USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1112 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 136 HIS : no HE2:sc= 0.468 K(o=0.47,f=-1!) USER MOD Set 2.1: A 30 TYR OH : rot 52:sc= 0.471 USER MOD Set 2.2: A 139 ASN : amide:sc= -0.895 K(o=-0.42,f=-7.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 26 GLN : amide:sc=-0.00681 X(o=-0.0068,f=-0.25) USER MOD Single : A 29 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000411) USER MOD Single : A 35 THR OG1 : rot -9:sc= -0.337 USER MOD Single : A 36 SER OG : rot 85:sc= 0.904 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00116) USER MOD Single : A 45 THR OG1 : rot 160:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.659 K(o=0.66,f=-0.75) USER MOD Single : A 56 MET CE :methyl -152:sc= -0.257 (180deg=-0.927) USER MOD Single : A 62 TYR OH : rot 45:sc= 0.215 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0.0845 (180deg=-0.0589) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 79 LYS NZ :NH3+ 130:sc= 0.0747 (180deg=0.0381) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc=-0.00238 (180deg=-0.0841) USER MOD Single : A 90 THR OG1 : rot -4:sc= 0.365 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= -0.341 (180deg=-0.344) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -134:sc= 0.615 USER MOD Single : A 110 SER OG : rot -45:sc= 0.33 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 117 THR OG1 : rot 113:sc= 0.839 USER MOD Single : A 118 THR OG1 : rot 6:sc= 1.24 USER MOD Single : A 119 CYS SG : rot -160:sc= -2.02 USER MOD Single : A 125 GLN : amide:sc= -0.136 K(o=-0.14,f=-3.3!) USER MOD Single : A 127 TYR OH : rot 30:sc= 0.647 USER MOD Single : A 134 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 135 LYS NZ :NH3+ -125:sc= 0.972 (180deg=-0.177) USER MOD Single : A 145 GLN : amide:sc= 0.191 X(o=0.19,f=-0.3) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N ILE A 15 11.629 8.807 -16.275 1.00 0.00 N ATOM 201 CA ILE A 15 10.373 8.553 -15.521 1.00 0.00 C ATOM 202 C ILE A 15 10.497 7.238 -14.716 1.00 0.00 C ATOM 203 O ILE A 15 10.311 7.227 -13.492 1.00 0.00 O ATOM 204 CB ILE A 15 9.110 8.494 -16.482 1.00 0.00 C ATOM 205 CG1 ILE A 15 8.820 9.893 -17.126 1.00 0.00 C ATOM 206 CG2 ILE A 15 7.843 7.943 -15.764 1.00 0.00 C ATOM 207 CD1 ILE A 15 8.368 10.967 -16.150 1.00 0.00 C ATOM 0 HA ILE A 15 10.222 9.385 -14.833 1.00 0.00 H new ATOM 0 HB ILE A 15 9.358 7.793 -17.279 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.722 10.238 -17.631 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.053 9.772 -17.891 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.008 7.923 -16.464 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.039 6.933 -15.404 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.594 8.587 -14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.192 11.898 -16.689 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.446 10.651 -15.662 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.141 11.124 -15.398 1.00 0.00 H new ATOM 219 N GLU A 16 10.850 6.149 -15.424 1.00 0.00 N ATOM 220 CA GLU A 16 11.018 4.815 -14.820 1.00 0.00 C ATOM 221 C GLU A 16 12.253 4.764 -13.906 1.00 0.00 C ATOM 222 O GLU A 16 12.235 4.065 -12.901 1.00 0.00 O ATOM 223 CB GLU A 16 11.138 3.728 -15.913 1.00 0.00 C ATOM 224 CG GLU A 16 9.900 3.560 -16.802 1.00 0.00 C ATOM 225 CD GLU A 16 10.085 2.427 -17.820 1.00 0.00 C ATOM 226 OE1 GLU A 16 10.719 2.656 -18.874 1.00 0.00 O ATOM 227 OE2 GLU A 16 9.638 1.292 -17.547 1.00 0.00 O ATOM 0 H GLU A 16 11.026 6.169 -16.428 1.00 0.00 H new ATOM 0 HA GLU A 16 10.132 4.620 -14.217 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.992 3.965 -16.547 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.353 2.774 -15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.030 3.352 -16.179 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.700 4.493 -17.328 1.00 0.00 H new ATOM 234 N LYS A 17 13.316 5.509 -14.274 1.00 0.00 N ATOM 235 CA LYS A 17 14.586 5.533 -13.516 1.00 0.00 C ATOM 236 C LYS A 17 14.390 6.148 -12.119 1.00 0.00 C ATOM 237 O LYS A 17 14.712 5.512 -11.101 1.00 0.00 O ATOM 238 CB LYS A 17 15.668 6.333 -14.288 1.00 0.00 C ATOM 239 CG LYS A 17 17.007 6.492 -13.531 1.00 0.00 C ATOM 240 CD LYS A 17 18.030 7.383 -14.268 1.00 0.00 C ATOM 241 CE LYS A 17 17.508 8.805 -14.553 1.00 0.00 C ATOM 242 NZ LYS A 17 18.532 9.635 -15.233 1.00 0.00 N ATOM 0 H LYS A 17 13.320 6.108 -15.100 1.00 0.00 H new ATOM 0 HA LYS A 17 14.917 4.501 -13.399 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.859 5.837 -15.240 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.275 7.323 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.810 6.917 -12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 17 17.444 5.506 -13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 17 18.939 7.450 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 17 18.302 6.908 -15.210 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.614 8.748 -15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.216 9.281 -13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.148 10.585 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.375 9.710 -14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.792 9.193 -16.138 1.00 0.00 H new ATOM 256 N GLN A 18 13.852 7.391 -12.087 1.00 0.00 N ATOM 257 CA GLN A 18 13.649 8.144 -10.830 1.00 0.00 C ATOM 258 C GLN A 18 12.660 7.389 -9.918 1.00 0.00 C ATOM 259 O GLN A 18 12.836 7.340 -8.707 1.00 0.00 O ATOM 260 CB GLN A 18 13.157 9.603 -11.107 1.00 0.00 C ATOM 261 CG GLN A 18 11.726 9.726 -11.694 1.00 0.00 C ATOM 262 CD GLN A 18 11.280 11.158 -12.033 1.00 0.00 C ATOM 263 OE1 GLN A 18 10.101 11.490 -11.927 1.00 0.00 O ATOM 264 NE2 GLN A 18 12.199 12.001 -12.490 1.00 0.00 N ATOM 0 H GLN A 18 13.550 7.893 -12.922 1.00 0.00 H new ATOM 0 HA GLN A 18 14.609 8.221 -10.319 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.197 10.165 -10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.855 10.079 -11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.668 9.120 -12.598 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.020 9.302 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.171 11.702 -12.569 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.933 12.947 -12.762 1.00 0.00 H new ATOM 273 N PHE A 19 11.644 6.776 -10.553 1.00 0.00 N ATOM 274 CA PHE A 19 10.643 5.927 -9.892 1.00 0.00 C ATOM 275 C PHE A 19 11.302 4.676 -9.282 1.00 0.00 C ATOM 276 O PHE A 19 11.060 4.357 -8.114 1.00 0.00 O ATOM 277 CB PHE A 19 9.525 5.550 -10.922 1.00 0.00 C ATOM 278 CG PHE A 19 8.732 4.268 -10.625 1.00 0.00 C ATOM 279 CD1 PHE A 19 8.044 4.108 -9.424 1.00 0.00 C ATOM 280 CD2 PHE A 19 8.700 3.212 -11.545 1.00 0.00 C ATOM 281 CE1 PHE A 19 7.351 2.941 -9.156 1.00 0.00 C ATOM 282 CE2 PHE A 19 8.006 2.049 -11.267 1.00 0.00 C ATOM 283 CZ PHE A 19 7.332 1.920 -10.073 1.00 0.00 C ATOM 0 H PHE A 19 11.496 6.860 -11.559 1.00 0.00 H new ATOM 0 HA PHE A 19 10.186 6.477 -9.069 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.822 6.381 -10.984 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.985 5.448 -11.905 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.052 4.904 -8.694 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.225 3.308 -12.484 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.822 2.833 -8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.992 1.243 -11.985 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.787 1.013 -9.858 1.00 0.00 H new ATOM 293 N ALA A 20 12.150 4.003 -10.076 1.00 0.00 N ATOM 294 CA ALA A 20 12.734 2.705 -9.710 1.00 0.00 C ATOM 295 C ALA A 20 13.558 2.830 -8.424 1.00 0.00 C ATOM 296 O ALA A 20 13.374 2.041 -7.492 1.00 0.00 O ATOM 297 CB ALA A 20 13.589 2.152 -10.856 1.00 0.00 C ATOM 0 H ALA A 20 12.449 4.344 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 20 11.921 2.002 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.012 1.191 -10.564 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.968 2.021 -11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.396 2.851 -11.078 1.00 0.00 H new ATOM 303 N VAL A 21 14.427 3.864 -8.368 1.00 0.00 N ATOM 304 CA VAL A 21 15.269 4.108 -7.192 1.00 0.00 C ATOM 305 C VAL A 21 14.399 4.443 -5.958 1.00 0.00 C ATOM 306 O VAL A 21 14.390 3.671 -5.008 1.00 0.00 O ATOM 307 CB VAL A 21 16.391 5.197 -7.451 1.00 0.00 C ATOM 308 CG1 VAL A 21 15.823 6.547 -7.938 1.00 0.00 C ATOM 309 CG2 VAL A 21 17.300 5.383 -6.205 1.00 0.00 C ATOM 0 H VAL A 21 14.558 4.536 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 21 15.807 3.183 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 21 17.006 4.812 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.641 7.250 -8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.285 6.399 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.142 6.947 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 18.058 6.137 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 21 16.695 5.706 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.786 4.437 -5.965 1.00 0.00 H new ATOM 319 N VAL A 22 13.577 5.517 -6.030 1.00 0.00 N ATOM 320 CA VAL A 22 12.829 6.038 -4.859 1.00 0.00 C ATOM 321 C VAL A 22 11.870 4.991 -4.243 1.00 0.00 C ATOM 322 O VAL A 22 11.688 4.947 -3.022 1.00 0.00 O ATOM 323 CB VAL A 22 12.021 7.342 -5.219 1.00 0.00 C ATOM 324 CG1 VAL A 22 12.963 8.488 -5.670 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.923 7.066 -6.277 1.00 0.00 C ATOM 0 H VAL A 22 13.414 6.041 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 22 13.586 6.279 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 22 11.518 7.668 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.372 9.372 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.659 8.725 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.521 8.174 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.389 7.991 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.384 6.687 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.222 6.326 -5.890 1.00 0.00 H new ATOM 335 N ALA A 23 11.299 4.130 -5.102 1.00 0.00 N ATOM 336 CA ALA A 23 10.264 3.167 -4.710 1.00 0.00 C ATOM 337 C ALA A 23 10.866 1.922 -4.035 1.00 0.00 C ATOM 338 O ALA A 23 10.297 1.407 -3.061 1.00 0.00 O ATOM 339 CB ALA A 23 9.434 2.798 -5.938 1.00 0.00 C ATOM 0 H ALA A 23 11.545 4.085 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 23 9.614 3.630 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.662 2.082 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.966 3.695 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.081 2.353 -6.694 1.00 0.00 H new ATOM 345 N VAL A 24 12.018 1.432 -4.549 1.00 0.00 N ATOM 346 CA VAL A 24 12.705 0.269 -3.945 1.00 0.00 C ATOM 347 C VAL A 24 13.455 0.688 -2.665 1.00 0.00 C ATOM 348 O VAL A 24 13.582 -0.115 -1.732 1.00 0.00 O ATOM 349 CB VAL A 24 13.680 -0.478 -4.935 1.00 0.00 C ATOM 350 CG1 VAL A 24 12.931 -0.933 -6.214 1.00 0.00 C ATOM 351 CG2 VAL A 24 14.935 0.368 -5.266 1.00 0.00 C ATOM 0 H VAL A 24 12.485 1.818 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 24 11.922 -0.446 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 24 14.039 -1.374 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.626 -1.445 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.123 -1.612 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.517 -0.062 -6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 24 15.577 -0.186 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.630 1.305 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 24 15.482 0.582 -4.348 1.00 0.00 H new ATOM 361 N GLU A 25 13.933 1.960 -2.625 1.00 0.00 N ATOM 362 CA GLU A 25 14.559 2.539 -1.422 1.00 0.00 C ATOM 363 C GLU A 25 13.527 2.621 -0.287 1.00 0.00 C ATOM 364 O GLU A 25 13.831 2.289 0.853 1.00 0.00 O ATOM 365 CB GLU A 25 15.168 3.949 -1.698 1.00 0.00 C ATOM 366 CG GLU A 25 16.350 3.968 -2.693 1.00 0.00 C ATOM 367 CD GLU A 25 17.542 3.081 -2.286 1.00 0.00 C ATOM 368 OE1 GLU A 25 18.308 3.483 -1.380 1.00 0.00 O ATOM 369 OE2 GLU A 25 17.731 1.991 -2.874 1.00 0.00 O ATOM 0 H GLU A 25 13.893 2.600 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 25 15.379 1.884 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.381 4.599 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.502 4.375 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.991 3.646 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.699 4.995 -2.804 1.00 0.00 H new ATOM 376 N GLN A 26 12.292 3.032 -0.638 1.00 0.00 N ATOM 377 CA