 O THR A 32 9.422 1.604 1.130 1.00 0.00 O ATOM 462 CB THR A 32 11.616 -0.372 1.370 1.00 0.00 C ATOM 463 OG1 THR A 32 12.647 -0.964 0.583 1.00 0.00 O ATOM 464 CG2 THR A 32 11.565 -1.239 2.630 1.00 0.00 C ATOM 0 H THR A 32 11.300 0.580 -1.010 1.00 0.00 H new ATOM 0 HA THR A 32 9.979 -1.530 0.628 1.00 0.00 H new ATOM 0 HB THR A 32 11.743 0.673 1.654 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.498 -0.912 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.480 -1.099 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.707 -0.949 3.237 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.471 -2.287 2.347 1.00 0.00 H new ATOM 472 N VAL A 33 8.042 -0.187 1.081 1.00 0.00 N ATOM 473 CA VAL A 33 6.868 0.567 1.486 1.00 0.00 C ATOM 474 C VAL A 33 6.567 0.282 2.959 1.00 0.00 C ATOM 475 O VAL A 33 6.584 -0.870 3.388 1.00 0.00 O ATOM 476 CB VAL A 33 5.692 0.241 0.562 1.00 0.00 C ATOM 477 CG1 VAL A 33 6.044 0.538 -0.897 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.246 -1.212 0.734 1.00 0.00 C ATOM 0 H VAL A 33 7.877 -1.181 0.922 1.00 0.00 H new ATOM 0 HA VAL A 33 7.051 1.637 1.392 1.00 0.00 H new ATOM 0 HB VAL A 33 4.857 0.883 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.192 0.298 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.290 1.594 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.901 -0.066 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.409 -1.417 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.075 -1.878 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.936 -1.378 1.766 1.00 0.00 H new ATOM 488 N LYS A 34 6.300 1.352 3.693 1.00 0.00 N ATOM 489 CA LYS A 34 5.996 1.232 5.109 1.00 0.00 C ATOM 490 C LYS A 34 4.503 1.482 5.328 1.00 0.00 C ATOM 491 O LYS A 34 3.996 2.556 5.009 1.00 0.00 O ATOM 492 CB LYS A 34 6.901 2.152 5.931 1.00 0.00 C ATOM 493 CG LYS A 34 6.513 2.123 7.411 1.00 0.00 C ATOM 494 CD LYS A 34 6.133 3.520 7.905 1.00 0.00 C ATOM 495 CE LYS A 34 6.056 3.559 9.432 1.00 0.00 C ATOM 496 NZ LYS A 34 5.464 4.836 9.889 1.00 0.00 N ATOM 0 H LYS A 34 6.288 2.307 3.334 1.00 0.00 H new ATOM 0 HA LYS A 34 6.205 0.221 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.940 1.842 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.829 3.172 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.675 1.441 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.345 1.738 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.868 4.245 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.172 3.811 7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.456 2.724 9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.054 3.442 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.419 4.846 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.052 5.628 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.504 4.933 9.500 1.00 0.00 H new ATOM 510 N VAL A 35 3.840 0.471 5.872 1.00 0.00 N ATOM 511 CA VAL A 35 2.415 0.568 6.139 1.00 0.00 C ATOM 512 C VAL A 35 2.171 1.641 7.201 1.00 0.00 C ATOM 513 O VAL A 35 2.990 1.829 8.099 1.00 0.00 O ATOM 514 CB VAL A 35 1.863 -0.803 6.535 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.351 -0.870 6.311 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.580 -1.922 5.779 1.00 0.00 C ATOM 0 H VAL A 35 4.264 -0.419 6.135 1.00 0.00 H new ATOM 0 HA VAL A 35 1.878 0.873 5.241 1.00 0.00 H new ATOM 0 HB VAL A 35 2.051 -0.945 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.016 -1.855 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.140 -0.107 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.131 -0.696 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.168 -2.886 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.439 -1.785 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.645 -1.894 6.011 1.00 0.00 H new ATOM 526 N ILE A 36 1.040 2.318 7.064 1.00 0.00 N ATOM 527 CA ILE A 36 0.677 3.367 8.001 1.00 0.00 C ATOM 528 C ILE A 36 -0.661 3.020 8.657 1.00 0.00 C ATOM 529 O ILE A 36 -0.800 3.105 9.876 1.00 0.00 O ATOM 530 CB ILE A 36 0.687 4.731 7.309 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.750 4.780 6.208 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.863 5.861 8.325 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.154 4.877 6.807 1.00 0.00 C ATOM 0 H ILE A 36 0.363 2.160 6.318 1.00 0.00 H new ATOM 0 HA ILE A 36 1.415 3.435 8.800 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.281 4.877 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.677 3.888 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.567 5.636 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.867 6.820 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.041 5.839 9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.807 5.731 8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.891 4.910 6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.231 5.783 7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.342 4.007 7.436 1.00 0.00 H new ATOM 545 N GLU A 37 -1.612 2.637 7.818 1.00 0.00 N ATOM 546 CA GLU A 37 -2.935 2.276 8.301 1.00 0.00 C ATOM 547 C GLU A 37 -3.447 1.034 7.568 1.00 0.00 C ATOM 548 O GLU A 37 -2.920 0.666 6.519 1.00 0.00 O ATOM 549 CB GLU A 37 -3.911 3.444 8.148 1.00 0.00 C ATOM 550 CG GLU A 37 -3.338 4.722 8.765 1.00 0.00 C ATOM 551 CD GLU A 37 -4.439 5.550 9.431 1.00 0.00 C ATOM 552 OE1 GLU A 37 -5.381 5.931 8.704 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.313 5.783 10.652 1.00 0.00 O ATOM 0 H GLU A 37 -1.493 2.569 6.807 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.862 2.043 9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.123 3.609 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.858 3.197 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.576 4.465 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.848 5.315 7.993 1.00 0.00 H new ATOM 560 N ALA A 38 -4.468 0.422 8.150 1.00 0.00 N ATOM 561 CA ALA A 38 -5.057 -0.771 7.566 1.00 0.00 C ATOM 562 C ALA A 38 -6.505 -0.903 8.040 1.00 0.00 C ATOM 563 O ALA A 38 -6.756 -1.233 9.198 1.00 0.00 O ATOM 564 CB ALA A 38 -4.209 -1.991 7.933 1.00 0.00 C ATOM 0 H ALA A 38 -4.902 0.730 9.020 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.071 -0.700 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.651 -2.886 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.198 -1.860 7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.174 -2.097 9.017 1.00 0.00 H new ATOM 570 N ASN A 39 -7.422 -0.640 7.120 1.00 0.00 N ATOM 571 CA ASN A 39 -8.839 -0.726 7.429 1.00 0.00 C ATOM 572 C ASN A 39 -9.574 -1.376 6.256 1.00 0.00 C ATOM 573 O ASN A 39 -9.205 -1.176 5.100 1.00 0.00 O ATOM 574 CB ASN A 39 -9.439 0.664 7.652 1.00 0.00 C ATOM 575 CG ASN A 39 -8.578 1.486 8.612 1.00 0.00 C ATOM 576 OD1 ASN A 39 -7.457 1.952 8.069 1.00 0.00 O flip ATOM 577 ND2 ASN A 39 -8.910 1.685 9.769 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.211 -0.367 6.160 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.951 -1.317 8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.524 1.184 6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.448 0.568 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.785 1.298 10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.313 2.239 10.383 1.00 0.00 H new ATOM 584 N ILE A 40 -10.601 -2.142 6.594 1.00 0.00 N ATOM 585 CA ILE A 40 -11.391 -2.823 5.583 1.00 0.00 C ATOM 586 C ILE A 40 -11.854 -1.810 4.534 1.00 0.00 C ATOM 587 O ILE A 40 -11.904 -0.611 4.805 1.00 0.00 O ATOM 588 CB ILE A 40 -12.537 -3.602 6.233 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.481 -2.662 6.985 1.00 0.00 C ATOM 590 CG2 ILE A 40 -12.001 -4.717 7.133 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.723 -3.409 7.475 1.00 0.00 C ATOM 0 H ILE A 40 -10.904 -2.306 7.554 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.785 -3.565 5.064 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.118 -4.078 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.960 -2.220 7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.780 -1.842 6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.836 -5.255 7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.402 -5.407 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.383 -4.284 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.377 -2.718 8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.255 -3.829 6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.423 -4.213 8.147 1.00 0.00 H new ATOM 954 N ILE A 63 -10.231 -8.638 2.000 1.00 0.00 N ATOM 955 CA ILE A 63 -9.405 -7.595 1.417 1.00 0.00 C ATOM 956 C ILE A 63 -9.486 -6.339 2.289 1.00 0.00 C ATOM 957 O ILE A 63 -10.577 -5.857 2.589 1.00 0.00 O ATOM 958 CB ILE A 63 -9.795 -7.356 -0.043 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.183 -8.421 -0.955 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.422 -5.939 -0.485 1.00 0.00 C ATOM 961 CD1 ILE A 63 -7.826 -7.966 -1.495 1.00 0.00 C ATOM 0 HA ILE A 63 -8.360 -7.903 1.397 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.878 -7.445 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.065 -9.353 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.859 -8.626 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.710 -5.795 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.944 -5.214 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.346 -5.797 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.413 -8.741 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.952 -7.047 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.145 -7.786 -0.663 1.00 0.00 H new ATOM 