GLN A 26 11.166 3.123 0.315 1.00 0.00 C ATOM 378 C GLN A 26 10.784 1.723 0.850 1.00 0.00 C ATOM 379 O GLN A 26 10.469 1.569 2.035 1.00 0.00 O ATOM 380 CB GLN A 26 9.936 3.794 -0.363 1.00 0.00 C ATOM 381 CG GLN A 26 8.729 4.058 0.575 1.00 0.00 C ATOM 382 CD GLN A 26 9.040 5.030 1.728 1.00 0.00 C ATOM 383 OE1 GLN A 26 9.859 5.944 1.591 1.00 0.00 O ATOM 384 NE2 GLN A 26 8.388 4.846 2.870 1.00 0.00 N ATOM 0 H GLN A 26 12.047 3.310 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 26 11.482 3.738 1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.253 4.742 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.605 3.161 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.904 4.459 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.391 3.110 0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.716 4.083 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.559 5.468 3.661 1.00 0.00 H new ATOM 393 N ALA A 27 10.835 0.718 -0.044 1.00 0.00 N ATOM 394 CA ALA A 27 10.480 -0.681 0.276 1.00 0.00 C ATOM 395 C ALA A 27 11.462 -1.304 1.297 1.00 0.00 C ATOM 396 O ALA A 27 11.042 -1.953 2.270 1.00 0.00 O ATOM 397 CB ALA A 27 10.437 -1.512 -1.017 1.00 0.00 C ATOM 0 H ALA A 27 11.124 0.852 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 27 9.493 -0.685 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.175 -2.543 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.690 -1.095 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.415 -1.488 -1.498 1.00 0.00 H new ATOM 403 N GLU A 28 12.772 -1.090 1.070 1.00 0.00 N ATOM 404 CA GLU A 28 13.833 -1.638 1.940 1.00 0.00 C ATOM 405 C GLU A 28 13.965 -0.822 3.242 1.00 0.00 C ATOM 406 O GLU A 28 14.394 -1.362 4.271 1.00 0.00 O ATOM 407 CB GLU A 28 15.186 -1.702 1.189 1.00 0.00 C ATOM 408 CG GLU A 28 15.776 -0.335 0.799 1.00 0.00 C ATOM 409 CD GLU A 28 17.062 -0.447 -0.025 1.00 0.00 C ATOM 410 OE1 GLU A 28 16.970 -0.567 -1.266 1.00 0.00 O ATOM 411 OE2 GLU A 28 18.165 -0.450 0.569 1.00 0.00 O ATOM 0 H GLU A 28 13.123 -0.538 0.287 1.00 0.00 H new ATOM 0 HA GLU A 28 13.548 -2.654 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.908 -2.228 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.055 -2.296 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.034 0.225 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.980 0.237 1.704 1.00 0.00 H new ATOM 418 N THR A 29 13.599 0.483 3.185 1.00 0.00 N ATOM 419 CA THR A 29 13.556 1.348 4.378 1.00 0.00 C ATOM 420 C THR A 29 12.417 0.882 5.307 1.00 0.00 C ATOM 421 O THR A 29 12.609 0.791 6.511 1.00 0.00 O ATOM 422 CB THR A 29 13.408 2.870 4.018 1.00 0.00 C ATOM 423 OG1 THR A 29 14.556 3.300 3.265 1.00 0.00 O ATOM 424 CG2 THR A 29 13.267 3.769 5.268 1.00 0.00 C ATOM 0 H THR A 29 13.330 0.955 2.321 1.00 0.00 H new ATOM 0 HA THR A 29 14.511 1.253 4.896 1.00 0.00 H new ATOM 0 HB THR A 29 12.495 2.971 3.432 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.471 2.996 2.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.168 4.809 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.382 3.472 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.151 3.660 5.896 1.00 0.00 H new ATOM 432 N TYR A 30 11.258 0.533 4.710 1.00 0.00 N ATOM 433 CA TYR A 30 10.116 -0.083 5.423 1.00 0.00 C ATOM 434 C TYR A 30 10.587 -1.318 6.227 1.00 0.00 C ATOM 435 O TYR A 30 10.300 -1.437 7.426 1.00 0.00 O ATOM 436 CB TYR A 30 8.993 -0.463 4.397 1.00 0.00 C ATOM 437 CG TYR A 30 8.003 -1.545 4.877 1.00 0.00 C ATOM 438 CD1 TYR A 30 6.966 -1.249 5.771 1.00 0.00 C ATOM 439 CD2 TYR A 30 8.129 -2.877 4.448 1.00 0.00 C ATOM 440 CE1 TYR A 30 6.107 -2.245 6.219 1.00 0.00 C ATOM 441 CE2 TYR A 30 7.271 -3.860 4.890 1.00 0.00 C ATOM 442 CZ TYR A 30 6.266 -3.544 5.771 1.00 0.00 C ATOM 443 OH TYR A 30 5.422 -4.537 6.215 1.00 0.00 O ATOM 0 H TYR A 30 11.086 0.671 3.714 1.00 0.00 H new ATOM 0 HA TYR A 30 9.703 0.635 6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.430 0.437 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.465 -0.808 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.833 -0.234 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.917 -3.136 3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.317 -2.006 6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.388 -4.877 4.545 1.00 0.00 H new ATOM 0 HH TYR A 30 4.492 -4.258 6.084 1.00 0.00 H new ATOM 453 N TRP A 31 11.338 -2.207 5.546 1.00 0.00 N ATOM 454 CA TRP A 31 11.866 -3.445 6.144 1.00 0.00 C ATOM 455 C TRP A 31 12.751 -3.131 7.371 1.00 0.00 C ATOM 456 O TRP A 31 12.481 -3.620 8.477 1.00 0.00 O ATOM 457 CB TRP A 31 12.661 -4.253 5.083 1.00 0.00 C ATOM 458 CG TRP A 31 13.187 -5.586 5.584 1.00 0.00 C ATOM 459 CD1 TRP A 31 14.390 -5.827 6.205 1.00 0.00 C ATOM 460 CD2 TRP A 31 12.515 -6.854 5.518 1.00 0.00 C ATOM 461 NE1 TRP A 31 14.496 -7.154 6.531 1.00 0.00 N ATOM 462 CE2 TRP A 31 13.364 -7.806 6.114 1.00 0.00 C ATOM 463 CE3 TRP A 31 11.278 -7.275 5.008 1.00 0.00 C ATOM 464 CZ2 TRP A 31 13.015 -9.150 6.215 1.00 0.00 C ATOM 465 CZ3 TRP A 31 10.932 -8.611 5.113 1.00 0.00 C ATOM 466 CH2 TRP A 31 11.800 -9.533 5.711 1.00 0.00 C ATOM 0 H TRP A 31 11.594 -2.085 4.566 1.00 0.00 H new ATOM 0 HA TRP A 31 11.026 -4.050 6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.019 -4.429 4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 31 13.501 -3.650 4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 31 15.142 -5.079 6.407 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.288 -7.586 7.006 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.607 -6.569 4.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 13.680 -9.866 6.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.980 -8.947 4.729 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.505 -10.570 5.776 1.00 0.00 H new ATOM 477 N LYS A 32 13.790 -2.283 7.169 1.00 0.00 N ATOM 478 CA LYS A 32 14.774 -1.975 8.227 1.00 0.00 C ATOM 479 C LYS A 32 14.150 -1.185 9.392 1.00 0.00 C ATOM 480 O LYS A 32 14.658 -1.237 10.514 1.00 0.00 O ATOM 481 CB LYS A 32 16.077 -1.307 7.664 1.00 0.00 C ATOM 482 CG LYS A 32 15.941 0.049 6.922 1.00 0.00 C ATOM 483 CD LYS A 32 15.584 1.252 7.828 1.00 0.00 C ATOM 484 CE LYS A 32 16.648 1.576 8.894 1.00 0.00 C ATOM 485 NZ LYS A 32 17.937 2.003 8.291 1.00 0.00 N ATOM 0 H LYS A 32 13.964 -1.804 6.286 1.00 0.00 H new ATOM 0 HA LYS A 32 15.089 -2.931 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.765 -1.164 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.546 -2.015 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.880 0.263 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.175 -0.049 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.433 2.132 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.636 1.049 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.276 2.365 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.814 0.697 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.616 2.226 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.316 1.235 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.783 2.847 7.703 1.00 0.00 H new ATOM 499 N LEU A 33 13.055 -0.449 9.115 1.00 0.00 N ATOM 500 CA LEU A 33 12.330 0.316 10.143 1.00 0.00 C ATOM 501 C LEU A 33 11.645 -0.641 11.127 1.00 0.00 C ATOM 502 O LEU A 33 11.701 -0.426 12.331 1.00 0.00 O ATOM 503 CB LEU A 33 11.296 1.291 9.503 1.00 0.00 C ATOM 504 CG LEU A 33 11.862 2.611 8.889 1.00 0.00 C ATOM 505 CD1 LEU A 33 10.735 3.479 8.269 1.00 0.00 C ATOM 506 CD2 LEU A 33 12.677 3.400 9.935 1.00 0.00 C ATOM 0 H LEU A 33 12.653 -0.370 8.181 1.00 0.00 H new ATOM 0 HA LEU A 33 13.052 0.922 10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.761 0.754 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.563 1.557 10.264 1.00 0.00 H new ATOM 0 HG LEU A 33 12.538 2.339 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.165 4.389 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.236 2.918 7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.011 3.741 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.060 4.315 9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.036 3.653 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.511 2.790 10.282 1.00 0.00 H new ATOM 518 N LEU A 34 11.019 -1.709 10.599 1.00 0.00 N ATOM 519 CA LEU A 34 10.372 -2.736 11.435 1.00 0.00 C ATOM 520 C LEU A 34 11.422 -3.564 12.211 1.00 0.00 C ATOM 521 O LEU A 34 11.245 -3.812 13.404 1.00 0.00 O ATOM 522 CB LEU A 34 9.423 -3.647 10.598 1.00 0.00 C ATOM 523 CG LEU A 34 7.968 -3.102 10.366 1.00 0.00 C ATOM 524 CD1 LEU A 34 7.947 -1.754 9.616 1.00 0.00 C ATOM 525 CD2 LEU A 34 7.089 -4.153 9.656 1.00 0.00 C ATOM 0 H LEU A 34 10.948 -1.883 9.596 1.00 0.00 H new ATOM 0 HA LEU A 34 9.752 -2.221 12.168 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.884 -3.820 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.352 -4.615 11.094 1.00 0.00 H new ATOM 0 HG LEU A 34 7.544 -2.912 11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.916 -1.427 9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.494 -1.008 10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.417 -1.873 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.087 -3.749 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.527 -4.400 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.031 -5.053 10.269 1.00 0.00 H new ATOM 537 N THR A 35 12.534 -3.954 11.547 1.00 0.00 N ATOM 538 CA THR A 35 13.610 -4.741 12.202 1.00 0.00 C ATOM 539 C THR A 35 14.271 -3.952 13.368 1.00 0.00 C ATOM 540 O THR A 35 14.688 -4.549 14.369 1.00 0.00 O ATOM 541 CB THR A 35 14.715 -5.203 11.187 1.00 0.00 C ATOM 542 OG1 THR A 35 15.369 -4.071 10.601 1.00 0.00 O ATOM 543 CG2 THR A 35 14.147 -6.095 10.066 1.00 0.00 C ATOM 0 H THR A 35 12.711 -3.740 10.566 1.00 0.00 H new ATOM 0 HA THR A 35 13.126 -5.630 12.606 1.00 0.00 H new ATOM 0 HB THR A 35 15.433 -5.792 11.758 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.890 -3.252 10.848 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.951 -6.387 9.391 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.698 -6.987 10.503 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.390 -5.543 9.510 1.00 0.00 H new ATOM 551 N SER A 36 14.337 -2.606 13.231 1.00 0.00 N ATOM 552 CA SER A 36 14.944 -1.718 14.254 1.00 0.00 C ATOM 553 C SER A 36 13.951 -1.432 15.397 1.00 0.00 C ATOM 554 O SER A 36 14.275 -1.620 16.576 1.00 0.00 O ATOM 555 CB SER A 36 15.423 -0.392 13.607 1.00 0.00 C ATOM 556 OG SER A 36 16.419 -0.637 12.624 1.00 0.00 O ATOM 0 H SER A 36 13.975 -2.108 12.417 1.00 0.00 H new ATOM 0 HA SER A 36 15.808 -2.231 14.677 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.576 0.122 13.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.821 0.270 14.376 1.00 0.00 H new ATOM 0 HG SER A 36 15.990 -0.859 11.772 1.00 0.00 H new ATOM 562 N VAL A 37 12.737 -0.974 15.033 1.00 0.00 N ATOM 563 CA VAL A 37 11.684 -0.576 15.995 1.00 0.00 C ATOM 564 C VAL A 37 10.360 -1.324 15.661 1.00 0.00 C ATOM 565 O VAL A 37 10.071 -1.555 14.487 1.00 0.00 O ATOM 566 CB VAL A 37 11.464 0.992 16.011 1.00 0.00 C ATOM 567 CG1 VAL A 37 12.753 1.737 16.442 1.00 0.00 C ATOM 568 CG2 VAL A 37 10.936 1.525 14.656 1.00 0.00 C ATOM 0 H VAL A 37 12.455 -0.868 14.058 1.00 0.00 H new ATOM 0 HA VAL A 37 12.010 -0.858 16.996 1.00 0.00 H new ATOM 0 HB VAL A 37 10.693 1.195 16.754 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.569 2.811 16.443 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.040 1.417 17.444 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.557 1.507 15.743 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.801 2.605 14.717 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.654 1.293 13.869 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.981 1.053 14.427 1.00 0.00 H new ATOM 578 N PRO A 38 9.508 -1.673 16.690 1.00 0.00 N ATOM 579 CA PRO A 38 8.372 -2.640 16.524 1.00 0.00 C ATOM 580 C PRO A 38 7.164 -2.136 15.682 1.00 0.00 C ATOM 581 O PRO A 38 6.110 -2.772 15.693 1.00 0.00 O ATOM 582 CB PRO A 38 7.966 -2.941 17.993 1.00 0.00 C ATOM 583 CG PRO A 38 8.319 -1.688 18.736 1.00 0.00 C ATOM 584 CD PRO A 38 9.591 -1.174 18.092 1.00 0.00 C ATOM 0 HA PRO A 38 8.687 -3.509 15.946 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.903 -3.166 18.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.505 -3.803 18.387 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.519 -0.952 18.664 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.471 -1.891 19.796 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.645 -0.086 18.127 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.478 -1.554 18.600 1.00 0.00 H new ATOM 592 N GLY A 39 7.318 -1.006 14.971 1.00 0.00 N ATOM 593 CA GLY A 39 6.307 -0.537 13.999 1.00 0.00 C ATOM 594 C GLY A 39 5.093 0.176 14.613 1.00 0.00 C ATOM 595 O GLY A 39 4.278 0.754 13.884 1.00 0.00 O ATOM 0 H GLY A 39 8.133 -0.398 15.049 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.790 0.141 13.296 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.953 -1.393 13.425 1.00 0.00 H new ATOM 599 N SER A 40 5.002 0.169 15.954 1.00 0.00 N ATOM 600 CA SER A 40 3.875 0.764 16.715 1.00 0.00 C ATOM 601 C SER A 40 3.898 2.312 16.672 1.00 0.00 C ATOM 602 O SER A 40 2.913 2.970 17.025 1.00 0.00 O ATOM 603 CB SER A 40 3.941 0.268 18.177 1.00 0.00 C ATOM 604 OG SER A 40 2.843 0.722 18.957 1.00 0.00 O ATOM 0 H SER A 40 5.713 -0.253 16.552 1.00 0.00 H new ATOM 0 HA SER A 40 2.941 0.447 16.251 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.963 -0.822 18.187 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.871 0.610 18.631 1.00 0.00 H new ATOM 0 HG SER A 40 2.929 0.382 19.872 1.00 0.00 H new ATOM 610 N LYS A 41 5.030 2.870 16.234 1.00 0.00 N ATOM 611 CA LYS A 41 5.259 4.329 16.157 1.00 0.00 C ATOM 612 C LYS A 41 5.393 4.778 14.690 1.00 0.00 C ATOM 613 O LYS A 41 5.510 5.978 14.408 1.00 0.00 O ATOM 614 CB LYS A 41 6.522 4.744 16.982 1.00 0.00 C ATOM 615 CG LYS A 41 7.884 4.156 16.516 1.00 0.00 C ATOM 616 CD LYS A 41 8.087 2.662 16.873 1.00 0.00 C ATOM 617 CE LYS A 41 8.032 2.376 18.387 1.00 0.00 C ATOM 618 NZ LYS A 41 9.113 3.073 19.140 1.00 0.00 N ATOM 0 H LYS A 41 5.828 2.320 15.917 1.00 0.00 H new ATOM 0 HA LYS A 41 4.395 4.831 16.593 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.597 5.831 16.965 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.362 4.451 18.020 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.967 4.274 15.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.690 4.738 16.963 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.321 2.070 16.372 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.050 2.332 16.484 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.063 2.688 18.777 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.112 1.302 18.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.042 2.835 20.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.039 2.770 18.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.013 4.101 19.019 1.00 0.00 H new ATOM 632 N LEU A 42 5.366 3.801 13.762 1.00 0.00 N ATOM 633 CA LEU A 42 5.522 4.047 12.322 1.00 0.00 C ATOM 634 C LEU A 42 4.135 4.127 11.665 1.00 0.00 C ATOM 635 O LEU A 42 3.443 3.111 11.525 1.00 0.00 O ATOM 636 CB LEU A 42 6.368 2.912 11.680 1.00 0.00 C ATOM 637 CG LEU A 42 7.789 2.684 12.296 1.00 0.00 C ATOM 638 CD1 LEU A 42 8.463 1.439 11.684 1.00 0.00 C ATOM 639 CD2 LEU A 42 8.680 3.945 12.156 1.00 0.00 C ATOM 0 H LEU A 42 5.235 2.817 13.995 1.00 0.00 H new ATOM 0 HA LEU A 42 6.041 4.993 12.166 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.807 1.980 11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.484 3.129 10.618 1.00 0.00 H new ATOM 0 HG LEU A 42 7.663 2.500 13.363 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.449 1.303 12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.851 0.559 11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.566 1.574 10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.659 3.750 12.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.798 4.192 11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.211 4.781 12.674 1.00 0.00 H new ATOM 651 N ARG A 43 3.732 5.352 11.313 1.00 0.00 N ATOM 652 CA ARG A 43 2.481 5.622 10.595 1.00 0.00 C ATOM 653 C ARG A 43 2.815 5.874 9.123 1.00 0.00 C ATOM 654 O ARG A 43 3.806 6.550 8.810 1.00 0.00 O ATOM 655 CB ARG A 43 1.718 6.841 11.197 1.00 0.00 C ATOM 656 CG ARG A 43 1.151 6.644 12.628 1.00 0.00 C ATOM 657 CD ARG A 43 2.237 6.622 13.717 1.00 0.00 C ATOM 658 NE ARG A 43 1.685 6.418 15.068 1.00 0.00 N ATOM 659 CZ ARG A 43 2.265 6.826 16.208 1.00 0.00 C ATOM 660 NH1 ARG A 43 3.405 7.518 16.192 1.00 0.00 N ATOM 661 NH2 ARG A 43 1.683 6.547 17.364 1.00 0.00 N ATOM 0 H ARG A 43 4.270 6.193 11.520 1.00 0.00 H new ATOM 0 HA ARG A 43 1.823 4.759 10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.392 7.698 11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.893 7.094 10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.445 7.446 12.845 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.592 5.709 12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.950 5.828 13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.789 7.562 13.693 1.00 0.00 H new ATOM 0 HE ARG A 43 0.793 5.929 15.143 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.851 7.746 15.303 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.831 7.820 17.068 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.805 6.028 17.381 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.113 6.851 18.238 1.00 0.00 H new ATOM 675 N LEU A 44 1.986 5.327 8.230 1.00 0.00 N ATOM 676 CA LEU A 44 2.208 5.363 6.781 1.00 0.00 C ATOM 677 C LEU A 44 2.060 6.804 6.245 1.00 0.00 C ATOM 678 O LEU A 44 2.843 7.255 5.401 1.00 0.00 O ATOM 679 CB LEU A 44 1.221 4.377 6.088 1.00 0.00 C ATOM 680 CG LEU A 44 1.540 2.845 6.207 1.00 0.00 C ATOM 681 CD1 LEU A 44 2.922 2.505 5.614 1.00 0.00 C ATOM 682 CD2 LEU A 44 1.390 2.316 7.657 1.00 0.00 C ATOM 0 H LEU A 44 1.130 4.840 8.496 1.00 0.00 H new ATOM 0 HA LEU A 44 3.226 5.045 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.227 4.548 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.176 4.632 5.029 1.00 0.00 H new ATOM 0 HG LEU A 44 0.791 2.324 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.108 1.436 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.943 2.779 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.694 3.059 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.622 1.251 7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.076 2.852 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.366 2.472 7.997 1.00 0.00 H new ATOM 694 N THR A 45 1.049 7.510 6.763 1.00 0.00 N ATOM 695 CA THR A 45 0.833 8.951 6.530 1.00 0.00 C ATOM 696 C THR A 45 0.383 9.606 7.848 1.00 0.00 C ATOM 697 O THR A 45 0.422 8.977 8.911 1.00 0.00 O ATOM 698 CB THR A 45 -0.243 9.214 5.411 1.00 0.00 C ATOM 699 OG1 THR A 45 -1.460 8.524 5.722 1.00 0.00 O ATOM 700 CG2 THR A 45 0.236 8.805 4.009 1.00 0.00 C ATOM 0 H THR A 45 0.342 7.092 7.368 1.00 0.00 H new ATOM 0 HA THR A 45 1.772 9.386 6.186 1.00 0.00 H new ATOM 0 HB THR A 45 -0.415 10.290 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.202 8.929 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.549 9.011 3.282 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.129 9.374 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.469 7.740 4.000 1.00 0.00 H new ATOM 708 N LYS A 46 -0.022 10.881 7.773 1.00 0.00 N ATOM 709 CA LYS A 46 -0.639 11.599 8.902 1.00 0.00 C ATOM 710 C LYS A 46 -2.134 11.217 9.026 1.00 0.00 C ATOM 711 O LYS A 46 -2.736 11.344 10.098 1.00 0.00 O ATOM 712 CB LYS A 46 -0.462 13.134 8.704 1.00 0.00 C ATOM 713 CG LYS A 46 -0.857 13.991 9.925 1.00 0.00 C ATOM 714 CD LYS A 46 -0.559 15.494 9.720 1.00 0.00 C ATOM 715 CE LYS A 46 -0.844 16.325 10.981 1.00 0.00 C ATOM 716 NZ LYS A 46 -0.443 17.746 10.813 1.00 0.00 N ATOM 0 H LYS A 46 0.068 11.446 6.929 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.144 11.312 9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.580 13.337 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.060 13.448 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.920 13.860 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.319 13.635 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.485 15.619 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.163 15.872 8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.907 16.274 11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.309 15.895 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.652 18.271 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.576 17.798 10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.972 18.165 10.022 1.00 0.00 H new ATOM 730 N PHE A 47 -2.709 10.721 7.913 1.00 0.00 N ATOM 731 CA PHE A 47 -4.145 10.390 7.799 1.00 0.00 C ATOM 732 C PHE A 47 -4.345 8.867 7.670 1.00 0.00 C ATOM 733 O PHE A 47 -5.427 8.416 7.314 1.00 0.00 O ATOM 734 CB PHE A 47 -4.746 11.133 6.564 1.00 0.00 C ATOM 735 CG PHE A 47 -4.490 12.635 6.587 1.00 0.00 C ATOM 736 CD1 PHE A 47 -5.223 13.469 7.426 1.00 0.00 C ATOM 737 CD2 PHE A 47 -3.500 13.208 5.794 1.00 0.00 C ATOM 738 CE1 PHE A 47 -4.977 14.824 7.471 1.00 0.00 C ATOM 739 CE2 PHE A 47 -3.251 14.564 5.843 1.00 0.00 C ATOM 740 CZ PHE A 47 -3.991 15.373 6.681 1.00 0.00 C ATOM 0 H PHE A 47 -2.185 10.536 7.058 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.662 10.716 8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.322 10.712 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.821 10.954 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.996 13.048 8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.919 12.583 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.558 15.456 8.126 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.476 14.993 5.225 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.797 16.435 6.717 1.00 0.00 H new ATOM 750 N ASP A 48 -3.311 8.081 8.022 1.00 0.00 N ATOM 751 CA ASP A 48 -3.257 6.625 7.730 1.00 0.00 C ATOM 752 C ASP A 48 -4.382 5.835 8.439 1.00 0.00 C ATOM 753 O ASP A 48 -4.933 4.888 7.869 1.00 0.00 O ATOM 754 CB ASP A 48 -1.863 6.049 8.101 1.00 0.00 C ATOM 755 CG ASP A 48 -1.567 6.053 9.608 1.00 0.00 C ATOM 756 OD1 ASP A 48 -1.567 7.143 10.205 1.00 0.00 O ATOM 757 OD2 ASP A 48 -1.327 4.972 10.194 1.00 0.00 O ATOM 0 H ASP A 48 -2.489 8.430 8.515 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.417 6.507 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.793 5.026 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.094 6.627 7.588 1.00 0.00 H new ATOM 762 N ASP A 49 -4.735 6.258 9.664 1.00 0.00 N ATOM 763 CA ASP A 49 -5.784 5.597 10.469 1.00 0.00 C ATOM 764 C ASP A 49 -7.156 5.702 9.765 1.00 0.00 C ATOM 765 O ASP A 49 -7.895 4.709 9.659 1.00 0.00 O ATOM 766 CB ASP A 49 -5.847 6.206 11.893 1.00 0.00 C ATOM 767 CG ASP A 49 -6.753 5.408 12.851 1.00 0.00 C ATOM 768 OD1 ASP A 49 -6.268 4.436 13.470 1.00 0.00 O ATOM 769 OD2 ASP A 49 -7.949 5.746 12.995 1.00 0.00 O ATOM 0 H ASP A 49 -4.307 7.061 10.124 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.530 4.541 10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.840 6.251 12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.211 7.231 11.828 1.00 0.00 H new ATOM 774 N GLU A 50 -7.471 6.910 9.250 1.00 0.00 N ATOM 775 CA GLU A 50 -8.739 7.151 8.540 1.00 0.00 C ATOM 776 C GLU A 50 -8.708 6.524 7.131 1.00 0.00 C ATOM 777 O GLU A 50 -9.761 6.192 6.595 1.00 0.00 O ATOM 778 CB GLU A 50 -9.103 8.663 8.451 1.00 0.00 C ATOM 779 CG GLU A 50 -8.291 9.476 7.425 1.00 0.00 C ATOM 780 CD GLU A 50 -8.852 10.871 7.161 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.962 10.963 6.595 1.00 0.00 O ATOM 782 OE2 GLU A 50 -8.183 11.880 7.482 1.00 0.00 O ATOM 0 H GLU A 50 -6.865 7.728 9.314 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.519 6.668 9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.161 8.751 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.967 9.111 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.264 9.569 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.255 8.925 6.485 1.00 0.00 H new ATOM 789 N ILE A 51 -7.499 6.371 6.526 1.00 0.00 N ATOM 790 CA ILE A 51 -7.364 5.695 5.213 1.00 0.00 C ATOM 791 C ILE A 51 -7.838 4.231 5.328 1.00 0.00 C ATOM 792 O ILE A 51 -8.507 3.722 4.427 1.00 0.00 O ATOM 793 CB ILE A 51 -5.900 5.770 4.615 1.00 0.00 C ATOM 794 CG1 ILE A 51 -5.475 7.254 4.362 1.00 0.00 C ATOM 795 CG2 ILE A 51 -5.776 4.944 3.304 1.00 0.00 C ATOM 796 CD1 ILE A 51 -4.053 7.444 3.837 1.00 0.00 C ATOM 0 H ILE A 51 -6.619 6.702 6.921 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.000 6.233 4.510 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.226 5.335 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.170 7.698 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.578 7.808 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.758 5.019 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.011 3.900 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.472 