973 N VAL A 64 -8.317 -5.846 2.670 1.00 0.00 N ATOM 974 CA VAL A 64 -8.241 -4.657 3.501 1.00 0.00 C ATOM 975 C VAL A 64 -7.305 -3.640 2.844 1.00 0.00 C ATOM 976 O VAL A 64 -6.268 -4.009 2.296 1.00 0.00 O ATOM 977 CB VAL A 64 -7.812 -5.036 4.920 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.543 -3.787 5.763 1.00 0.00 C ATOM 979 CG2 VAL A 64 -8.856 -5.934 5.587 1.00 0.00 C ATOM 0 H VAL A 64 -7.414 -6.249 2.418 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.221 -4.188 3.587 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.882 -5.600 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.240 -4.084 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.748 -3.201 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.450 -3.185 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.527 -6.189 6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.809 -5.407 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.977 -6.847 5.003 1.00 0.00 H new ATOM 989 N GLU A 65 -7.705 -2.379 2.922 1.00 0.00 N ATOM 990 CA GLU A 65 -6.915 -1.306 2.343 1.00 0.00 C ATOM 991 C GLU A 65 -5.929 -0.755 3.375 1.00 0.00 C ATOM 992 O GLU A 65 -6.330 -0.345 4.463 1.00 0.00 O ATOM 993 CB GLU A 65 -7.815 -0.196 1.797 1.00 0.00 C ATOM 994 CG GLU A 65 -8.105 -0.407 0.309 1.00 0.00 C ATOM 995 CD GLU A 65 -9.148 0.593 -0.193 1.00 0.00 C ATOM 996 OE1 GLU A 65 -9.948 1.050 0.651 1.00 0.00 O ATOM 997 OE2 GLU A 65 -9.122 0.877 -1.410 1.00 0.00 O ATOM 0 H GLU A 65 -8.566 -2.077 3.378 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.346 -1.711 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.752 -0.175 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.335 0.772 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.184 -0.296 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.462 -1.424 0.145 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.659 -0.764 2.998 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.614 -0.270 3.877 1.00 0.00 C ATOM 1006 C CYS A 66 -2.848 0.831 3.142 1.00 0.00 C ATOM 1007 O CYS A 66 -2.777 0.830 1.914 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.688 -1.396 4.343 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.671 -2.881 4.763 1.00 0.00 S ATOM 0 H CYS A 66 -4.330 -1.106 2.095 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.061 0.142 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.970 -1.635 3.559 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.115 -1.071 5.212 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.923 -3.730 5.403 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.293 1.746 3.924 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.535 2.851 3.363 1.00 0.00 C ATOM 1017 C LEU A 67 -0.039 2.553 3.488 1.00 0.00 C ATOM 1018 O LEU A 67 0.469 2.365 4.591 1.00 0.00 O ATOM 1019 CB LEU A 67 -1.955 4.172 4.009 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.396 5.442 3.365 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -1.856 5.567 1.911 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -1.757 6.680 4.189 1.00 0.00 C ATOM 0 H LEU A 67 -2.354 1.744 4.942 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.751 2.960 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.043 4.230 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.650 4.155 5.055 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.308 5.369 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.445 6.478 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.507 4.704 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.945 5.608 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.347 7.569 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.841 6.770 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.340 6.584 5.191 1.00 0.00 H new ATOM 1034 N ILE A 68 0.623 2.520 2.340 1.00 0.00 N ATOM 1035 CA ILE A 68 2.050 2.249 2.308 1.00 0.00 C ATOM 1036 C ILE A 68 2.740 3.280 1.412 1.00 0.00 C ATOM 1037 O ILE A 68 2.123 3.826 0.499 1.00 0.00 O ATOM 1038 CB ILE A 68 2.310 0.800 1.891 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.318 0.661 0.367 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.305 -0.149 2.548 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.991 1.127 -0.233 1.00 0.00 C ATOM 0 H ILE A 68 0.198 2.676 1.426 1.00 0.00 H new ATOM 0 HA ILE A 68 2.481 2.352 3.304 1.00 0.00 H new ATOM 0 HB ILE A 68 3.301 0.515 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.136 1.248 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.499 -0.379 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.512 -1.172 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.392 -0.077 3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.294 0.125 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.023 1.018 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.178 0.522 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.824 2.174 0.021 1.00 0.00 H new ATOM 1053 N GLY A 69 4.011 3.514 1.705 1.00 0.00 N ATOM 1054 CA GLY A 69 4.792 4.470 0.938 1.00 0.00 C ATOM 1055 C GLY A 69 6.150 4.721 1.595 1.00 0.00 C ATOM 1056 O GLY A 69 6.489 4.085 2.592 1.00 0.00 O ATOM 0 H GLY A 69 4.519 3.058 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.938 4.096 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.245 5.409 0.855 1.00 0.00 H new ATOM 1060 N ASP A 70 6.892 5.649 1.009 1.00 0.00 N ATOM 1061 CA ASP A 70 8.207 5.992 1.526 1.00 0.00 C ATOM 1062 C ASP A 70 8.303 7.510 1.696 1.00 0.00 C ATOM 1063 O ASP A 70 7.343 8.230 1.427 1.00 0.00 O ATOM 1064 CB ASP A 70 9.309 5.554 0.560 1.00 0.00 C ATOM 1065 CG ASP A 70 10.629 5.156 1.223 1.00 0.00 C ATOM 1066 OD1 ASP A 70 10.654 5.137 2.473 1.00 0.00 O ATOM 1067 OD2 ASP A 70 11.585 4.881 0.466 1.00 0.00 O ATOM 0 H ASP A 70 6.608 6.174 0.182 1.00 0.00 H new ATOM 0 HA ASP A 70 8.339 5.481 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.944 4.709 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.502 6.367 -0.140 1.00 0.00 H new ATOM 1072 N GLU A 71 9.471 7.950 2.141 1.00 0.00 N ATOM 1073 CA GLU A 71 9.705 9.369 2.349 1.00 0.00 C ATOM 1074 C GLU A 71 9.180 10.174 1.159 1.00 0.00 C ATOM 1075 O GLU A 71 8.805 11.336 1.308 1.00 0.00 O ATOM 1076 CB GLU A 71 11.190 9.650 2.590 1.00 0.00 C ATOM 1077 CG GLU A 71 12.048 9.056 1.471 1.00 0.00 C ATOM 1078 CD GLU A 71 13.491 9.557 1.563 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.273 8.905 2.288 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.780 10.580 0.906 1.00 0.00 O ATOM 0 H GLU A 71 10.265 7.349 2.363 1.00 0.00 H new ATOM 0 HA GLU A 71 9.161 9.680 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.356 10.726 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.493 9.228 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.032 7.968 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.627 9.325 0.503 1.00 0.00 H new ATOM 1087 N THR A 72 9.170 9.525 0.004 1.00 0.00 N ATOM 1088 CA THR A 72 8.698 10.167 -1.211 1.00 0.00 C ATOM 1089 C THR A 72 7.184 10.378 -1.148 1.00 0.00 C ATOM 1090 O THR A 72 6.718 11.482 -0.868 1.00 0.00 O ATOM 1091 CB THR A 72 9.143 9.313 -2.400 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.861 7.977 -1.994 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.660 9.330 -2.597 1.00 0.00 C ATOM 0 H THR A 72 9.481 8.561 -0.116 1.00 0.00 H new ATOM 0 HA THR A 72 9.129 11.161 -1.327 1.00 0.00 H new ATOM 0 HB THR A 72 8.655 9.671 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.261 7.557 -2.645 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.923 8.709 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.992 10.353 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.147 8.941 -1.703 1.00 0.00 H new ATOM 1101 N GLY A 73 6.457 9.303 -1.414 1.00 0.00 N ATOM 1102 CA GLY A 73 5.005 9.356 -1.391 1.00 0.00 C ATOM 1103 C GLY A 73 4.413 8.009 -0.971 1.00 0.00 C ATOM 1104 O GLY A 73 5.143 7.103 -0.575 1.00 0.00 O ATOM 0 H GLY A 73 6.847 8.389 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.677 10.133 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.632 9.629 -2.378 1.00 0.00 H new ATOM 1108 N CYS A 74 3.095 7.921 -1.073 1.00 0.00 N ATOM 1109 CA CYS A 74 2.396 6.700 -0.709 1.00 0.00 C ATOM 1110 C CYS A 74 1.277 6.466 -1.725 1.00 0.00 C ATOM 1111 O CYS A 74 0.959 7.350 -2.519 1.00 0.00 O ATOM 1112 CB CYS A 74 1.863 6.759 0.724 1.00 0.00 C ATOM 1113 SG CYS A 74 0.688 8.150 0.898 1.00 0.00 S ATOM 0 H CYS A 74 2.493 8.675 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 74 3.090 5.860 -0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.368 5.821 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.690 6.881 1.424 1.00 0.00 H new ATOM 0 HG CYS A 74 0.240 8.190 2.118 1.00 0.00 H new ATOM 1119 N ILE A 75 0.709 5.270 -1.668 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.368 4.908 -2.573 1.00 0.00 C ATOM 1121 C ILE A 75 -1.302 3.916 -1.877 1.00 0.00 C ATOM 1122 O ILE A 75 -0.937 3.321 -0.865 1.00 0.00 O ATOM 1123 CB ILE A 75 0.196 4.395 -3.899 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.244 2.866 -3.920 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.564 5.016 -4.190 1.00 0.00 C ATOM 1126 CD1 ILE A 75 1.425 2.344 -3.099 1.00 0.00 C ATOM 0 H ILE A 75 0.975 4.539 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.964 5.785 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.476 4.707 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.687 2.464 -3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.328 2.515 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.942 4.634 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.467 6.100 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.259 4.756 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.436 1.255 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.356 2.729 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.325 2.676 -2.066 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.489 3.769 -2.448 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.477 2.859 -1.895 1.00 0.00 C ATOM 1140 C LEU A 76 -3.250 1.458 -2.465 1.00 0.00 C ATOM 1141 O LEU A 76 -3.629 1.177 -3.601 1.00 0.00 O ATOM 1142 CB LEU A 76 -4.891 3.397 -2.130 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.893 3.165 -0.998 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -5.711 1.778 -0.379 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -5.803 4.277 0.050 1.00 0.00 C ATOM 0 H LEU A 76 -2.788 4.265 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.364 2.785 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.824 4.469 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.286 2.940 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.898 3.199 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.436 1.640 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.865 1.016 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.702 1.689 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.526 4.088 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.798 4.299 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.021 5.237 -0.418 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.632 0.615 -1.650 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.349 -0.750 -2.059 1.00 0.00 C ATOM 1159 C PHE A 77 -3.358 -1.725 -1.449 1.00 0.00 C ATOM 1160 O PHE A 77 -3.785 -1.549 -0.309 1.00 0.00 O ATOM 1161 CB PHE A 77 -0.950 -1.091 -1.542 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.608 -2.581 -1.610 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -1.235 -3.461 -0.784 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.323 -3.025 -2.496 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.918 -4.844 -0.847 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.640 -4.408 -2.559 1.00 0.00 C ATOM 1167 CZ PHE A 77 0.014 -5.288 -1.733 1.00 0.00 C ATOM 0 H PHE A 77 -2.319 0.851 -0.708 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.413 -0.835 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.214 -0.533 -2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.864 -0.756 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.974 -3.108 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.821 -2.326 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.417 -5.543 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.379 -4.761 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.257 -6.339 -1.780 1.00 0.00 H new ATOM 1177 N THR A 78 -3.709 -2.732 -2.235 1.00 0.00 N ATOM 1178 CA THR A 78 -4.659 -3.736 -1.786 1.00 0.00 C ATOM 1179 C THR A 78 -3.929 -5.015 -1.372 1.00 0.00 C ATOM 1180 O THR A 78 -3.143 -5.562 -2.143 1.00 0.00 O ATOM 1181 CB THR A 78 -5.680 -3.954 -2.904 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.405 -2.728 -2.956 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.737 -4.997 -2.536 1.00 0.00 C ATOM 0 H THR A 78 -3.353 -2.874 -3.180 1.00 0.00 H new ATOM 0 HA THR A 78 -5.195 -3.403 -0.897 1.00 0.00 H new ATOM 0 HB THR A 78 -5.163 -4.266 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.088 -2.781 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.437 -5.114 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.251 -5.952 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.277 -4.670 -1.648 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.214 -5.453 -0.154 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.594 -6.658 0.371 1.00 0.00 C ATOM 1193 C ALA A 79 -4.676 -7.703 0.650 1.00 0.00 C ATOM 1194 O ALA A 79 -5.704 -7.393 1.249 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.783 -6.311 1.622 1.00 0.00 C ATOM 0 H ALA A 79 -4.865 -4.995 0.484 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.904 -7.084 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.318 -7.214 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.010 -5.587 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.443 -5.884 2.377 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.407 -8.921 0.201 1.00 0.00 N ATOM 1202 CA ARG A 80 -5.345 -10.014 0.395 1.00 0.00 C ATOM 1203 C ARG A 80 -5.353 -10.453 1.860 1.00 0.00 C ATOM 1204 O ARG A 80 -4.503 -10.031 2.643 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.984 -11.211 -0.487 1.00 0.00 C ATOM 1206 CG ARG A 80 -4.996 -10.825 -1.968 1.00 0.00 C ATOM 1207 CD ARG A 80 -5.934 -11.734 -2.764 1.00 0.00 C ATOM 1208 NE ARG A 80 -5.689 -11.568 -4.214 1.00 0.00 N ATOM 1209 CZ ARG A 80 -6.496 -12.045 -5.172 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -7.604 -12.721 -4.839 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -6.195 -11.847 -6.462 1.00 0.00 N ATOM 0 H ARG A 80 -3.553 -9.175 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.335 -9.655 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.997 -11.585 -0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.691 -12.022 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -5.312 -9.787 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.987 -10.894 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.777 -12.774 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.971 -11.493 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.854 -11.059 -4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.833 -12.872 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.218 -13.084 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -5.351 -11.333 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.809 -12.210 -7.191 1.00 0.00 H new ATOM 1225 N ASN A 81 -6.323 -11.294 2.187 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.453 -11.795 3.545 1.00 0.00 C ATOM 1227 C ASN A 81 -5.093 -12.298 4.031 1.00 0.00 C ATOM 1228 O ASN A 81 -4.848 -12.372 5.234 1.00 0.00 O ATOM 1229 CB ASN A 81 -7.440 -12.963 3.609 1.00 0.00 C ATOM 1230 CG ASN A 81 -7.785 -13.310 5.058 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -7.944 -12.450 5.909 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -7.893 -14.615 5.291 1.00 0.00 N ATOM 0 H ASN A 81 -7.026 -11.641 1.535 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.817 -10.981 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.350 -12.705 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.010 -13.834 3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.122 -14.949 6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.747 -15.282 4.533 1.00 0.00 H new ATOM 1239 N ASP A 82 -4.243 -12.632 3.070 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.914 -13.126 3.386 1.00 0.00 C ATOM 1241 C ASP A 82 -1.945 -11.946 3.479 1.00 0.00 C ATOM 1242 O ASP A 82 -1.329 -11.725 4.520 1.00 0.00 O ATOM 1243 CB ASP A 82 -2.405 -14.071 2.295 1.00 0.00 C ATOM 1244 CG ASP A 82 -2.283 -15.537 2.716 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -2.686 -15.835 3.861 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -1.789 -16.327 1.882 1.00 0.00 O ATOM 0 H ASP A 82 -4.449 -12.570 2.073 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.970 -13.664 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.077 -14.009 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.428 -13.722 1.960 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.839 -11.220 2.376 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.955 -10.068 2.320 1.00 0.00 C ATOM 1253 C GLN A 83 -1.261 -9.108 3.472 1.00 0.00 C ATOM 1254 O GLN A 83 -0.347 -8.550 4.078 1.00 0.00 O ATOM 1255 CB GLN A 83 -1.066 -9.357 0.970 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.840 -10.335 -0.185 1.00 0.00 C ATOM 1257 CD GLN A 83 0.314 -9.873 -1.077 1.00 0.00 C ATOM 1258 OE1 GLN A 83 1.322 -10.543 -1.229 1.00 0.00 O ATOM 1259 NE2 GLN A 83 0.111 -8.693 -1.656 1.00 0.00 N ATOM 0 H GLN A 83 -2.351 -11.407 1.514 1.00 0.00 H new ATOM 0 HA GLN A 83 0.072 -10.417 2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.051 -8.899 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.333 -8.552 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.623 -11.327 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.751 -10.420 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.756 -8.184 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.823 -8.297 -2.270 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.548 -8.945 3.739 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.985 -8.063 4.807 1.00 0.00 C ATOM 1270 C VAL A 84 -2.028 -8.193 5.994 1.00 0.00 C ATOM 1271 O VAL A 84 -1.598 -7.190 6.561 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.439 -8.367 5.175 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.523 -9.539 6.154 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.131 -7.127 5.744 1.00 0.00 C ATOM 0 H VAL A 84 -3.303 -9.409 3.234 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.957 -7.024 4.479 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.962 -8.654 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.567 -9.734 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.085 -10.427 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.977 -9.293 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.163 -7.370 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.606 -6.796 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.118 -6.330 5.001 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.724 -9.437 6.334 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.826 -9.711 7.443 1.00 0.00 C ATOM 1286 C ASP A 85 0.494 -8.969 7.220 1.00 0.00 C ATOM 1287 O ASP A 85 0.921 -8.187 8.068 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.517 -11.205 7.544 1.00 0.00 C ATOM 1289 CG ASP A 85 -1.515 -12.018 8.372 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -2.659 -12.170 7.891 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -1.112 -12.468 9.466 1.00 0.00 O ATOM 0 H ASP A 85 -2.083 -10.266 5.861 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.312 -9.380 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.479 -11.622 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.476 -11.327 7.977 1.00 0.00 H new ATOM 1296 N LEU A 86 1.102 -9.240 6.075 1.00 0.00 N ATOM 1297 CA LEU A 86 2.365 -8.608 5.730 1.00 0.00 C ATOM 1298 C LEU A 86 2.153 -7.100 5.591 1.00 0.00 C ATOM 1299 O LEU A 86 3.064 -6.315 5.852 1.00 0.00 O ATOM 1300 CB LEU A 86 2.969 -9.262 4.486 1.00 0.00 C ATOM 1301 CG LEU A 86 3.631 -10.625 4.698 1.00 0.00 C ATOM 1302 CD1 LEU A 86 3.591 -11.460 3.417 1.00 0.00 C ATOM 1303 CD2 LEU A 86 5.055 -10.465 5.234 1.00 0.00 C ATOM 0 H LEU A 86 0.744 -9.889 5.374 1.00 0.00 H new ATOM 0 HA LEU A 86 3.096 -8.756 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.182 -9.375 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.710 -8.582 4.066 1.00 0.00 H new ATOM 0 HG LEU A 86 3.062 -11.167 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.068 -12.424 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.555 -11.618 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.122 -10.934 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.503 -11.448 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.650 -9.895 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.028 -9.938 6.188 1.00 0.00 H new ATOM 1315 N MET A 87 0.947 -6.739 5.179 1.00 0.00 N ATOM 1316 CA MET A 87 0.604 -5.338 5.002 1.00 0.00 C ATOM 1317 C MET A 87 -0.098 -4.784 6.244 1.00 0.00 C ATOM 1318 O MET A 87 -1.091 -4.066 6.131 1.00 0.00 O ATOM 1319 CB MET A 87 -0.312 -5.186 3.786 1.00 0.00 C ATOM 1320 CG MET A 87 0.353 -5.743 2.526 1.00 0.00 C ATOM 1321 SD MET A 87 1.762 -4.740 2.085 1.00 0.00 S ATOM 1322 CE MET A 87 1.024 -3.117 2.161 1.00 0.00 C ATOM 0 H MET A 87 0.195 -7.393 4.962 1.00 0.00 H new ATOM 0 HA MET A 87 1.524 -4.775 4.847 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.252 -5.708 3.967 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.555 -4.134 3.638 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.668 -6.773 2.696 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.363 -5.760 1.704 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.639 -2.411 1.603 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.025 -3.151 1.727 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.957 -2.796 3.201 1.00 0.00 H new ATOM 1332 N LYS A 88 0.445 -5.138 7.399 1.00 0.00 N ATOM 1333 CA LYS A 88 -0.117 -4.685 8.660 1.00 0.00 C ATOM 1334 C LYS A 88 0.266 -3.222 8.888 1.00 0.00 C ATOM 1335 O LYS A 88 1.266 -2.747 8.351 1.00 0.00 O ATOM 1336 CB LYS A 88 0.304 -5.616 9.799 1.00 0.00 C ATOM 1337 CG LYS A 88 -0.760 -6.685 10.056 1.00 0.00 C ATOM 1338 CD LYS A 88 -1.233 -6.649 11.511 1.00 0.00 C ATOM 1339 CE LYS A 88 -0.785 -7.903 12.264 1.00 0.00 C ATOM 1340 NZ LYS A 88 -1.606 -8.098 13.480 1.00 0.00 N ATOM 0 H LYS A 88 1.268 -5.733 7.488 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.206 -4.728 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.252 -6.094 9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.467 -5.035 10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.608 -6.526 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.354 -7.670 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.835 -5.762 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.320 -6.571 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.872 -8.775 11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.266 -7.814 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.289 -8.953 13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.502 -7.273 14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.605 -8.204 13.211 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.571 -2.529 9.707 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.330 -1.129 10.012 1.00 0.00 C ATOM 1356 C PRO A 89 0.824 -0.976 11.005 1.00 0.00 C ATOM 1357 O PRO A 89 0.890 -1.693 12.002 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.652 -0.612 10.554 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.444 -1.842 10.967 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.764 -3.059 10.360 1.00 0.00 C ATOM 0 HA PRO A 89 -0.021 -0.555 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.493 0.053 11.403 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.187 -0.039 9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.479 -1.926 12.053 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.474 -1.767 10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.505 -3.791 11.125 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.416 -3.562 9.646 1.00 0.00 H new ATOM 1368 N GLY A 90 1.706 -0.036 10.697 1.00 0.00 N ATOM 1369 CA GLY A 90 2.854 0.221 11.550 1.00 0.00 C ATOM 1370 C GLY A 90 3.960 -0.808 11.305 1.00 0.00 C ATOM 1371 O GLY A 90 4.806 -1.033 12.170 1.00 0.00 O ATOM 0 H GLY A 90 1.649 0.557 9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.236 1.224 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.549 0.190 12.596 1.00 0.00 H new ATOM 1375 N ALA A 91 3.917 -1.406 10.124 1.00 0.00 N ATOM 1376 CA ALA A 91 4.905 -2.406 9.755 1.00 0.00 C ATOM 1377 C ALA A 91 5.514 -2.039 8.400 1.00 0.00 C ATOM 1378 O ALA A 91 4.881 -1.359 7.594 1.00 0.00 O ATOM 1379 CB ALA A 91 4.252 -3.789 9.744 1.00 0.00 C ATOM 0 H ALA A 91 3.214 -1.218 9.410 1.00 0.00 H new ATOM 0 HA ALA A 91 5.714 -2.433 10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.993 -4.539 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.861 -4.014 10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.436 -3.801 9.021 1.00 0.00 H new ATOM 1385 N THR A 92 6.737 -2.505 8.192 1.00 0.00 N ATOM 1386 CA THR A 92 7.439 -2.234 6.949 1.00 0.00 C ATOM 1387 C THR A 92 7.575 -3.515 6.123 1.00 0.00 C ATOM 1388 O THR A 92 7.884 -4.576 6.663 1.00 0.00 O ATOM 1389 CB THR A 92 8.783 -1.590 7.295 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.427 -0.396 7.987 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.531 -1.094 6.056 1.00 0.00 C ATOM 0 H THR A 92 7.259 -3.068 8.863 1.00 0.00 H new ATOM 0 HA THR A 92 6.880 -1.538 6.323 1.00 0.00 H new ATOM 0 HB THR A 92 9.404 -2.309 7.829 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.663 -0.484 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.478 -0.646 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.723 -1.933 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.926 -0.349 5.539 1.00 0.00 H new ATOM 1399 N VAL A 93 7.337 -3.373 4.827 1.00 0.00 N ATOM 1400 CA VAL A 93 7.428 -4.506 3.921 1.00 0.00 C ATOM 1401 C VAL A 93 7.884 -4.017 2.545 1.00 0.00 C ATOM 1402 O VAL A 93 7.798 -2.827 2.245 1.00 0.00 O ATOM 1403 CB VAL A 93 6.093 -5.251 3.879 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.836 -5.991 5.193 1.00 0.00 C ATOM 1405 CG2 VAL A 93 4.942 -4.297 3.553 1.00 0.00 C ATOM 0 H VAL A 93 7.081 -2.491 4.383 1.00 0.00 H new ATOM 0 HA VAL A 93 8.172 -5.220 4.275 1.00 0.00 H new ATOM 0 HB VAL A 93 6.149 -5.993 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.880 -6.512 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.634 -6.713 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.811 -5.275 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.005 -4.853 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.885 -3.521 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.115 -3.837 2.580 1.00 0.00 H new ATOM 1415 N ILE A 94 8.360 -4.960 1.745 1.00 0.00 N ATOM 1416 CA ILE A 94 8.829 -4.641 0.408 1.00 0.00 C ATOM 1417 C ILE A 94 7.898 -5.283 -0.622 1.00 0.00 C ATOM 1418 O ILE A 94 7.236 -6.277 -0.330 1.00 0.00 O ATOM 1419 CB ILE A 94 10.297 -5.042 0.245 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.225 -3.970 0.818 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.620 -5.358 -1.217 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.670 -4.471 0.880 1.00 0.00 C ATOM 0 H ILE A 94 8.431 -5.946 1.998 1.00 0.00 H new ATOM 0 HA ILE A 94 8.796 -3.565 0.240 1.00 0.00 H new ATOM 0 HB ILE A 94 10.467 -5.954 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.174 -3.072 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.890 -3.690 1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.669 -5.640 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.993 -6.182 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.428 -4.478 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.309 -3.689 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.722 -5.354 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.010 -4.727 -0.124 1.00 0.00 H new ATOM 1434 N LEU A 95 7.877 -4.688 -1.806 1.00 0.00 N ATOM 1435 CA LEU A 95 7.038 -5.190 -2.881 1.00 0.00 C ATOM 1436 C LEU A 95 7.918 -5.572 -4.073 1.00 0.00 C ATOM 1437 O LEU A 95 8.539 -4.710 -4.692 1.00 0.00 O ATOM 1438 CB LEU A 95 5.944 -4.177 -3.224 1.00 0.00 C ATOM 1439 CG LEU A 95 4.511 -4.599 -2.894 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.323 -4.767 -1.385 