5.334 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.857 8.507 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.342 7.037 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.944 6.924 2.885 1.00 0.00 H new ATOM 808 N TYR A 52 -7.518 3.596 6.473 1.00 0.00 N ATOM 809 CA TYR A 52 -8.032 2.260 6.840 1.00 0.00 C ATOM 810 C TYR A 52 -9.575 2.272 6.891 1.00 0.00 C ATOM 811 O TYR A 52 -10.229 1.417 6.281 1.00 0.00 O ATOM 812 CB TYR A 52 -7.448 1.825 8.216 1.00 0.00 C ATOM 813 CG TYR A 52 -7.995 0.495 8.765 1.00 0.00 C ATOM 814 CD1 TYR A 52 -7.443 -0.729 8.381 1.00 0.00 C ATOM 815 CD2 TYR A 52 -9.068 0.466 9.665 1.00 0.00 C ATOM 816 CE1 TYR A 52 -7.937 -1.922 8.868 1.00 0.00 C ATOM 817 CE2 TYR A 52 -9.562 -0.725 10.153 1.00 0.00 C ATOM 818 CZ TYR A 52 -8.996 -1.918 9.751 1.00 0.00 C ATOM 819 OH TYR A 52 -9.482 -3.113 10.240 1.00 0.00 O ATOM 0 H TYR A 52 -6.893 3.997 7.173 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.718 1.543 6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.365 1.745 8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.649 2.611 8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.613 -0.742 7.690 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.517 1.395 9.983 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.495 -2.857 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -10.389 -0.725 10.848 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.228 -2.937 10.851 1.00 0.00 H new ATOM 829 N GLU A 53 -10.134 3.259 7.633 1.00 0.00 N ATOM 830 CA GLU A 53 -11.596 3.366 7.862 1.00 0.00 C ATOM 831 C GLU A 53 -12.368 3.537 6.533 1.00 0.00 C ATOM 832 O GLU A 53 -13.164 2.677 6.168 1.00 0.00 O ATOM 833 CB GLU A 53 -11.928 4.546 8.814 1.00 0.00 C ATOM 834 CG GLU A 53 -11.191 4.513 10.160 1.00 0.00 C ATOM 835 CD GLU A 53 -11.626 5.647 11.106 1.00 0.00 C ATOM 836 OE1 GLU A 53 -11.267 6.814 10.849 1.00 0.00 O ATOM 837 OE2 GLU A 53 -12.352 5.382 12.097 1.00 0.00 O ATOM 0 H GLU A 53 -9.592 3.995 8.085 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.914 2.434 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.689 5.481 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.001 4.551 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.371 3.553 10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.118 4.585 9.983 1.00 0.00 H new ATOM 844 N ASN A 54 -12.086 4.632 5.799 1.00 0.00 N ATOM 845 CA ASN A 54 -12.782 4.968 4.532 1.00 0.00 C ATOM 846 C ASN A 54 -12.614 3.863 3.469 1.00 0.00 C ATOM 847 O ASN A 54 -13.499 3.669 2.634 1.00 0.00 O ATOM 848 CB ASN A 54 -12.311 6.335 3.962 1.00 0.00 C ATOM 849 CG ASN A 54 -12.675 7.527 4.854 1.00 0.00 C ATOM 850 OD1 ASN A 54 -13.794 8.039 4.801 1.00 0.00 O ATOM 851 ND2 ASN A 54 -11.728 8.001 5.653 1.00 0.00 N ATOM 0 H ASN A 54 -11.371 5.310 6.064 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.842 5.044 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.230 6.310 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.753 6.480 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.918 8.810 6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.810 7.556 5.676 1.00 0.00 H new ATOM 858 N PHE A 55 -11.484 3.130 3.518 1.00 0.00 N ATOM 859 CA PHE A 55 -11.245 2.002 2.599 1.00 0.00 C ATOM 860 C PHE A 55 -12.194 0.829 2.941 1.00 0.00 C ATOM 861 O PHE A 55 -12.806 0.267 2.050 1.00 0.00 O ATOM 862 CB PHE A 55 -9.753 1.551 2.642 1.00 0.00 C ATOM 863 CG PHE A 55 -9.237 0.723 1.444 1.00 0.00 C ATOM 864 CD1 PHE A 55 -10.056 0.342 0.382 1.00 0.00 C ATOM 865 CD2 PHE A 55 -7.898 0.361 1.378 1.00 0.00 C ATOM 866 CE1 PHE A 55 -9.554 -0.374 -0.692 1.00 0.00 C ATOM 867 CE2 PHE A 55 -7.398 -0.360 0.306 1.00 0.00 C ATOM 868 CZ PHE A 55 -8.226 -0.723 -0.728 1.00 0.00 C ATOM 0 H PHE A 55 -10.727 3.298 4.181 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.457 2.331 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.132 2.442 2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.602 0.966 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.102 0.610 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.233 0.647 2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.208 -0.659 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.354 -0.637 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.834 -1.281 -1.566 1.00 0.00 H new ATOM 878 N MET A 56 -12.336 0.487 4.245 1.00 0.00 N ATOM 879 CA MET A 56 -13.200 -0.650 4.674 1.00 0.00 C ATOM 880 C MET A 56 -14.702 -0.287 4.619 1.00 0.00 C ATOM 881 O MET A 56 -15.561 -1.179 4.604 1.00 0.00 O ATOM 882 CB MET A 56 -12.805 -1.175 6.088 1.00 0.00 C ATOM 883 CG MET A 56 -13.013 -0.213 7.253 1.00 0.00 C ATOM 884 SD MET A 56 -12.646 -0.979 8.847 1.00 0.00 S ATOM 885 CE MET A 56 -13.794 -2.364 8.873 1.00 0.00 C ATOM 0 H MET A 56 -11.872 0.973 5.012 1.00 0.00 H new ATOM 0 HA MET A 56 -13.031 -1.457 3.961 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.377 -2.081 6.288 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.753 -1.460 6.065 1.00 0.00 H new ATOM 0 HG2 MET A 56 -12.377 0.662 7.117 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.044 0.140 7.251 1.00 0.00 H new ATOM 0 HE1 MET A 56 -14.046 -2.609 9.905 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.701 -2.095 8.332 1.00 0.00 H new ATOM 0 HE3 MET A 56 -13.331 -3.229 8.398 1.00 0.00 H new ATOM 895 N GLU A 57 -15.003 1.028 4.591 1.00 0.00 N ATOM 896 CA GLU A 57 -16.383 1.543 4.474 1.00 0.00 C ATOM 897 C GLU A 57 -16.877 1.471 3.013 1.00 0.00 C ATOM 898 O GLU A 57 -17.981 0.988 2.748 1.00 0.00 O ATOM 899 CB GLU A 57 -16.470 2.999 5.008 1.00 0.00 C ATOM 900 CG GLU A 57 -16.253 3.148 6.524 1.00 0.00 C ATOM 901 CD GLU A 57 -16.325 4.613 6.991 1.00 0.00 C ATOM 902 OE1 GLU A 57 -15.300 5.323 6.925 1.00 0.00 O ATOM 903 OE2 GLU A 57 -17.419 5.069 7.392 1.00 0.00 O ATOM 0 H GLU A 57 -14.297 1.762 4.649 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.032 0.913 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.728 3.606 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.449 3.406 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.005 2.564 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.281 2.733 6.791 1.00 0.00 H new ATOM 910 N ARG A 58 -16.047 1.960 2.074 1.00 0.00 N ATOM 911 CA ARG A 58 -16.406 2.023 0.633 1.00 0.00 C ATOM 912 C ARG A 58 -16.075 0.697 -0.082 1.00 0.00 C ATOM 913 O ARG A 58 -16.677 0.368 -1.113 1.00 0.00 O ATOM 914 CB ARG A 58 -15.707 3.233 -0.069 1.00 0.00 C ATOM 915 CG ARG A 58 -16.336 4.623 0.251 1.00 0.00 C ATOM 916 CD ARG A 58 -16.160 5.066 1.719 1.00 0.00 C ATOM 917 NE ARG A 58 -17.011 6.213 2.084 1.00 0.00 N ATOM 918 CZ ARG A 58 -17.104 6.742 3.316 1.00 0.00 C ATOM 919 NH1 ARG A 58 -16.323 6.320 4.309 1.00 0.00 N ATOM 920 NH2 ARG A 58 -17.963 7.719 3.538 1.00 0.00 N ATOM 0 H ARG A 58 -15.116 2.321 2.283 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.483 2.176 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.657 3.248 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.735 3.076 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.887 5.373 -0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.400 4.592 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.391 4.227 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.116 5.327 1.891 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.572 6.637 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.639 5.582 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.409 6.734 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.549 8.066 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.041 8.127 4.469 1.00 0.00 H new ATOM 934 N PHE A 59 -15.110 -0.055 0.474 1.00 0.00 N ATOM 935 CA PHE A 59 -14.678 -1.369 -0.056 1.00 0.00 C ATOM 936 C PHE A 59 -14.725 -2.396 1.092 1.00 0.00 C ATOM 937 O PHE A 59 -13.717 -2.616 1.778 1.00 0.00 O ATOM 938 CB PHE A 59 -13.248 -1.290 -0.663 1.00 0.00 C ATOM 939 CG PHE A 59 -13.083 -0.237 -1.757 1.00 0.00 C ATOM 940 CD1 PHE A 59 -12.860 1.109 -1.439 1.00 0.00 C ATOM 941 CD2 PHE A 59 -13.153 -0.587 -3.097 1.00 0.00 C ATOM 942 CE1 PHE A 59 -12.712 2.060 -2.427 1.00 0.00 C ATOM 943 CE2 PHE A 59 -13.002 0.365 -4.078 1.00 0.00 C ATOM 944 CZ PHE A 59 -12.784 1.686 -3.748 1.00 0.00 C ATOM 0 H PHE A 59 -14.601 0.230 1.311 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.350 -1.674 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.538 -1.079 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.986 -2.266 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.803 1.407 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.328 -1.616 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.540 3.093 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.055 0.075 -5.117 1.00 0.00 H new ATOM 0 HZ PHE A 59 -12.670 2.426 -4.526 1.00 0.00 H new ATOM 954 N PRO A 60 -15.914 -3.017 1.351 1.00 0.00 N ATOM 955 CA PRO A 60 -16.075 -3.990 2.451 1.00 0.00 C ATOM 956 C PRO A 60 -15.639 -5.419 2.051 1.00 0.00 C ATOM 957 O PRO A 60 -15.989 -6.392 2.720 1.00 0.00 O ATOM 958 CB PRO A 60 -17.592 -3.899 2.739 1.00 0.00 C ATOM 959 CG PRO A 60 -18.205 -3.657 1.388 1.00 0.00 C ATOM 960 CD PRO A 60 -17.197 -2.821 0.610 1.00 0.00 C ATOM 0 HA PRO A 60 -15.450 -3.771 3.317 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -17.969 -4.817 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -17.819 -3.088 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -18.407 -4.599 0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -19.157 -3.134 1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -17.115 -3.155 -0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -17.486 -1.770 0.584 1.00 0.00 H new ATOM 968 N GLU A 61 -14.910 -5.535 0.931 1.00 0.00 N ATOM 969 CA GLU A 61 -14.150 -6.750 0.603 1.00 0.00 C ATOM 970 C GLU A 61 -12.767 -6.668 1.281 1.00 0.00 C ATOM 971 O GLU A 61 -12.267 -7.657 1.804 1.00 0.00 O ATOM 972 CB GLU A 61 -14.018 -6.916 -0.938 1.00 0.00 C ATOM 973 CG GLU A 61 -13.344 -5.729 -1.664 1.00 0.00 C ATOM 974 CD GLU A 61 -13.142 -5.971 -3.167 1.00 0.00 C ATOM 975 OE1 GLU A 61 -12.246 -6.762 -3.530 1.00 0.00 O ATOM 976 OE2 GLU A 61 -13.873 -5.375 -3.992 1.00 0.00 O ATOM 0 H GLU A 61 -14.831 -4.796 0.233 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.678 -7.628 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.447 -7.821 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.012 -7.064 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.952 -4.835 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.377 -5.531 -1.202 1.00 0.00 H new ATOM 983 N TYR A 62 -12.207 -5.445 1.309 1.00 0.00 N ATOM 984 CA TYR A 62 -10.860 -5.155 1.835 1.00 0.00 C ATOM 985 C TYR A 62 -10.770 -5.435 3.351 1.00 0.00 C ATOM 986 O TYR A 62 -9.711 -5.831 3.835 1.00 0.00 O ATOM 987 CB TYR A 62 -10.478 -3.671 1.481 1.00 0.00 C ATOM 988 CG TYR A 62 -9.616 -2.928 2.518 1.00 0.00 C ATOM 989 CD1 TYR A 62 -10.215 -2.205 3.549 1.00 0.00 C ATOM 990 CD2 TYR A 62 -8.224 -2.946 2.473 1.00 0.00 C ATOM 991 CE1 TYR A 62 -9.475 -1.537 4.491 1.00 0.00 C ATOM 992 CE2 TYR A 62 -7.470 -2.274 3.421 1.00 0.00 C ATOM 993 CZ TYR A 62 -8.100 -1.567 4.424 1.00 0.00 C ATOM 994 OH TYR A 62 -7.349 -0.884 5.353 1.00 0.00 O ATOM 0 H TYR A 62 -12.687 -4.615 0.960 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.138 -5.822 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.946 -3.671 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.398 -3.106 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.293 -2.170 3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.725 -3.492 1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.968 -0.990 5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.391 -2.304 3.375 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.711 -1.046 6.249 1.00 0.00 H new ATOM 1004 N LYS A 63 -11.885 -5.211 4.086 1.00 0.00 N ATOM 1005 CA LYS A 63 -11.944 -5.419 5.557 1.00 0.00 C ATOM 1006 C LYS A 63 -11.504 -6.854 5.954 1.00 0.00 C ATOM 1007 O LYS A 63 -10.980 -7.071 7.055 1.00 0.00 O ATOM 1008 CB LYS A 63 -13.373 -5.137 6.096 1.00 0.00 C ATOM 1009 CG LYS A 63 -14.450 -6.090 5.537 1.00 0.00 C ATOM 1010 CD LYS A 63 -15.813 -5.994 6.253 1.00 0.00 C ATOM 1011 CE LYS A 63 -16.801 -7.063 5.746 1.00 0.00 C ATOM 1012 NZ LYS A 63 -18.050 -7.093 6.540 1.00 0.00 N ATOM 0 H LYS A 63 -12.763 -4.884 3.683 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.246 -4.714 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.363 -5.214 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.647 -4.111 