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.500 -3.619 -3.492 1.00 0.00 C ATOM 0 H LEU A 95 8.428 -3.863 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 95 6.516 -6.094 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.159 -3.248 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.001 -3.958 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 95 4.327 -5.571 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.296 -5.067 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.006 -5.532 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.533 -3.822 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.489 -3.942 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.674 -2.623 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.616 -3.593 -4.576 1.00 0.00 H new ATOM 1453 N ARG A 96 7.943 -6.866 -4.358 1.00 0.00 N ATOM 1454 CA ARG A 96 8.737 -7.373 -5.464 1.00 0.00 C ATOM 1455 C ARG A 96 7.826 -7.815 -6.612 1.00 0.00 C ATOM 1456 O ARG A 96 6.894 -8.591 -6.407 1.00 0.00 O ATOM 1457 CB ARG A 96 9.601 -8.557 -5.025 1.00 0.00 C ATOM 1458 CG ARG A 96 10.797 -8.084 -4.195 1.00 0.00 C ATOM 1459 CD ARG A 96 11.499 -9.265 -3.523 1.00 0.00 C ATOM 1460 NE ARG A 96 12.846 -9.453 -4.109 1.00 0.00 N ATOM 1461 CZ ARG A 96 13.582 -10.563 -3.960 1.00 0.00 C ATOM 1462 NH1 ARG A 96 13.106 -11.591 -3.244 1.00 0.00 N ATOM 1463 NH2 ARG A 96 14.793 -10.644 -4.527 1.00 0.00 N ATOM 0 H ARG A 96 7.426 -7.578 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 96 9.389 -6.567 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.000 -9.253 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.954 -9.099 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.502 -7.554 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.461 -7.377 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.581 -9.088 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.908 -10.171 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 96 13.238 -8.690 -4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.184 -11.528 -2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.666 -12.436 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.154 -9.861 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.354 -11.489 -4.414 1.00 0.00 H new ATOM 1477 N ASN A 97 8.127 -7.300 -7.795 1.00 0.00 N ATOM 1478 CA ASN A 97 7.348 -7.632 -8.976 1.00 0.00 C ATOM 1479 C ASN A 97 5.990 -6.931 -8.898 1.00 0.00 C ATOM 1480 O ASN A 97 5.045 -7.324 -9.580 1.00 0.00 O ATOM 1481 CB ASN A 97 7.098 -9.138 -9.066 1.00 0.00 C ATOM 1482 CG ASN A 97 7.597 -9.698 -10.399 1.00 0.00 C ATOM 1483 OD1 ASN A 97 8.735 -9.506 -10.795 1.00 0.00 O ATOM 1484 ND2 ASN A 97 6.686 -10.400 -11.067 1.00 0.00 N ATOM 0 H ASN A 97 8.900 -6.655 -7.961 1.00 0.00 H new ATOM 0 HA ASN A 97 7.909 -7.307 -9.852 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.603 -9.644 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.032 -9.340 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.922 -10.816 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.751 -10.523 -10.678 1.00 0.00 H new ATOM 1491 N SER A 98 5.936 -5.905 -8.061 1.00 0.00 N ATOM 1492 CA SER A 98 4.710 -5.146 -7.886 1.00 0.00 C ATOM 1493 C SER A 98 4.410 -4.337 -9.149 1.00 0.00 C ATOM 1494 O SER A 98 5.270 -3.609 -9.643 1.00 0.00 O ATOM 1495 CB SER A 98 4.805 -4.219 -6.672 1.00 0.00 C ATOM 1496 OG SER A 98 5.956 -3.380 -6.729 1.00 0.00 O ATOM 0 H SER A 98 6.722 -5.582 -7.497 1.00 0.00 H new ATOM 0 HA SER A 98 3.895 -5.848 -7.710 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.909 -3.601 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.837 -4.817 -5.761 1.00 0.00 H new ATOM 0 HG SER A 98 5.827 -2.607 -6.141 1.00 0.00 H new ATOM 1502 N ARG A 99 3.187 -4.491 -9.636 1.00 0.00 N ATOM 1503 CA ARG A 99 2.763 -3.784 -10.832 1.00 0.00 C ATOM 1504 C ARG A 99 1.756 -2.690 -10.473 1.00 0.00 C ATOM 1505 O ARG A 99 1.072 -2.780 -9.454 1.00 0.00 O ATOM 1506 CB ARG A 99 2.127 -4.742 -11.841 1.00 0.00 C ATOM 1507 CG ARG A 99 0.850 -5.366 -11.275 1.00 0.00 C ATOM 1508 CD ARG A 99 -0.386 -4.861 -12.022 1.00 0.00 C ATOM 1509 NE ARG A 99 -1.073 -5.991 -12.687 1.00 0.00 N ATOM 1510 CZ ARG A 99 -0.739 -6.467 -13.894 1.00 0.00 C ATOM 1511 NH1 ARG A 99 0.273 -5.915 -14.576 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -1.418 -7.496 -14.419 1.00 0.00 N ATOM 0 H ARG A 99 2.476 -5.095 -9.223 1.00 0.00 H new ATOM 0 HA ARG A 99 3.648 -3.334 -11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.897 -4.206 -12.762 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.837 -5.528 -12.099 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.907 -6.452 -11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.762 -5.125 -10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.066 -4.370 -11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.094 -4.116 -12.762 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.849 -6.435 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.790 -5.132 -14.176 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.527 -6.278 -15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.189 -7.916 -13.900 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.164 -7.859 -15.338 1.00 0.00 H new ATOM 1526 N ILE A 100 1.696 -1.681 -11.329 1.00 0.00 N ATOM 1527 CA ILE A 100 0.783 -0.570 -11.115 1.00 0.00 C ATOM 1528 C ILE A 100 -0.461 -0.763 -11.984 1.00 0.00 C ATOM 1529 O ILE A 100 -0.356 -0.910 -13.201 1.00 0.00 O ATOM 1530 CB ILE A 100 1.497 0.763 -11.350 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.619 0.971 -10.331 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.502 1.925 -11.353 1.00 0.00 C ATOM 1533 CD1 ILE A 100 2.051 1.316 -8.953 1.00 0.00 C ATOM 0 H ILE A 100 2.265 -1.609 -12.173 1.00 0.00 H new ATOM 0 HA ILE A 100 0.447 -0.547 -10.078 1.00 0.00 H new ATOM 0 HB ILE A 100 1.960 0.733 -12.336 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.225 0.068 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.277 1.772 -10.668 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.035 2.860 -11.522 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.229 1.776 -12.147 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.010 1.968 -10.392 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.869 1.459 -8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.466 2.233 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.413 0.502 -8.608 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.610 -0.757 -11.325 1.00 0.00 N ATOM 1546 CA ASP A 101 -2.874 -0.929 -12.022 1.00 0.00 C ATOM 1547 C ASP A 101 -3.469 0.445 -12.336 1.00 0.00 C ATOM 1548 O ASP A 101 -3.648 1.267 -11.440 1.00 0.00 O ATOM 1549 CB ASP A 101 -3.879 -1.694 -11.160 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.290 -2.858 -10.359 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -2.780 -2.584 -9.251 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -3.363 -3.995 -10.873 1.00 0.00 O ATOM 0 H ASP A 101 -1.693 -0.636 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.681 -1.492 -12.935 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.346 -0.995 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.669 -2.079 -11.805 1.00 0.00 H new ATOM 1557 N MET A 102 -3.760 0.650 -13.612 1.00 0.00 N ATOM 1558 CA MET A 102 -4.332 1.910 -14.056 1.00 0.00 C ATOM 1559 C MET A 102 -5.826 1.979 -13.730 1.00 0.00 C ATOM 1560 O MET A 102 -6.631 1.279 -14.341 1.00 0.00 O ATOM 1561 CB MET A 102 -4.132 2.059 -15.565 1.00 0.00 C ATOM 1562 CG MET A 102 -3.807 3.508 -15.935 1.00 0.00 C ATOM 1563 SD MET A 102 -4.960 4.614 -15.140 1.00 0.00 S ATOM 1564 CE MET A 102 -3.818 5.732 -14.344 1.00 0.00 C ATOM 0 H MET A 102 -3.610 -0.035 -14.353 1.00 0.00 H new ATOM 0 HA MET A 102 -3.826 2.721 -13.532 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.324 1.406 -15.895 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.033 1.740 -16.088 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.789 3.750 -15.630 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.855 3.635 -17.016 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.367 6.405 -13.685 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.097 5.160 -13.760 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.292 6.314 -15.100 1.00 0.00 H new ATOM 1574 N PHE A 103 -6.150 2.830 -12.768 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.532 3.000 -12.353 1.00 0.00 C ATOM 1576 C PHE A 103 -8.146 4.249 -12.988 1.00 0.00 C ATOM 1577 O PHE A 103 -7.426 5.158 -13.400 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.526 3.166 -10.832 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.916 3.119 -10.195 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -9.763 4.175 -10.331 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -9.306 2.021 -9.494 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -11.053 4.131 -9.739 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.596 1.976 -8.903 1.00 0.00 C ATOM 1584 CZ PHE A 103 -11.442 3.032 -9.038 1.00 0.00 C ATOM 0 H PHE A 103 -5.479 3.410 -12.264 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.122 2.139 -12.666 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.910 2.381 -10.394 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.055 4.117 -10.583 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.454 5.047 -10.889 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.634 1.182 -9.387 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.725 4.970 -9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.905 1.104 -8.347 1.00 0.00 H new ATOM 0 HZ PHE A 103 -12.423 2.998 -8.588 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.469 4.254 -13.049 1.00 0.00 N ATOM 1595 CA LYS A 104 -10.188 5.377 -13.627 1.00 0.00 C ATOM 1596 C LYS A 104 -9.524 6.683 -13.187 1.00 0.00 C ATOM 1597 O LYS A 104 -9.785 7.178 -12.092 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.676 5.296 -13.281 1.00 0.00 C ATOM 1599 CG LYS A 104 -12.295 4.005 -13.819 1.00 0.00 C ATOM 1600 CD LYS A 104 -13.823 4.071 -13.779 1.00 0.00 C ATOM 1601 CE LYS A 104 -14.348 3.774 -12.373 1.00 0.00 C ATOM 1602 NZ LYS A 104 -15.772 4.163 -12.258 1.00 0.00 N ATOM 0 H LYS A 104 -10.063 3.498 -12.708 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.136 5.343 -14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.804 5.342 -12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.198 6.156 -13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.961 3.837 -14.843 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.948 3.157 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -14.156 5.060 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -14.240 3.354 -14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.236 2.712 -12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.756 4.316 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -16.112 3.955 -11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.870 5.181 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -16.335 3.627 -12.949 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.678 7.204 -14.063 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.974 8.443 -13.779 1.00 0.00 C ATOM 1618 C GLY A 105 -7.201 8.345 -12.462 1.00 0.00 C ATOM 1619 O GLY A 105 -7.202 9.282 -11.666 1.00 0.00 O ATOM 0 H GLY A 105 -8.464 6.790 -14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.285 8.669 -14.593 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.686 9.266 -13.726 1.00 0.00 H new ATOM 1623 N THR A 106 -6.559 7.201 -12.274 1.00 0.00 N ATOM 1624 CA THR A 106 -5.784 6.968 -11.067 1.00 0.00 C ATOM 1625 C THR A 106 -5.003 5.658 -11.180 1.00 0.00 C ATOM 1626 O THR A 106 -5.092 4.962 -12.191 1.00 0.00 O ATOM 1627 CB THR A 106 -6.742 7.003 -9.875 1.00 0.00 C ATOM 1628 OG1 THR A 106 -8.019 6.733 -10.448 1.00 0.00 O ATOM 1629 CG2 THR A 106 -6.889 8.406 -9.283 1.00 0.00 C ATOM 0 H THR A 106 -6.560 6.426 -12.937 1.00 0.00 H new ATOM 0 HA THR A 106 -5.034 7.746 -10.922 1.00 0.00 H new ATOM 0 HB THR A 106 -6.387 6.319 -9.104 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.350 5.872 -10.118 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.580 8.375 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.916 8.761 -8.942 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.276 9.083 -10.044 1.00 0.00 H new ATOM 1637 N MET A 107 -4.253 5.360 -10.129 1.00 0.00 N ATOM 1638 CA MET A 107 -3.457 4.145 -10.097 1.00 0.00 C ATOM 1639 C MET A 107 -3.230 3.675 -8.659 1.00 0.00 C ATOM 1640 O MET A 107 -3.500 4.412 -7.712 1.00 0.00 O ATOM 1641 CB MET A 107 -2.107 4.402 -10.770 1.00 0.00 C ATOM 1642 CG MET A 107 -1.387 5.586 -10.120 1.00 0.00 C ATOM 1643 SD MET A 107 0.377 5.316 -10.146 1.00 0.00 S ATOM 1644 CE MET A 107 0.781 5.743 -8.461 1.00 0.00 C ATOM 0 H MET A 107 -4.180 5.940 -9.293 1.00 0.00 H new ATOM 0 HA MET A 107 -3.998 3.365 -10.632 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.485 3.510 -10.698 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.258 4.601 -11.831 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.630 6.506 -10.651 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.729 5.711 -9.093 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.498 6.564 -8.456 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.124 6.048 -7.936 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.216 4.878 -7.961 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.736 2.452 -8.541 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.469 1.875 -7.234 1.00 0.00 C ATOM 1656 C ARG A 108 -1.366 0.819 -7.335 1.00 0.00 C ATOM 1657 O ARG A 108 -1.014 0.387 -8.431 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.728 1.232 -6.649 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.803 2.286 -6.371 1.00 0.00 C ATOM 1660 CD ARG A 108 -6.004 1.667 -5.652 1.00 0.00 C ATOM 1661 NE ARG A 108 -7.261 2.234 -6.189 1.00 0.00 N ATOM 1662 CZ ARG A 108 -8.467 2.044 -5.636 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -8.586 1.301 -4.527 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -9.554 2.598 -6.192 1.00 0.00 N ATOM 0 H ARG A 108 -2.513 1.844 -9.329 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.146 2.681 -6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.116 0.486 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.478 0.709 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.383 3.087 -5.762 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.128 2.735 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.998 0.585 -5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.936 1.860 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.206 2.805 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.759 0.880 -4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.504 1.156 -4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.463 3.164 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.472 2.453 -5.771 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.852 0.435 -6.176 1.00 0.00 N ATOM 1679 CA LEU A 109 0.204 -0.561 -6.120 1.00 0.00 C ATOM 1680 C LEU A 109 -0.413 -1.939 -5.870 1.00 0.00 C ATOM 1681 O LEU A 109 -1.318 -2.078 -5.049 1.00 0.00 O ATOM 1682 CB LEU A 109 1.261 -0.165 -5.086 1.00 0.00 C ATOM 1683 CG LEU A 109 2.611 -0.876 -5.200 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.209 -0.695 -6.596 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.569 -0.413 -4.101 1.00 0.00 C ATOM 0 H LEU A 109 -1.147 0.796 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 109 0.728 -0.613 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.431 0.909 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.856 -0.354 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 109 2.448 -1.944 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.168 -1.210 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.530 -1.113 -7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.355 0.367 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.521 -0.934 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.732 0.661 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.138 -0.636 -3.125 1.00 0.00 H new ATOM 1697 N GLY A 110 0.101 -2.922 -6.594 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.389 -4.284 -6.462 1.00 0.00 C ATOM 1699 C GLY A 110 0.717 -5.296 -6.767 1.00 0.00 C ATOM 1700 O GLY A 110 1.836 -4.915 -7.107 1.00 0.00 O ATOM 0 H GLY A 110 0.852 -2.803 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.764 -4.443 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.227 -4.440 -7.141 1.00 0.00 H new ATOM 1704 N VAL A 111 0.365 -6.566 -6.636 1.00 0.00 N ATOM 1705 CA VAL A 111 1.314 -7.637 -6.893 1.00 0.00 C ATOM 1706 C VAL A 111 0.626 -8.738 -7.702 1.00 0.00 C ATOM 1707 O VAL A 111 -0.487 -9.148 -7.379 1.00 0.00 O ATOM 1708 CB VAL A 111 1.903 -8.142 -5.575 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.731 -9.410 -5.795 1.00 0.00 C ATOM 1710 CG2 VAL A 111 2.736 -7.054 -4.893 1.00 0.00 C ATOM 0 H VAL A 111 -0.565 -6.878 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 111 2.151 -7.271 -7.488 1.00 0.00 H new ATOM 0 HB VAL A 111 1.075 -8.393 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.138 -9.748 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.097 -10.190 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.548 -9.196 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.143 -7.440 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.554 -6.757 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.105 -6.190 -4.685 1.00 0.00 H new ATOM 1720 N ASP A 112 1.319 -9.187 -8.739 1.00 0.00 N ATOM 1721 CA ASP A 112 0.789 -10.233 -9.597 1.00 0.00 C ATOM 1722 C ASP A 112 1.027 -11.594 -8.940 1.00 0.00 C ATOM 1723 O ASP A 112 1.667 -11.679 -7.893 1.00 0.00 O ATOM 1724 CB ASP A 112 1.488 -10.236 -10.958 1.00 0.00 C ATOM 1725 CG ASP A 112 0.703 -9.569 -12.089 1.00 0.00 C ATOM 1726 OD1 ASP A 112 -0.538 -9.504 -11.957 1.00 0.00 O ATOM 1727 OD2 ASP A 112 1.362 -9.138 -13.060 1.00 0.00 O ATOM 0 H ASP A 112 2.243 -8.845 -9.004 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.275 -10.046 -9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 112 2.449 -9.732 -10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.697 -11.268 -11.240 1.00 0.00 H new ATOM 1732 N LYS A 113 0.499 -12.626 -9.582 1.00 0.00 N ATOM 1733 CA LYS A 113 0.646 -13.979 -9.074 1.00 0.00 C ATOM 1734 C LYS A 113 2.126 -14.369 -9.093 1.00 0.00 C ATOM 1735 O LYS A 113 2.561 -15.206 -8.305 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.254 -14.943 -9.848 1.00 0.00 C ATOM 1737 CG LYS A 113 0.110 -14.959 -11.335 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.517 -16.164 -12.040 1.00 0.00 C ATOM 1739 CE LYS A 113 0.408 -17.381 -11.971 1.00 0.00 C ATOM 1740 NZ LYS A 113 -0.266 -18.506 -11.285 1.00 0.00 N ATOM 0 H LYS A 113 -0.031 -12.552 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 113 0.315 -14.034 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.157 -15.947 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.297 -14.648 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.233 -14.038 