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.593 -5.877 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.085 -7.115 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.669 -6.112 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.238 -5.002 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.042 -6.866 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.325 -8.043 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.684 -7.826 6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.825 -7.307 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.520 -6.167 6.483 1.00 0.00 H new ATOM 1026 N ASP A 64 -11.725 -7.810 5.025 1.00 0.00 N ATOM 1027 CA ASP A 64 -11.271 -9.199 5.150 1.00 0.00 C ATOM 1028 C ASP A 64 -9.741 -9.235 5.222 1.00 0.00 C ATOM 1029 O ASP A 64 -9.056 -8.678 4.350 1.00 0.00 O ATOM 1030 CB ASP A 64 -11.752 -10.046 3.935 1.00 0.00 C ATOM 1031 CG ASP A 64 -13.284 -10.195 3.794 1.00 0.00 C ATOM 1032 OD1 ASP A 64 -14.027 -9.224 4.067 1.00 0.00 O ATOM 1033 OD2 ASP A 64 -13.756 -11.296 3.408 1.00 0.00 O ATOM 0 H ASP A 64 -12.231 -7.629 4.158 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.694 -9.622 6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.363 -9.595 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.313 -11.041 4.011 1.00 0.00 H new ATOM 1038 N VAL A 65 -9.226 -9.893 6.271 1.00 0.00 N ATOM 1039 CA VAL A 65 -7.782 -10.073 6.483 1.00 0.00 C ATOM 1040 C VAL A 65 -7.161 -10.841 5.299 1.00 0.00 C ATOM 1041 O VAL A 65 -6.036 -10.562 4.905 1.00 0.00 O ATOM 1042 CB VAL A 65 -7.484 -10.811 7.843 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -5.966 -11.076 8.045 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -8.081 -10.018 9.034 1.00 0.00 C ATOM 0 H VAL A 65 -9.801 -10.317 6.999 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.325 -9.085 6.540 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.969 -11.786 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.809 -11.586 8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.594 -11.700 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.429 -10.128 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.866 -10.543 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.638 -9.023 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.160 -9.930 8.908 1.00 0.00 H new ATOM 1054 N GLU A 66 -7.950 -11.761 4.712 1.00 0.00 N ATOM 1055 CA GLU A 66 -7.563 -12.573 3.539 1.00 0.00 C ATOM 1056 C GLU A 66 -7.191 -11.709 2.307 1.00 0.00 C ATOM 1057 O GLU A 66 -6.317 -12.088 1.519 1.00 0.00 O ATOM 1058 CB GLU A 66 -8.725 -13.544 3.187 1.00 0.00 C ATOM 1059 CG GLU A 66 -9.040 -14.582 4.284 1.00 0.00 C ATOM 1060 CD GLU A 66 -7.861 -15.535 4.560 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -7.653 -16.476 3.760 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -7.133 -15.344 5.560 1.00 0.00 O ATOM 0 H GLU A 66 -8.892 -11.966 5.045 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.667 -13.134 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.623 -12.960 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.476 -14.071 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.304 -14.062 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.911 -15.166 3.986 1.00 0.00 H new ATOM 1069 N ARG A 67 -7.855 -10.556 2.166 1.00 0.00 N ATOM 1070 CA ARG A 67 -7.654 -9.644 1.022 1.00 0.00 C ATOM 1071 C ARG A 67 -6.403 -8.763 1.207 1.00 0.00 C ATOM 1072 O ARG A 67 -5.731 -8.418 0.228 1.00 0.00 O ATOM 1073 CB ARG A 67 -8.916 -8.766 0.835 1.00 0.00 C ATOM 1074 CG ARG A 67 -10.197 -9.553 0.483 1.00 0.00 C ATOM 1075 CD ARG A 67 -10.150 -10.200 -0.906 1.00 0.00 C ATOM 1076 NE ARG A 67 -11.407 -10.917 -1.228 1.00 0.00 N ATOM 1077 CZ ARG A 67 -12.196 -10.665 -2.285 1.00 0.00 C ATOM 1078 NH1 ARG A 67 -11.932 -9.652 -3.108 1.00 0.00 N ATOM 1079 NH2 ARG A 67 -13.268 -11.419 -2.498 1.00 0.00 N ATOM 0 H ARG A 67 -8.547 -10.225 2.838 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.493 -10.246 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.091 -8.203 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.723 -8.038 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.356 -10.329 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.053 -8.881 0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.968 -9.432 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.313 -10.897 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.696 -11.663 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.122 -9.056 -2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.540 -9.472 -3.907 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.488 -12.184 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.871 -11.233 -3.299 1.00 0.00 H new ATOM 1093 N VAL A 68 -6.102 -8.402 2.465 1.00 0.00 N ATOM 1094 CA VAL A 68 -4.990 -7.481 2.783 1.00 0.00 C ATOM 1095 C VAL A 68 -3.669 -8.230 3.011 1.00 0.00 C ATOM 1096 O VAL A 68 -2.601 -7.686 2.732 1.00 0.00 O ATOM 1097 CB VAL A 68 -5.328 -6.566 4.018 1.00 0.00 C ATOM 1098 CG1 VAL A 68 -6.566 -5.712 3.712 1.00 0.00 C ATOM 1099 CG2 VAL A 68 -5.530 -7.370 5.322 1.00 0.00 C ATOM 0 H VAL A 68 -6.613 -8.733 3.283 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.861 -6.839 1.912 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.468 -5.917 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.794 -5.081 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.369 -5.084 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.415 -6.363 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.760 -6.686 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.354 -8.072 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.618 -7.920 5.555 1.00 0.00 H new ATOM 1109 N LYS A 69 -3.747 -9.483 3.511 1.00 0.00 N ATOM 1110 CA LYS A 69 -2.546 -10.299 3.786 1.00 0.00 C ATOM 1111 C LYS A 69 -1.919 -10.784 2.471 1.00 0.00 C ATOM 1112 O LYS A 69 -0.716 -10.997 2.408 1.00 0.00 O ATOM 1113 CB LYS A 69 -2.867 -11.509 4.707 1.00 0.00 C ATOM 1114 CG LYS A 69 -3.788 -12.574 4.078 1.00 0.00 C ATOM 1115 CD LYS A 69 -4.009 -13.807 4.976 1.00 0.00 C ATOM 1116 CE LYS A 69 -2.698 -14.528 5.316 1.00 0.00 C ATOM 1117 NZ LYS A 69 -2.930 -15.755 6.113 1.00 0.00 N ATOM 0 H LYS A 69 -4.627 -9.949 3.731 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.832 -9.665 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.930 -11.985 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.333 -11.139 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.754 -12.121 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.360 -12.898 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.500 -13.497 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.683 -14.502 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.177 -14.788 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.046 -13.853 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.019 -16.211 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.404 -15.505 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.531 -16.411 5.574 1.00 0.00 H new ATOM 1131 N LYS A 70 -2.756 -10.969 1.430 1.00 0.00 N ATOM 1132 CA LYS A 70 -2.276 -11.245 0.068 1.00 0.00 C ATOM 1133 C LYS A 70 -3.345 -10.865 -0.964 1.00 0.00 C ATOM 1134 O LYS A 70 -4.548 -10.989 -0.709 1.00 0.00 O ATOM 1135 CB LYS A 70 -1.793 -12.725 -0.136 1.00 0.00 C ATOM 1136 CG LYS A 70 -2.881 -13.799 -0.368 1.00 0.00 C ATOM 1137 CD LYS A 70 -3.758 -14.076 0.868 1.00 0.00 C ATOM 1138 CE LYS A 70 -4.928 -15.031 0.575 1.00 0.00 C ATOM 1139 NZ LYS A 70 -5.865 -14.469 -0.441 1.00 0.00 N ATOM 0 H LYS A 70 -3.772 -10.931 1.512 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.395 -10.621 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.113 -12.744 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.214 -13.015 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.521 -13.482 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.401 -14.728 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.139 -14.501 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.152 -13.132 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.538 -15.985 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.472 -15.233 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.721 -15.058 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.126 -13.498 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.402 -14.459 -1.372 1.00 0.00 H new ATOM 1153 N PHE A 71 -2.869 -10.388 -2.110 1.00 0.00 N ATOM 1154 CA PHE A 71 -3.680 -10.082 -3.294 1.00 0.00 C ATOM 1155 C PHE A 71 -2.796 -10.286 -4.537 1.00 0.00 C ATOM 1156 O PHE A 71 -1.654 -10.758 -4.427 1.00 0.00 O ATOM 1157 CB PHE A 71 -4.269 -8.634 -3.210 1.00 0.00 C ATOM 1158 CG PHE A 71 -3.231 -7.506 -3.137 1.00 0.00 C ATOM 1159 CD1 PHE A 71 -2.690 -6.954 -4.300 1.00 0.00 C ATOM 1160 CD2 PHE A 71 -2.791 -7.002 -1.909 1.00 0.00 C ATOM 1161 CE1 PHE A 71 -1.749 -5.951 -4.245 1.00 0.00 C ATOM 1162 CE2 PHE A 71 -1.848 -5.992 -1.857 1.00 0.00 C ATOM 1163 CZ PHE A 71 -1.328 -5.470 -3.025 1.00 0.00 C ATOM 0 H PHE A 71 -1.877 -10.196 -2.249 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.539 -10.750 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.903 -8.466 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.911 -8.571 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.016 -7.321 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.192 -7.406 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.341 -5.542 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.518 -5.611 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.590 -4.683 -2.982 1.00 0.00 H new ATOM 1173 N THR A 72 -3.316 -9.943 -5.715 1.00 0.00 N ATOM 1174 CA THR A 72 -2.557 -10.001 -6.973 1.00 0.00 C ATOM 1175 C THR A 72 -2.709 -8.651 -7.705 1.00 0.00 C ATOM 1176 O THR A 72 -3.585 -7.855 -7.367 1.00 0.00 O ATOM 1177 CB THR A 72 -3.043 -11.204 -7.858 1.00 0.00 C ATOM 1178 OG1 THR A 72 -3.245 -12.360 -7.027 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.028 -11.568 -8.957 1.00 0.00 C ATOM 0 H THR A 72 -4.276 -9.616 -5.829 1.00 0.00 H new ATOM 0 HA THR A 72 -1.501 -10.171 -6.765 1.00 0.00 H new ATOM 0 HB THR A 72 -3.972 -10.896 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.550 -13.110 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.409 -12.405 -9.542 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.875 -10.709 -9.610 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.080 -11.848 -8.498 1.00 0.00 H new ATOM 1187 N GLU A 73 -1.833 -8.375 -8.680 1.00 0.00 N ATOM 1188 CA GLU A 73 -1.846 -7.108 -9.431 1.00 0.00 C ATOM 1189 C GLU A 73 -2.853 -7.151 -10.593 1.00 0.00 C ATOM 1190 O GLU A 73 -3.347 -6.105 -11.007 1.00 0.00 O ATOM 1191 CB GLU A 73 -0.431 -6.770 -9.953 1.00 0.00 C ATOM 1192 CG GLU A 73 0.207 -7.828 -10.875 1.00 0.00 C ATOM 1193 CD GLU A 73 1.514 -7.332 -11.520 1.00 0.00 C ATOM 1194 OE1 GLU A 73 2.528 -7.192 -10.796 1.00 0.00 O ATOM 1195 OE2 GLU A 73 1.513 -7.031 -12.738 1.00 0.00 O ATOM 0 H GLU A 73 -1.098 -9.019 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.163 -6.322 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.478 -5.824 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.226 -6.616 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.409 -8.732 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.502 -8.099 -11.658 1.00 0.00 H new ATOM 1202 N GLU A 74 -3.159 -8.365 -11.100 1.00 0.00 N ATOM 1203 CA GLU A 74 -4.058 -8.553 -12.266 1.00 0.00 C ATOM 1204 C GLU A 74 -5.504 -8.081 -11.975 1.00 0.00 C ATOM 1205 O GLU A 74 -6.170 -7.529 -12.858 1.00 0.00 O ATOM 1206 CB GLU A 74 -4.046 -10.030 -12.732 1.00 0.00 C ATOM 1207 CG GLU A 74 -4.416 -11.055 -11.650 1.00 0.00 C ATOM 1208 CD GLU A 74 -4.467 -12.491 -12.189 1.00 0.00 C ATOM 1209 OE1 GLU A 74 -3.408 -13.157 -12.242 1.00 0.00 O ATOM 1210 OE2 GLU A 74 -5.563 -12.958 -12.579 1.00 0.00 O ATOM 0 H GLU A 74 -2.794 -9.238 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.674 -7.927 -13.072 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.740 -10.138 -13.566 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.052 -10.267 -13.112 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.689 -11.001 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.386 -10.796 -11.226 1.00 0.00 H new ATOM 1217 N GLU A 75 -5.959 -8.272 -10.716 1.00 0.00 N ATOM 1218 CA GLU A 75 -7.293 -7.814 -10.249 1.00 0.00 C ATOM 1219 C GLU A 75 -7.358 -6.267 -10.161 1.00 0.00 C ATOM 1220 O GLU A 75 -8.444 -5.684 -10.053 1.00 0.00 O ATOM 1221 