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.194 -14.991 -11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.474 -16.403 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.720 -15.915 -13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.698 -17.682 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 113 1.324 -17.120 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.375 -19.324 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.521 -18.220 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.127 -18.766 -11.808 1.00 0.00 H new ATOM 1754 N TRP A 114 2.858 -13.742 -10.003 1.00 0.00 N ATOM 1755 CA TRP A 114 4.279 -14.013 -10.136 1.00 0.00 C ATOM 1756 C TRP A 114 5.031 -13.053 -9.213 1.00 0.00 C ATOM 1757 O TRP A 114 6.256 -12.958 -9.275 1.00 0.00 O ATOM 1758 CB TRP A 114 4.723 -13.909 -11.596 1.00 0.00 C ATOM 1759 CG TRP A 114 3.803 -14.636 -12.580 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.739 -14.145 -13.231 1.00 0.00 C ATOM 1761 CD2 TRP A 114 3.909 -16.013 -13.000 1.00 0.00 C ATOM 1762 NE1 TRP A 114 2.154 -15.101 -14.036 1.00 0.00 N ATOM 1763 CE2 TRP A 114 2.888 -16.273 -13.891 1.00 0.00 C ATOM 1764 CE3 TRP A 114 4.837 -17.005 -12.638 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 2.698 -17.521 -14.496 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 4.633 -18.247 -13.251 1.00 0.00 C ATOM 1767 CH2 TRP A 114 3.611 -18.525 -14.150 1.00 0.00 C ATOM 0 H TRP A 114 2.493 -13.047 -10.655 1.00 0.00 H new ATOM 0 HA TRP A 114 4.506 -15.036 -9.835 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.777 -12.857 -11.875 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.730 -14.315 -11.689 1.00 0.00 H new ATOM 0 HD1 TRP A 114 2.384 -13.129 -13.137 1.00 0.00 H new ATOM 0 HE1 TRP A 114 1.334 -14.972 -14.629 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.643 -16.823 -11.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 1.891 -17.700 -15.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.319 -19.045 -13.008 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.521 -19.511 -14.580 1.00 0.00 H new ATOM 1778 N GLY A 115 4.267 -12.365 -8.377 1.00 0.00 N ATOM 1779 CA GLY A 115 4.846 -11.415 -7.442 1.00 0.00 C ATOM 1780 C GLY A 115 4.415 -11.726 -6.007 1.00 0.00 C ATOM 1781 O GLY A 115 3.277 -12.126 -5.770 1.00 0.00 O ATOM 0 H GLY A 115 3.251 -12.447 -8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.933 -11.445 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.537 -10.404 -7.707 1.00 0.00 H new ATOM 1785 N ARG A 116 5.349 -11.530 -5.088 1.00 0.00 N ATOM 1786 CA ARG A 116 5.080 -11.785 -3.683 1.00 0.00 C ATOM 1787 C ARG A 116 5.755 -10.723 -2.812 1.00 0.00 C ATOM 1788 O ARG A 116 6.649 -10.015 -3.273 1.00 0.00 O ATOM 1789 CB ARG A 116 5.582 -13.169 -3.268 1.00 0.00 C ATOM 1790 CG ARG A 116 7.097 -13.280 -3.446 1.00 0.00 C ATOM 1791 CD ARG A 116 7.740 -13.986 -2.251 1.00 0.00 C ATOM 1792 NE ARG A 116 9.006 -14.631 -2.666 1.00 0.00 N ATOM 1793 CZ ARG A 116 9.594 -15.631 -1.996 1.00 0.00 C ATOM 1794 NH1 ARG A 116 9.035 -16.108 -0.876 1.00 0.00 N ATOM 1795 NH2 ARG A 116 10.742 -16.156 -2.447 1.00 0.00 N ATOM 0 H ARG A 116 6.292 -11.198 -5.289 1.00 0.00 H new ATOM 0 HA ARG A 116 4.000 -11.745 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.320 -13.357 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.085 -13.934 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.320 -13.830 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.527 -12.285 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 116 7.932 -13.268 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.056 -14.733 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 116 9.459 -14.293 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 116 8.161 -15.710 -0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 116 9.483 -16.869 -0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.168 -15.794 -3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 116 11.190 -16.917 -1.937 1.00 0.00 H new ATOM 1809 N ILE A 117 5.301 -10.646 -1.570 1.00 0.00 N ATOM 1810 CA ILE A 117 5.851 -9.683 -0.631 1.00 0.00 C ATOM 1811 C ILE A 117 7.190 -10.199 -0.102 1.00 0.00 C ATOM 1812 O ILE A 117 7.452 -11.401 -0.131 1.00 0.00 O ATOM 1813 CB ILE A 117 4.835 -9.368 0.470 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.626 -8.621 -0.097 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.493 -8.605 1.621 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.641 -8.250 1.014 1.00 0.00 C ATOM 0 H ILE A 117 4.559 -11.235 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 117 6.050 -8.735 -1.131 1.00 0.00 H new ATOM 0 HB ILE A 117 4.469 -10.310 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.959 -7.718 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.125 -9.242 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.749 -8.394 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.294 -9.209 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.905 -7.668 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.791 -7.720 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.292 -9.157 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.138 -7.609 1.742 1.00 0.00 H new ATOM 1828 N GLU A 118 8.004 -9.265 0.368 1.00 0.00 N ATOM 1829 CA GLU A 118 9.310 -9.611 0.902 1.00 0.00 C ATOM 1830 C GLU A 118 9.284 -9.580 2.432 1.00 0.00 C ATOM 1831 O GLU A 118 9.780 -10.497 3.083 1.00 0.00 O ATOM 1832 CB GLU A 118 10.391 -8.677 0.354 1.00 0.00 C ATOM 1833 CG GLU A 118 11.605 -8.637 1.285 1.00 0.00 C ATOM 1834 CD GLU A 118 12.910 -8.633 0.485 1.00 0.00 C ATOM 1835 OE1 GLU A 118 13.254 -7.550 -0.034 1.00 0.00 O ATOM 1836 OE2 GLU A 118 13.533 -9.714 0.412 1.00 0.00 O ATOM 0 H GLU A 118 7.784 -8.269 0.390 1.00 0.00 H new ATOM 0 HA GLU A 118 9.554 -10.624 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.699 -9.013 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.984 -7.673 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.557 -7.748 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.585 -9.499 1.951 1.00 0.00 H new ATOM 1843 N ALA A 119 8.699 -8.515 2.960 1.00 0.00 N ATOM 1844 CA ALA A 119 8.601 -8.352 4.401 1.00 0.00 C ATOM 1845 C ALA A 119 9.968 -7.951 4.958 1.00 0.00 C ATOM 1846 O ALA A 119 10.561 -8.686 5.746 1.00 0.00 O ATOM 1847 CB ALA A 119 8.073 -9.645 5.026 1.00 0.00 C ATOM 0 H ALA A 119 8.288 -7.756 2.416 1.00 0.00 H new ATOM 0 HA ALA A 119 7.897 -7.558 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.999 -9.523 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.088 -9.870 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.755 -10.464 4.799 1.00 0.00 H new ATOM 1853 N THR A 120 10.428 -6.785 4.528 1.00 0.00 N ATOM 1854 CA THR A 120 11.714 -6.277 4.975 1.00 0.00 C ATOM 1855 C THR A 120 11.931 -6.603 6.454 1.00 0.00 C ATOM 1856 O THR A 120 12.509 -7.637 6.787 1.00 0.00 O ATOM 1857 CB THR A 120 11.763 -4.779 4.669 1.00 0.00 C ATOM 1858 OG1 THR A 120 12.608 -4.245 5.684 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.417 -4.089 4.904 1.00 0.00 C ATOM 0 H THR A 120 9.933 -6.178 3.875 1.00 0.00 H new ATOM 0 HA THR A 120 12.536 -6.758 4.445 1.00 0.00 H new ATOM 0 HB THR A 120 12.072 -4.630 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 120 12.696 -3.277 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.507 -3.028 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.661 -4.538 4.261 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.124 -4.209 5.947 1.00 0.00 H new ATOM 1867 N GLY A 121 11.457 -5.702 7.301 1.00 0.00 N ATOM 1868 CA GLY A 121 11.592 -5.880 8.737 1.00 0.00 C ATOM 1869 C GLY A 121 11.387 -4.556 9.476 1.00 0.00 C ATOM 1870 O GLY A 121 10.841 -4.535 10.578 1.00 0.00 O ATOM 0 H GLY A 121 10.979 -4.846 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 121 10.864 -6.612 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 121 12.580 -6.279 8.966 1.00 0.00 H new ATOM 1874 N ALA A 122 11.835 -3.484 8.839 1.00 0.00 N ATOM 1875 CA ALA A 122 11.707 -2.159 9.422 1.00 0.00 C ATOM 1876 C ALA A 122 11.823 -1.107 8.317 1.00 0.00 C ATOM 1877 O ALA A 122 12.507 -1.324 7.318 1.00 0.00 O ATOM 1878 CB ALA A 122 12.763 -1.978 10.514 1.00 0.00 C ATOM 0 H ALA A 122 12.287 -3.506 7.925 1.00 0.00 H new ATOM 0 HA ALA A 122 10.730 -2.038 9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.667 -0.984 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.618 -2.731 11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 122 13.757 -2.090 10.081 1.00 0.00 H new ATOM 1884 N ALA A 123 11.144 0.010 8.534 1.00 0.00 N ATOM 1885 CA ALA A 123 11.163 1.096 7.570 1.00 0.00 C ATOM 1886 C ALA A 123 12.507 1.822 7.651 1.00 0.00 C ATOM 1887 O ALA A 123 13.303 1.769 6.714 1.00 0.00 O ATOM 1888 CB ALA A 123 9.979 2.031 7.830 1.00 0.00 C ATOM 0 H ALA A 123 10.577 0.186 9.364 1.00 0.00 H new ATOM 0 HA ALA A 123 11.058 0.710 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.993 2.846 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.047 1.474 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 123 10.052 2.439 8.838 1.00 0.00 H new ATOM 1894 N SER A 124 12.720 2.482 8.779 1.00 0.00 N ATOM 1895 CA SER A 124 13.955 3.218 8.995 1.00 0.00 C ATOM 1896 C SER A 124 13.840 4.620 8.394 1.00 0.00 C ATOM 1897 O SER A 124 14.711 5.463 8.606 1.00 0.00 O ATOM 1898 CB SER A 124 15.149 2.477 8.391 1.00 0.00 C ATOM 1899 OG SER A 124 15.003 1.063 8.483 1.00 0.00 O ATOM 0 H SER A 124 12.058 2.523 9.554 1.00 0.00 H new ATOM 0 HA SER A 124 14.120 3.303 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.261 2.762 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 124 16.061 2.781 8.904 1.00 0.00 H new ATOM 0 HG SER A 124 14.595 0.722 7.660 1.00 0.00 H new ATOM 1905 N PHE A 125 12.759 4.827 7.657 1.00 0.00 N ATOM 1906 CA PHE A 125 12.520 6.113 7.024 1.00 0.00 C ATOM 1907 C PHE A 125 11.127 6.643 7.370 1.00 0.00 C ATOM 1908 O PHE A 125 10.231 5.871 7.707 1.00 0.00 O ATOM 1909 CB PHE A 125 12.607 5.891 5.513 1.00 0.00 C ATOM 1910 CG PHE A 125 11.721 4.754 4.999 1.00 0.00 C ATOM 1911 CD1 PHE A 125 10.367 4.853 5.090 1.00 0.00 C ATOM 1912 CD2 PHE A 125 12.286 3.645 4.451 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.545 3.798 4.613 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.464 2.590 3.974 1.00 0.00 C ATOM 1915 CZ PHE A 125 10.111 2.689 4.065 1.00 0.00 C ATOM 0 H PHE A 125 12.039 4.126 7.484 1.00 0.00 H new ATOM 0 HA PHE A 125 13.253 6.841 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 125 12.328 6.814 5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.643 5.680 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.918 5.734 5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.361 3.567 4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.470 3.876 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.913 1.709 3.539 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.485 1.887 3.702 1.00 0.00 H new ATOM 1925 N THR A 126 10.989 7.958 7.275 1.00 0.00 N ATOM 1926 CA THR A 126 9.720 8.600 7.574 1.00 0.00 C ATOM 1927 C THR A 126 8.900 8.781 6.295 1.00 0.00 C ATOM 1928 O THR A 126 9.248 9.593 5.440 1.00 0.00 O ATOM 1929 CB THR A 126 10.016 9.916 8.297 1.00 0.00 C ATOM 1930 OG1 THR A 126 10.689 9.514 9.487 1.00 0.00 O ATOM 1931 CG2 THR A 126 8.746 10.604 8.802 1.00 0.00 C ATOM 0 H THR A 126 11.735 8.596 6.995 1.00 0.00 H new ATOM 0 HA THR A 126 9.108 7.981 8.230 1.00 0.00 H new ATOM 0 HB THR A 126 10.551 10.588 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.920 10.306 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 126 9.012 11.533 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 126 8.091 10.824 7.959 1.00 0.00 H new ATOM 0 HG23 THR A 126 8.229 9.946 9.500 1.00 0.00 H new ATOM 1939 N VAL A 127 7.826 8.011 6.206 1.00 0.00 N ATOM 1940 CA VAL A 127 6.953 8.076 5.046 1.00 0.00 C ATOM 1941 C VAL A 127 6.345 9.477 4.948 1.00 0.00 C ATOM 1942 O VAL A 127 6.112 10.128 5.965 1.00 0.00 O ATOM 1943 CB VAL A 127 5.897 6.971 5.123 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.851 7.134 4.018 1.00 0.00 C ATOM 1945 CG2 VAL A 127 6.547 5.587 5.062 1.00 0.00 C ATOM 0 H VAL A 127 7.540 7.339 6.918 1.00 0.00 H new ATOM 0 HA VAL A 127 7.520 7.903 4.132 1.00 0.00 H new ATOM 0 HB VAL A 127 5.388 7.061 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.113 6.336 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.355 8.099 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.339 7.083 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.775 4.820 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.094 5.483 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.236 5.471 5.899 1.00 0.00 H new ATOM 1955 N LYS A 128 6.107 9.899 3.715 1.00 0.00 N ATOM 1956 CA LYS A 128 5.532 11.210 3.471 1.00 0.00 C ATOM 1957 C LYS A 128 4.018 11.074 3.297 1.00 0.00 C ATOM 1958 O LYS A 128 3.517 11.060 2.173 1.00 0.00 O ATOM 1959 CB LYS A 128 6.227 11.890 2.290 1.00 0.00 C ATOM 1960 CG LYS A 128 5.440 13.115 1.820 1.00 0.00 C ATOM 1961 CD LYS A 128 6.346 14.344 1.722 1.00 0.00 C ATOM 1962 CE LYS A 128 6.935 14.480 0.316 1.00 0.00 C ATOM 1963 NZ LYS A 128 8.133 15.348 0.338 1.00 0.00 N ATOM 0 H LYS A 128 6.302 9.356 2.874 1.00 0.00 H new ATOM 0 HA LYS A 128 5.698 11.863 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 128 7.234 12.190 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 128 6.330 11.182 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.990 12.912 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 128 4.623 13.315 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 128 5.777 15.240 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 128 7.152 14.265 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.199 13.496 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.188 14.898 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.520 15.430 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.871 16.292 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.851 14.933 0.966 1.00 0.00 H new ATOM 1977 N GLU A 129 3.331 10.976 4.426 1.00 0.00 N ATOM 1978 CA GLU A 129 1.884 10.841 4.412 1.00 0.00 C ATOM 1979 C GLU A 129 1.233 12.147 3.951 1.00 0.00 C ATOM 1980 O GLU A 129 0.484 12.770 4.701 1.00 0.00 O ATOM 1981 CB GLU A 129 1.360 10.423 5.787 1.00 0.00 C ATOM 1982 CG GLU A 129 0.867 8.974 5.769 1.00 0.00 C ATOM 1983 CD GLU A 129 -0.489 8.847 6.465 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -0.477 8.663 7.702 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.507 8.937 5.746 1.00 0.00 O ATOM 0 H GLU A 129 3.749 10.987 5.356 1.00 0.00 H new ATOM 0 HA GLU A 129 1.618 10.056 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.150 10.533 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.547 11.084 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.785 8.627 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.595 8.332 6.264 1.00 0.00 H new ATOM 1992 N ASP A 130 1.543 12.522 2.719 1.00 0.00 N ATOM 1993 CA ASP A 130 0.998 13.743 2.149 1.00 0.00 C ATOM 1994 C ASP A 130 1.101 13.678 0.624 1.00 0.00 C ATOM 1995 O ASP A 130 0.160 14.038 -0.082 1.00 0.00 O ATOM 1996 CB ASP A 130 1.779 14.969 2.624 1.00 0.00 C ATOM 1997 CG ASP A 130 0.993 15.928 3.521 1.00 0.00 C ATOM 1998 OD1 ASP A 130 0.142 16.656 2.966 1.00 0.00 O ATOM 1999 OD2 ASP A 130 1.262 15.912 4.742 1.00 0.00 O ATOM 0 H ASP A 130 2.164 12.002 2.099 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.040 13.831 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.663 14.631 3.165 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.131 15.518 1.751 1.00 0.00 H new ATOM 2004 N ASN A 131 2.253 13.217 0.159 1.00 0.00 N ATOM 2005 CA ASN A 131 2.492 13.101 -1.269 1.00 0.00 C ATOM 2006 C ASN A 131 1.900 11.784 -1.776 1.00 0.00 C ATOM 2007 O ASN A 131 2.575 11.021 -2.464 1.00 0.00 O ATOM 2008 CB ASN A 131 3.990 13.097 -1.579 1.00 0.00 C ATOM 2009 CG ASN A 131 4.240 13.242 -3.082 1.00 0.00 C ATOM 2010 OD1 ASN A 131 4.819 12.182 -3.638 1.00 0.00 O flip ATOM 2011 ND2 ASN A 131 3.927 14.249 -3.695 1.00 0.00 N flip ATOM 0 H ASN A 131 3.032 12.919 0.747 1.00 0.00 H new ATOM 0 HA ASN A 131 2.025 13.955 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.477 13.913 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.437 12.170 -1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 131 3.485 15.027 -3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.107 14.313 -4.697 1.00 0.00 H new ATOM 2018 N ASN A 132 0.645 11.559 -1.415 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.045 10.348 -1.824 1.00 0.00 C ATOM 2020 C ASN A 132 -0.369 10.430 -3.317 1.00 0.00 C ATOM 2021 O ASN A 132 -0.683 11.503 -3.830 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.362 10.180 -1.063 1.00 0.00 C ATOM 2023 CG ASN A 132 -1.937 8.777 -1.265 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -1.509 8.019 -2.120 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.928 8.474 -0.431 1.00 0.00 N ATOM 0 H ASN A 132 0.088 12.195 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 132 0.606 9.501 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -1.198 10.360 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.081 10.924 -1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -3.378 7.560 -0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -3.238 9.155 0.262 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.281 9.282 -3.973 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.561 9.211 -5.397 1.00 0.00 C ATOM 2034 C LEU A 133 -1.810 8.357 -5.625 1.00 0.00 C ATOM 2035 O LEU A 133 -2.011 7.823 -6.715 1.00 0.00 O ATOM 2036 CB LEU A 133 0.669 8.716 -6.161 1.00 0.00 C ATOM 2037 CG LEU A 133 1.974 8.657 -5.364 1.00 0.00 C ATOM 2038 CD1 LEU A 133 3.028 7.825 -6.098 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.481 10.063 -5.036 1.00 0.00 C ATOM 0 H LEU A 133 -0.020 8.394 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.776 10.204 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.456 7.719 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.822 9.365 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 133 1.772 8.158 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.945 7.799 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.658 6.809 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.233 8.273 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.409 9.992 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.662 10.610 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.734 10.590 -4.443 1.00 0.00 H new ATOM 2051 N SER A 134 -2.617 8.255 -4.579 1.00 0.00 N ATOM 2052 CA SER A 134 -3.841 7.475 -4.651 1.00 0.00 C ATOM 2053 C SER A 134 -5.048 8.407 -4.773 1.00 0.00 C ATOM 2054 O SER A 134 -6.184 7.947 -4.882 1.00 0.00 O ATOM 2055 CB SER A 134 -3.990 6.570 -3.427 1.00 0.00 C ATOM 2056 OG SER A 134 -5.108 6.938 -2.624 1.00 0.00 O ATOM 0 H SER A 134 -2.447 8.700 -3.677 1.00 0.00 H new ATOM 0 HA SER A 134 -3.790 6.839 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.102 5.536 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.081 6.619 -2.827 1.00 0.00 H new ATOM 0 HG SER A 134 -4.927 6.712 -1.688 1.00 0.00 H new