CB GLU A 75 -7.612 -8.445 -8.864 1.00 0.00 C ATOM 1222 CG GLU A 75 -6.654 -8.002 -7.747 1.00 0.00 C ATOM 1223 CD GLU A 75 -6.925 -8.657 -6.385 1.00 0.00 C ATOM 1224 OE1 GLU A 75 -6.360 -9.746 -6.108 1.00 0.00 O ATOM 1225 OE2 GLU A 75 -7.700 -8.089 -5.584 1.00 0.00 O ATOM 0 H GLU A 75 -5.416 -8.746 -9.995 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.039 -8.139 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.631 -8.182 -8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.575 -9.531 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.632 -8.230 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.720 -6.920 -7.636 1.00 0.00 H new ATOM 1232 N LEU A 76 -6.171 -5.627 -10.192 1.00 0.00 N ATOM 1233 CA LEU A 76 -6.005 -4.166 -10.106 1.00 0.00 C ATOM 1234 C LEU A 76 -5.858 -3.524 -11.508 1.00 0.00 C ATOM 1235 O LEU A 76 -5.953 -2.299 -11.645 1.00 0.00 O ATOM 1236 CB LEU A 76 -4.759 -3.845 -9.243 1.00 0.00 C ATOM 1237 CG LEU A 76 -4.709 -4.509 -7.827 1.00 0.00 C ATOM 1238 CD1 LEU A 76 -3.377 -4.187 -7.119 1.00 0.00 C ATOM 1239 CD2 LEU A 76 -5.931 -4.103 -6.965 1.00 0.00 C ATOM 0 H LEU A 76 -5.285 -6.124 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.898 -3.745 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.871 -4.151 -9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.699 -2.764 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.761 -5.590 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.364 -4.659 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.547 -4.567 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.277 -3.108 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.863 -4.583 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.943 -3.021 -6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.848 -4.420 -7.462 1.00 0.00 H new ATOM 1251 N LYS A 77 -5.625 -4.361 -12.544 1.00 0.00 N ATOM 1252 CA LYS A 77 -5.383 -3.890 -13.936 1.00 0.00 C ATOM 1253 C LYS A 77 -6.703 -3.664 -14.710 1.00 0.00 C ATOM 1254 O LYS A 77 -6.724 -2.913 -15.695 1.00 0.00 O ATOM 1255 CB LYS A 77 -4.497 -4.910 -14.708 1.00 0.00 C ATOM 1256 CG LYS A 77 -3.151 -5.247 -14.030 1.00 0.00 C ATOM 1257 CD LYS A 77 -2.189 -4.042 -13.892 1.00 0.00 C ATOM 1258 CE LYS A 77 -0.919 -4.399 -13.088 1.00 0.00 C ATOM 1259 NZ LYS A 77 0.049 -3.272 -13.024 1.00 0.00 N ATOM 0 H LYS A 77 -5.598 -5.376 -12.445 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.866 -2.933 -13.864 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.062 -5.833 -14.840 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.296 -4.514 -15.704 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.349 -5.655 -13.039 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.654 -6.030 -14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.903 -3.692 -14.884 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.708 -3.219 -13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.203 -4.688 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.436 -5.264 -13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.883 -3.562 -12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.342 -3.011 -13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.401 -2.454 -12.566 1.00 0.00 H new ATOM 1273 N THR A 78 -7.789 -4.325 -14.257 1.00 0.00 N ATOM 1274 CA THR A 78 -9.097 -4.311 -14.951 1.00 0.00 C ATOM 1275 C THR A 78 -9.809 -2.945 -14.830 1.00 0.00 C ATOM 1276 O THR A 78 -9.519 -2.172 -13.922 1.00 0.00 O ATOM 1277 CB THR A 78 -10.039 -5.448 -14.410 1.00 0.00 C ATOM 1278 OG1 THR A 78 -11.305 -5.427 -15.095 1.00 0.00 O ATOM 1279 CG2 THR A 78 -10.283 -5.341 -12.894 1.00 0.00 C ATOM 0 H THR A 78 -7.786 -4.882 -13.403 1.00 0.00 H new ATOM 0 HA THR A 78 -8.888 -4.490 -16.006 1.00 0.00 H new ATOM 0 HB THR A 78 -9.527 -6.390 -14.603 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.877 -6.142 -14.747 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.940 -6.150 -12.573 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.332 -5.415 -12.366 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.750 -4.383 -12.667 1.00 0.00 H new ATOM 1287 N LYS A 79 -10.757 -2.694 -15.757 1.00 0.00 N ATOM 1288 CA LYS A 79 -11.609 -1.478 -15.793 1.00 0.00 C ATOM 1289 C LYS A 79 -12.366 -1.289 -14.467 1.00 0.00 C ATOM 1290 O LYS A 79 -12.515 -0.159 -13.987 1.00 0.00 O ATOM 1291 CB LYS A 79 -12.606 -1.598 -16.984 1.00 0.00 C ATOM 1292 CG LYS A 79 -13.727 -0.526 -17.062 1.00 0.00 C ATOM 1293 CD LYS A 79 -14.645 -0.706 -18.301 1.00 0.00 C ATOM 1294 CE LYS A 79 -15.911 0.177 -18.251 1.00 0.00 C ATOM 1295 NZ LYS A 79 -15.597 1.620 -18.088 1.00 0.00 N ATOM 0 H LYS A 79 -10.959 -3.342 -16.519 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.976 -0.602 -15.931 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.035 -1.562 -17.912 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -13.076 -2.580 -16.937 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.332 -0.573 -16.157 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.274 0.465 -17.091 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.079 -0.469 -19.202 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.942 -1.752 -18.377 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.484 0.035 -19.167 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.544 -0.149 -17.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.114 2.171 -18.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.882 1.932 -17.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.575 1.769 -18.209 1.00 0.00 H new ATOM 1309 N GLU A 80 -12.807 -2.425 -13.881 1.00 0.00 N ATOM 1310 CA GLU A 80 -13.474 -2.460 -12.564 1.00 0.00 C ATOM 1311 C GLU A 80 -12.602 -1.768 -11.508 1.00 0.00 C ATOM 1312 O GLU A 80 -13.069 -0.916 -10.750 1.00 0.00 O ATOM 1313 CB GLU A 80 -13.737 -3.931 -12.129 1.00 0.00 C ATOM 1314 CG GLU A 80 -14.507 -4.788 -13.152 1.00 0.00 C ATOM 1315 CD GLU A 80 -15.924 -4.266 -13.443 1.00 0.00 C ATOM 1316 OE1 GLU A 80 -16.867 -4.621 -12.699 1.00 0.00 O ATOM 1317 OE2 GLU A 80 -16.100 -3.493 -14.407 1.00 0.00 O ATOM 0 H GLU A 80 -12.709 -3.345 -14.311 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.425 -1.934 -12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.779 -4.410 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.295 -3.922 -11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.942 -4.823 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -14.574 -5.811 -12.781 1.00 0.00 H new ATOM 1324 N ALA A 81 -11.311 -2.124 -11.527 1.00 0.00 N ATOM 1325 CA ALA A 81 -10.333 -1.657 -10.562 1.00 0.00 C ATOM 1326 C ALA A 81 -9.921 -0.216 -10.834 1.00 0.00 C ATOM 1327 O ALA A 81 -9.864 0.565 -9.912 1.00 0.00 O ATOM 1328 CB ALA A 81 -9.131 -2.582 -10.547 1.00 0.00 C ATOM 0 H ALA A 81 -10.921 -2.754 -12.228 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.794 -1.674 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.404 -2.222 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.450 -3.588 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.675 -2.602 -11.537 1.00 0.00 H new ATOM 1334 N LYS A 82 -9.669 0.126 -12.107 1.00 0.00 N ATOM 1335 CA LYS A 82 -9.195 1.470 -12.506 1.00 0.00 C ATOM 1336 C LYS A 82 -10.213 2.561 -12.107 1.00 0.00 C ATOM 1337 O LYS A 82 -9.838 3.641 -11.624 1.00 0.00 O ATOM 1338 CB LYS A 82 -8.914 1.514 -14.031 1.00 0.00 C ATOM 1339 CG LYS A 82 -7.803 0.544 -14.501 1.00 0.00 C ATOM 1340 CD LYS A 82 -7.478 0.675 -16.011 1.00 0.00 C ATOM 1341 CE LYS A 82 -6.916 2.066 -16.379 1.00 0.00 C ATOM 1342 NZ LYS A 82 -6.578 2.177 -17.821 1.00 0.00 N ATOM 0 H LYS A 82 -9.786 -0.516 -12.891 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.265 1.672 -11.975 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.835 1.280 -14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.634 2.530 -14.308 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.898 0.731 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.110 -0.480 -14.289 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.755 -0.091 -16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.382 0.487 -16.591 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.648 2.831 -16.120 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.025 2.264 -15.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.205 3.128 -18.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.859 1.466 -18.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.433 2.015 -18.391 1.00 0.00 H new ATOM 1356 N GLU A 83 -11.503 2.235 -12.284 1.00 0.00 N ATOM 1357 CA GLU A 83 -12.618 3.108 -11.900 1.00 0.00 C ATOM 1358 C GLU A 83 -12.719 3.255 -10.373 1.00 0.00 C ATOM 1359 O GLU A 83 -12.682 4.368 -9.864 1.00 0.00 O ATOM 1360 CB GLU A 83 -13.940 2.576 -12.506 1.00 0.00 C ATOM 1361 CG GLU A 83 -14.035 2.787 -14.031 1.00 0.00 C ATOM 1362 CD GLU A 83 -15.420 2.484 -14.628 1.00 0.00 C ATOM 1363 OE1 GLU A 83 -16.261 3.404 -14.703 1.00 0.00 O ATOM 1364 OE2 GLU A 83 -15.674 1.334 -15.033 1.00 0.00 O ATOM 0 H GLU A 83 -11.801 1.353 -12.700 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.430 4.104 -12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.031 1.512 -12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.781 3.075 -12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.772 3.820 -14.260 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.295 2.154 -14.520 1.00 0.00 H new ATOM 1371 N ARG A 84 -12.800 2.132 -9.643 1.00 0.00 N ATOM 1372 CA ARG A 84 -12.953 2.167 -8.167 1.00 0.00 C ATOM 1373 C ARG A 84 -11.671 2.724 -7.482 1.00 0.00 C ATOM 1374 O ARG A 84 -11.736 3.213 -6.363 1.00 0.00 O ATOM 1375 CB ARG A 84 -13.328 0.772 -7.611 1.00 0.00 C ATOM 1376 CG ARG A 84 -12.230 -0.282 -7.789 1.00 0.00 C ATOM 1377 CD ARG A 84 -12.590 -1.675 -7.235 1.00 0.00 C ATOM 1378 NE ARG A 84 -11.529 -2.652 -7.547 1.00 0.00 N ATOM 1379 CZ ARG A 84 -11.433 -3.902 -7.067 1.00 0.00 C ATOM 1380 NH1 ARG A 84 -12.263 -4.352 -6.131 1.00 0.00 N ATOM 1381 NH2 ARG A 84 -10.478 -4.701 -7.526 1.00 0.00 N ATOM 0 H ARG A 84 -12.763 1.193 -10.039 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.773 2.846 -7.933 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.561 0.865 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.235 0.426 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.001 -0.375 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.323 0.069 -7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.731 -1.617 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.535 -2.009 -7.663 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.798 -2.348 -8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.993 -3.743 -5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.170 -5.306 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.828 -4.363 -8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.394 -5.653 -7.169 1.00 0.00 H new ATOM 1395 N TRP A 85 -10.512 2.637 -8.179 1.00 0.00 N ATOM 1396 CA TRP A 85 -9.236 3.274 -7.751 1.00 0.00 C ATOM 1397 C TRP A 85 -9.373 4.800 -7.826 1.00 0.00 C ATOM 1398 O TRP A 85 -8.820 5.520 -6.999 1.00 0.00 O ATOM 1399 CB TRP A 85 -8.034 2.817 -8.640 1.00 0.00 C ATOM 1400 CG TRP A 85 -7.320 1.546 -8.207 1.00 0.00 C ATOM 1401 CD1 TRP A 85 -7.849 0.426 -7.611 1.00 0.00 C ATOM 1402 CD2 TRP A 85 -5.919 1.279 -8.373 1.00 0.00 C ATOM 1403 NE1 TRP A 85 -6.859 -0.502 -7.393 1.00 0.00 N ATOM 1404 CE2 TRP A 85 -5.670 0.001 -7.848 1.00 0.00 C ATOM 1405 CE3 TRP A 85 -4.849 2.010 -8.908 1.00 0.00 C ATOM 1406 CZ2 TRP A 85 -4.399 -0.565 -7.842 1.00 0.00 C ATOM 1407 CZ3 TRP A 85 -3.585 1.442 -8.904 1.00 0.00 C ATOM 1408 CH2 TRP A 85 -3.371 0.163 -8.375 1.00 0.00 C ATOM 0 H TRP A 85 -10.432 2.123 -9.056 1.00 0.00 H new ATOM 0 HA TRP A 85 -9.035 2.963 -6.726 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.396 2.676 -9.658 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.304 3.626 -8.670 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.889 0.295 -7.352 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.989 -1.417 -6.962 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.007 2.998 -9.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -4.229 -1.549 -7.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -2.753 1.994 -9.315 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -2.376 -0.256 -8.388 1.00 0.00 H new ATOM 1419 N ARG A 86 -10.091 5.268 -8.862 1.00 0.00 N ATOM 1420 CA ARG A 86 -10.416 6.691 -9.040 1.00 0.00 C ATOM 1421 C ARG A 86 -11.348 7.169 -7.906 1.00 0.00 C ATOM 1422 O ARG A 86 -11.116 8.223 -7.328 1.00 0.00 O ATOM 1423 CB ARG A 86 -11.067 6.926 -10.427 1.00 0.00 C ATOM 1424 CG ARG A 86 -11.474 8.385 -10.699 1.00 0.00 C ATOM 1425 CD ARG A 86 -12.115 8.592 -12.087 1.00 0.00 C ATOM 1426 NE ARG A 86 -12.154 10.015 -12.485 1.00 0.00 N ATOM 1427 CZ ARG A 86 -13.003 10.953 -12.017 1.00 0.00 C ATOM 1428 NH1 ARG A 86 -13.930 10.667 -11.111 1.00 0.00 N ATOM 1429 NH2 ARG A 86 -12.913 12.193 -12.468 1.00 0.00 N ATOM 0 H ARG A 86 -10.462 4.668 -9.599 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.495 7.272 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.370 6.606 -11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.950 6.293 -10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.176 8.708 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.594 9.022 -10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.555 8.025 -12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.129 8.192 -12.079 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.473 10.317 -13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.014 9.717 -10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.558 11.397 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.206 12.433 -13.163 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.550 12.910 -12.120 1.00 0.00 H new ATOM 1443 N LYS A 87 -12.398 6.369 -7.598 1.00 0.00 N ATOM 1444 CA LYS A 87 -13.319 6.638 -6.457 1.00 0.00 C ATOM 1445 C LYS A 87 -12.556 6.655 -5.114 1.00 0.00 C ATOM 1446 O LYS A 87 -12.853 7.469 -4.232 1.00 0.00 O ATOM 1447 CB LYS A 87 -14.491 5.604 -6.389 1.00 0.00 C ATOM 1448 CG LYS A 87 -15.648 5.832 -7.397 1.00 0.00 C ATOM 1449 CD LYS A 87 -15.246 5.594 -8.870 1.00 0.00 C ATOM 1450 CE LYS A 87 -16.370 5.915 -9.861 1.00 0.00 C ATOM 1451 NZ LYS A 87 -16.719 7.358 -9.859 1.00 0.00 N ATOM 0 H LYS A 87 -12.632 5.527 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.749 7.624 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.082 4.607 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.904 5.617 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.475 5.168 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.015 6.853 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.376 6.207 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.946 4.553 -8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.065 5.617 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.253 5.328 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.384 7.555 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.162 7.607 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.856 7.924 -9.990 1.00 0.00 H new ATOM 1465 N PHE A 88 -11.574 5.755 -4.989 1.00 0.00 N ATOM 1466 CA PHE A 88 -10.742 5.618 -3.782 1.00 0.00 C ATOM 1467 C PHE A 88 -9.842 6.862 -3.609 1.00 0.00 C ATOM 1468 O PHE A 88 -9.676 7.372 -2.502 1.00 0.00 O ATOM 1469 CB PHE A 88 -9.905 4.317 -3.886 1.00 0.00 C ATOM 1470 CG PHE A 88 -9.101 3.971 -2.644 1.00 0.00 C ATOM 1471 CD1 PHE A 88 -9.683 4.036 -1.381 1.00 0.00 C ATOM 1472 CD2 PHE A 88 -7.769 3.580 -2.735 1.00 0.00 C ATOM 1473 CE1 PHE A 88 -8.957 3.728 -0.260 1.00 0.00 C ATOM 1474 CE2 PHE A 88 -7.046 3.266 -1.606 1.00 0.00 C ATOM 1475 CZ PHE A 88 -7.641 3.345 -0.370 1.00 0.00 C ATOM 0 H PHE A 88 -11.330 5.095 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.377 5.551 -2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.576 3.488 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.221 4.409 -4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.717 4.332 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.296 3.522 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.421 3.786 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.014 2.959 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.074 3.106 0.517 1.00 0.00 H new ATOM 1485 N PHE A 89 -9.289 7.338 -4.735 1.00 0.00 N ATOM 1486 CA PHE A 89 -8.520 8.592 -4.809 1.00 0.00 C ATOM 1487 C PHE A 89 -9.401 9.802 -4.429 1.00 0.00 C ATOM 1488 O PHE A 89 -8.988 10.634 -3.622 1.00 0.00 O ATOM 1489 CB PHE A 89 -7.904 8.770 -6.243 1.00 0.00 C ATOM 1490 CG PHE A 89 -7.618 10.224 -6.667 1.00 0.00 C ATOM 1491 CD1 PHE A 89 -6.756 11.034 -5.924 1.00 0.00 C ATOM 1492 CD2 PHE A 89 -8.237 10.784 -7.792 1.00 0.00 C ATOM 1493 CE1 PHE A 89 -6.528 12.347 -6.288 1.00 0.00 C ATOM 1494 CE2 PHE A 89 -7.999 12.100 -8.155 1.00 0.00 C ATOM 1495 CZ PHE A 89 -7.148 12.879 -7.401 1.00 0.00 C ATOM 0 H PHE A 89 -9.364 6.858 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.703 8.539 -4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.973 8.206 -6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.584 8.325 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.261 10.629 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.909 10.182 -8.385 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.862 12.960 -5.699 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.480 12.515 -9.028 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.966 13.906 -7.681 1.00 0.00 H new ATOM 1505 N THR A 90 -10.607 9.886 -5.023 1.00 0.00 N ATOM 1506 CA THR A 90 -11.508 11.049 -4.856 1.00 0.00 C ATOM 1507 C THR A 90 -11.973 11.227 -3.391 1.00 0.00 C ATOM 1508 O THR A 90 -12.496 12.286 -3.028 1.00 0.00 O ATOM 1509 CB THR A 90 -12.724 11.014 -5.846 1.00 0.00 C ATOM 1510 OG1 THR A 90 -13.459 9.790 -5.700 1.00 0.00 O ATOM 1511 CG2 THR A 90 -12.266 11.179 -7.316 1.00 0.00 C ATOM 0 H THR A 90 -10.984 9.157 -5.628 1.00 0.00 H new ATOM 0 HA THR A 90 -10.916 11.927 -5.113 1.00 0.00 H new ATOM 0 HB THR A 90 -13.372 11.854 -5.595 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.005 9.211 -5.053 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.135 11.150 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.755 12.135 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.585 10.369 -7.578 1.00 0.00 H new ATOM 1519 N ILE A 91 -11.799 10.178 -2.567 1.00 0.00 N ATOM 1520 CA ILE A 91 -11.951 10.273 -1.101 1.00 0.00 C ATOM 1521 C ILE A 91 -10.810 11.149 -0.507 1.00 0.00 C ATOM 1522 O ILE A 91 -11.057 12.113 0.225 1.00 0.00 O ATOM 1523 CB ILE A 91 -11.926 8.841 -0.429 1.00 0.00 C ATOM 1524 CG1 ILE A 91 -13.044 7.919 -1.010 1.00 0.00 C ATOM 1525 CG2 ILE A 91 -12.036 8.922 1.116 1.00 0.00 C ATOM 1526 CD1 ILE A 91 -12.993 6.472 -0.522 1.00 0.00 C ATOM 0 H ILE A 91 -11.550 9.245 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.916 10.734 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.959 8.399 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.015 8.341 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.972 7.925 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.015 7.916 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.199 9.497 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.972 9.409 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -13.806 5.906 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.039 6.027 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.098 6.450 0.563 1.00 0.00 H new ATOM 1538 N PHE A 92 -9.560 10.821 -0.888 1.00 0.00 N ATOM 1539 CA PHE A 92 -8.330 11.361 -0.256 1.00 0.00 C ATOM 1540 C PHE A 92 -7.672 12.475 -1.082 1.00 0.00 C ATOM 1541 O PHE A 92 -6.587 12.945 -0.726 1.00 0.00 O ATOM 1542 CB PHE A 92 -7.329 10.217 0.014 1.00 0.00 C ATOM 1543 CG PHE A 92 -7.928 9.105 0.862 1.00 0.00 C ATOM 1544 CD1 PHE A 92 -8.138 9.271 2.231 1.00 0.00 C ATOM 1545 CD2 PHE A 92 -8.312 7.908 0.280 1.00 0.00 C ATOM 1546 CE1 PHE A 92 -8.710 8.259 2.982 1.00 0.00 C ATOM 1547 CE2 PHE A 92 -8.878 6.907 1.023 1.00 0.00 C ATOM 1548 CZ PHE A 92 -9.080 7.076 2.375 1.00 0.00 C ATOM 0 H PHE A 92 -9.369 10.169 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.628 11.815 0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.991 9.803 -0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.450 10.619 0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.852 10.196 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.162 7.762 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.867 8.395 4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.167 5.982 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.527 6.285 2.959 1.00 0.00 H new ATOM 1558 N GLU A 93 -8.348 12.926 -2.153 1.00 0.00 N ATOM 1559 CA GLU A 93 -7.888 14.081 -2.962 1.00 0.00 C ATOM 1560 C GLU A 93 -7.930 15.393 -2.145 1.00 0.00 C ATOM 1561 O GLU A 93 -7.396 16.411 -2.575 1.00 0.00 O ATOM 1562 CB GLU A 93 -8.761 14.250 -4.230 1.00 0.00 C ATOM 1563 CG GLU A 93 -10.259 14.476 -3.942 1.00 0.00 C ATOM 1564 CD GLU A 93 -11.019 15.098 -5.125 1.00 0.00 C ATOM 1565 OE1 GLU A 93 -11.538 14.358 -5.986 1.00 0.00 O ATOM 1566 OE2 GLU A 93 -11.093 16.338 -5.203 1.00 0.00 O ATOM 0 H GLU A 93 -9.219 12.510 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.858 13.876 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.383 15.093 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.652 13.362 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.720 13.523 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.361 15.125 -3.072 1.00 0.00 H new ATOM 1573 N LYS A 94 -8.621 15.355 -0.992 1.00 0.00 N ATOM 1574 CA LYS A 94 -8.777 16.509 -0.096 1.00 0.00 C ATOM 1575 C LYS A 94 -7.606 16.600 0.907 1.00 0.00 C ATOM 1576 O LYS A 94 -7.327 17.677 1.444 1.00 0.00 O ATOM 1577 CB LYS A 94 -10.134 16.386 0.655 1.00 0.00 C ATOM 1578 CG LYS A 94 -11.363 16.104 -0.254 1.00 0.00 C ATOM 1579 CD LYS A 94 -11.598 17.182 -1.341 1.00 0.00 C ATOM 1580 CE LYS A 94 -11.914 18.569 -0.757 1.00 0.00 C ATOM 1581 NZ LYS A 94 -12.132 19.579 -1.820 1.00 0.00 N ATOM 0 H LYS A 94 -9.090 14.514 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.768 17.424 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.054 15.586 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.312 17.309 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.231 15.136 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.254 16.029 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.712 17.253 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.421 16.869 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.803 18.505 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.093 18.889 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.342 20.500 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.275 19.659 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.932 19.287 -2.417 1.00 0.00 H new ATOM 1595 N LYS A 95 -6.924 15.458 1.155 1.00 0.00 N ATOM 1596 CA LYS A 95 -5.821 15.367 2.141 1.00 0.00 C ATOM 1597 C LYS A 95 -4.498 14.977 1.450 1.00 0.00 C ATOM 1598 O LYS A 95 -3.549 15.777 1.422 1.00 0.00 O ATOM 1599 CB LYS A 95 -6.160 14.405 3.345 1.00 0.00 C ATOM 1600 CG LYS A 95 -6.928 13.093 3.029 1.00 0.00 C ATOM 1601 CD LYS A 95 -8.438 13.312 2.752 1.00 0.00 C ATOM 1602 CE LYS A 95 -9.181 13.998 3.908 1.00 0.00 C ATOM 1603 NZ LYS A 95 -9.188 13.183 5.139 1.00 0.00 N ATOM 0 H LYS A 95 -7.121 14.577 0.680 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.695 16.359 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.223 14.136 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.746 14.970 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.473 12.615 2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.816 12.405 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.550 13.914 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.906 12.348 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.713 14.960 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.208 14.202 3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.672 13.704 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.688 12.289 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.209 12.981 5.427 1.00 0.00 H new ATOM 1617 N ILE A 96 -4.442 13.760 0.873 1.00 0.00 N ATOM 1618 CA ILE A 96 -3.231 13.250 0.204 1.00 0.00 C ATOM 1619 C ILE A 96 -3.121 13.885 -1.196 1.00 0.00 C ATOM 1620 O ILE A 96 -3.796 13.451 -2.137 1.00 0.00 O ATOM 1621 CB ILE A 96 -3.223 11.674 0.085 1.00 0.00 C ATOM 1622 CG1 ILE A 96 -3.646 10.990 1.432 1.00 0.00 C ATOM 1623 CG2 ILE A 96 -1.835 11.161 -0.391 1.00 0.00 C ATOM 1624 CD1 ILE A 96 -2.737 11.258 2.625 1.00 0.00 C ATOM 0 H ILE A 96 -5.227 13.109 0.858 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.372 13.526 0.815 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.963 11.397 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.653 11.321 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.695 9.913 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.855 10.074 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.605 11.587 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.071 11.462 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.124 10.737 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.732 10.900 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.705 12.329 2.824 1.00 0.00 H new ATOM 1636 N GLU A 97 -2.315 14.957 -1.292 1.00 0.00 N ATOM 1637 CA GLU A 97 -2.068 15.677 -2.553 1.00 0.00 C ATOM 1638 C GLU A 97 -1.272 14.787 -3.515 1.00 0.00 C ATOM 1639 O GLU A 97 -1.724 14.478 -4.624 1.00 0.00 O ATOM 1640 CB GLU A 97 -1.292 16.992 -2.273 1.00 0.00 C ATOM 1641 CG GLU A 97 -2.020 17.961 -1.324 1.00 0.00 C ATOM 1642 CD GLU A 97 -1.236 19.255 -1.046 1.00 0.00 C ATOM 1643 OE1 GLU A 97 -1.388 20.239 -1.807 1.00 0.00 O ATOM 1644 OE2 GLU A 97 -0.473 19.297 -0.062 1.00 0.00 O ATOM 0 H GLU A 97 -1.815 15.349 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.024 15.927 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.320 16.744 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.105 17.499 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.988 18.218 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.214 17.454 -0.379 1.00 0.00 H new ATOM 1651 N ASP A 98 -0.091 14.348 -3.049 1.00 0.00 N ATOM 1652 CA ASP A 98 0.798 13.475 -3.820 1.00 0.00 C ATOM 1653 C ASP A 98 0.403 12.010 -3.584 1.00 0.00 C ATOM 1654 O ASP A 98 0.957 11.325 -2.722 1.00 0.00 O ATOM 1655 CB ASP A 98 2.285 13.744 -3.459 1.00 0.00 C ATOM 1656 CG ASP A 98 3.288 12.896 -4.273 1.00 0.00 C ATOM 1657 OD1 ASP A 98 3.171 12.853 -5.516 1.00 0.00 O ATOM 1658 OD2 ASP A 98 4.197 12.278 -3.672 1.00 0.00 O ATOM 0 H ASP A 98 0.271 14.591 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 98 0.689 13.691 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.503 14.800 -3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.433 13.545 -2.398 1.00 0.00 H new ATOM 1663 N TYR A 99 -0.655 11.592 -4.290 1.00 0.00 N ATOM 1664 CA TYR A 99 -1.148 10.206 -4.280 1.00 0.00 C ATOM 1665 C TYR A 99 -0.429 9.394 -5.374 1.00 0.00 C ATOM 1666 O TYR A 99 -0.067 8.236 -5.169 1.00 0.00 O ATOM 1667 CB TYR A 99 -2.696 10.188 -4.500 1.00 0.00 C ATOM 1668 CG TYR A 99 -3.159 10.466 -5.946 1.00 0.00 C ATOM 1669 CD1 TYR A 99 -3.040 11.737 -6.520 1.00 0.00 C ATOM 1670 CD2 TYR A 99 -3.688 9.439 -6.744 1.00 0.00 C ATOM 1671 CE1 TYR A 99 -3.427 11.971 -7.829 1.00 0.00 C ATOM 1672 CE2 TYR A 99 -4.082 9.674 -8.048 1.00 0.00 C ATOM 1673 CZ TYR A 99 -3.951 10.938 -8.587 1.00 0.00 C ATOM 1674 OH TYR A 99 -4.334 11.169 -9.894 1.00 0.00 O ATOM 0 H TYR A 99 -1.199 12.211 -4.891 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.936 9.751 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.079 9.214 -4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.149 10.930 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.639 12.549 -5.932 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.789 8.446 -6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.320 12.957 -8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.491 8.871 -8.643 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.680 10.340 -10.285 1.00 0.00 H new ATOM 1684 N ASN A 100 -0.224 10.049 -6.535 1.00 0.00 N ATOM 1685 CA ASN A 100 0.309 9.431 -7.754 1.00 0.00 C ATOM 1686 C ASN A 100 1.829 9.591 -7.776 1.00 0.00 C ATOM 1687 O ASN A 100 2.395 10.404 -8.518 1.00 0.00 O ATOM 1688 CB ASN A 100 -0.357 10.052 -9.018 1.00 0.00 C ATOM 1689 CG ASN A 100 0.021 9.361 -10.337 1.00 0.00 C ATOM 1690 OD1 ASN A 100 0.331 8.168 -10.365 1.00 0.00 O ATOM 1691 ND2 ASN A 100 -0.008 10.097 -11.438 1.00 0.00 N ATOM 0 H ASN A 100 -0.430 11.042 -6.648 1.00 0.00 H new ATOM 0 HA ASN A 100 0.075 8.367 -7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.440 10.014 -8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.080 11.104 -9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.230 9.679 -12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.268 11.082 -11.386 1.00 0.00 H new ATOM 1698 N PHE A 101 2.460 8.850 -6.879 1.00 0.00 N ATOM 1699 CA PHE A 101 3.909 8.716 -6.792 1.00 0.00 C ATOM 1700 C PHE A 101 4.193 7.226 -6.608 1.00 0.00 C ATOM 1701 O PHE A 101 3.686 6.609 -5.662 1.00 0.00 O ATOM 1702 CB PHE A 101 4.453 9.562 -5.620 1.00 0.00 C ATOM 1703 CG PHE A 101 5.971 9.570 -5.455 1.00 0.00 C ATOM 1704 CD1 PHE A 101 6.751 10.532 -6.094 1.00 0.00 C ATOM 1705 CD2 PHE A 101 6.616 8.629 -4.646 1.00 0.00 C ATOM 1706 CE1 PHE A 101 8.122 10.556 -5.930 1.00 0.00 C ATOM 1707 CE2 PHE A 101 7.986 8.652 -4.486 1.00 0.00 C ATOM 1708 CZ PHE A 101 8.738 9.617 -5.128 1.00 0.00 C ATOM 0 H PHE A 101 1.965 8.309 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 101 4.408 9.083 -7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.115 10.590 -5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.008 9.196 -4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.277 11.269 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.033 7.874 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.712 11.310 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.470 7.917 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.810 9.637 -5.002 1.00 0.00 H new ATOM 1718 N GLY A 102 4.971 6.663 -7.538 1.00 0.00 N ATOM 1719 CA GLY A 102 5.202 5.232 -7.602 1.00 0.00 C ATOM 1720 C GLY A 102 5.940 4.688 -6.385 1.00 0.00 C ATOM 1721 O GLY A 102 7.005 5.200 -6.021 1.00 0.00 O ATOM 0 H GLY A 102 5.454 7.193 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.245 4.720 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.777 5.003 -8.500 1.00 0.00 H new ATOM 1725 N THR A 103 5.352 3.668 -5.748 1.00 0.00 N ATOM 1726 CA THR A 103 5.926 2.975 -4.591 1.00 0.00 C ATOM 1727 C THR A 103 5.665 1.454 -4.724 1.00 0.00 C ATOM 1728 O THR A 103 4.578 1.048 -5.166 1.00 0.00 O ATOM 1729 CB THR A 103 5.315 3.528 -3.252 1.00 0.00 C ATOM 1730 OG1 THR A 103 5.442 4.965 -3.193 1.00 0.00 O ATOM 1731 CG2 THR A 103 5.992 2.918 -2.015 1.00 0.00 C ATOM 0 H THR A 103 4.445 3.295 -6.029 1.00 0.00 H new ATOM 0 HA THR A 103 7.001 3.153 -4.564 1.00 0.00 H new ATOM 0 HB THR A 103 4.262 3.245 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.056 5.293 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.539 3.328 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.863 1.836 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.055 3.157 -2.027 1.00 0.00 H new ATOM 1739 N LEU A 104 6.672 0.626 -4.369 1.00 0.00 N ATOM 1740 CA LEU A 104 6.538 -0.844 -4.365 1.00 0.00 C ATOM 1741 C LEU A 104 5.666 -1.299 -3.178 1.00 0.00 C ATOM 1742 O LEU A 104 6.093 -1.207 -2.018 1.00 0.00 O ATOM 1743 CB LEU A 104 7.941 -1.551 -4.327 1.00 0.00 C ATOM 1744 CG LEU A 104 8.608 -1.867 -5.702 1.00 0.00 C ATOM 1745 CD1 LEU A 104 7.695 -2.756 -6.559 1.00 0.00 C ATOM 1746 CD2 LEU A 104 9.008 -0.594 -6.459 1.00 0.00 C ATOM 0 H LEU A 104 7.593 0.956 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 104 6.048 -1.138 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.623 -0.922 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.835 -2.487 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 104 9.528 -2.415 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.180 -2.963 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.506 -3.694 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.750 -2.243 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.468 -0.865 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.122 0.013 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.719 -0.024 -5.861 1.00 0.00 H new ATOM 1758 N LEU A 105 4.441 -1.758 -3.483 1.00 0.00 N ATOM 1759 CA LEU A 105 3.549 -2.400 -2.502 1.00 0.00 C ATOM 1760 C LEU A 105 3.657 -3.913 -2.634 1.00 0.00 C ATOM 1761 O LEU A 105 3.342 -4.473 -3.687 1.00 0.00 O ATOM 1762 CB LEU A 105 2.079 -1.963 -2.704 1.00 0.00 C ATOM 1763 CG LEU A 105 0.997 -2.674 -1.822 1.00 0.00 C ATOM 1764 CD1 LEU A 105 1.273 -2.529 -0.305 1.00 0.00 C ATOM 1765 CD2 LEU A 105 -0.416 -2.173 -2.190 1.00 0.00 C ATOM 0 H LEU A 105 4.040 -1.694 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 105 3.858 -2.089 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.016 -0.891 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.820 -2.121 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 105 1.054 -3.740 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.492 -3.041 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.240 -2.971 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.281 -1.473 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.155 -2.678 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.475 -1.097 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.617 -2.390 -3.239 1.00 0.00 H new ATOM 1777 N ARG A 106 4.106 -4.561 -1.555 1.00 0.00 N ATOM 1778 CA ARG A 106 4.145 -6.017 -1.462 1.00 0.00 C ATOM 1779 C ARG A 106 2.713 -6.587 -1.558 1.00 0.00 C ATOM 1780 O ARG A 106 1.810 -6.147 -0.840 1.00 0.00 O ATOM 1781 CB ARG A 106 4.892 -6.443 -0.163 1.00 0.00 C ATOM 1782 CG ARG A 106 4.303 -5.887 1.154 1.00 0.00 C ATOM 1783 CD ARG A 106 5.320 -5.857 2.313 1.00 0.00 C ATOM 1784 NE ARG A 106 5.956 -7.169 2.559 1.00 0.00 N ATOM 1785 CZ ARG A 106 6.012 -7.790 3.746 1.00 0.00 C ATOM 1786 NH1 ARG A 106 5.404 -7.279 4.819 1.00 0.00 N ATOM 1787 NH2 ARG A 106 6.676 -8.933 3.850 1.00 0.00 N ATOM 0 H ARG A 106 4.453 -4.086 -0.721 1.00 0.00 H new ATOM 0 HA ARG A 106 4.705 -6.436 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.897 -7.532 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.931 -6.123 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.931 -4.877 0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.447 -6.495 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.093 -5.121 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.817 -5.527 3.222 1.00 0.00 H new ATOM 0 HE ARG A 106 6.386 -7.639 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.887 -6.403 4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.457 -7.764 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.137 -9.331 3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.725 -9.414 4.748 1.00 0.00 H new ATOM 1801 N THR A 107 2.504 -7.491 -2.528 1.00 0.00 N ATOM 1802 CA THR A 107 1.206 -8.134 -2.774 1.00 0.00 C ATOM 1803 C THR A 107 0.825 -9.046 -1.599 1.00 0.00 C ATOM 1804 O THR A 107 -0.325 -9.076 -1.173 1.00 0.00 O ATOM 1805 CB THR A 107 1.235 -8.952 -4.104 1.00 0.00 C ATOM 1806 OG1 THR A 107 2.294 -9.926 -4.044 1.00 0.00 O ATOM 1807 CG2 THR A 107 1.435 -8.040 -5.333 1.00 0.00 C ATOM 0 H THR A 107 3.237 -7.798 -3.168 1.00 0.00 H new ATOM 0 HA THR A 107 0.453 -7.351 -2.867 1.00 0.00 H new ATOM 0 HB THR A 107 0.272 -9.451 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.804 -9.907 -4.881 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.450 -8.647 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.617 -7.322 -5.391 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.380 -7.506 -5.239 1.00 0.00 H new ATOM 1815 N ASP A 108 1.832 -9.755 -1.077 1.00 0.00 N ATOM 1816 CA ASP A 108 1.699 -10.675 0.066 1.00 0.00 C ATOM 1817 C ASP A 108 2.374 -10.045 1.315 1.00 0.00 C ATOM 1818 O ASP A 108 3.273 -9.205 1.185 1.00 0.00 O ATOM 1819 CB ASP A 108 2.333 -12.037 -0.327 1.00 0.00 C ATOM 1820 CG ASP A 108 2.252 -13.111 0.768 1.00 0.00 C ATOM 1821 OD1 ASP A 108 1.151 -13.637 1.018 1.00 0.00 O ATOM 1822 OD2 ASP A 108 3.285 -13.438 1.374 1.00 0.00 O ATOM 0 H ASP A 108 2.783 -9.707 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 108 0.653 -10.847 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.837 -12.410 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.380 -11.876 -0.585 1.00 0.00 H new ATOM 1827 N ALA A 109 1.937 -10.452 2.519 1.00 0.00 N ATOM 1828 CA ALA A 109 2.417 -9.888 3.808 1.00 0.00 C ATOM 1829 C ALA A 109 3.715 -10.570 4.274 1.00 0.00 C ATOM 1830 O ALA A 109 4.330 -10.144 5.261 1.00 0.00 O ATOM 1831 CB ALA A 109 1.312 -10.001 4.878 1.00 0.00 C ATOM 0 H ALA A 109 1.237 -11.185 2.634 1.00 0.00 H new ATOM 0 HA ALA A 109 2.647 -8.834 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.673 -9.585 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.431 -9.448 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.050 -11.049 5.021 1.00 0.00 H new ATOM 1837 N SER A 110 4.126 -11.619 3.550 1.00 0.00 N ATOM 1838 CA SER A 110 5.394 -12.324 3.778 1.00 0.00 C ATOM 1839 C SER A 110 6.260 -12.252 2.497 1.00 0.00 C ATOM 1840 O SER A 110 7.139 -13.091 2.270 1.00 0.00 O ATOM 1841 CB SER A 110 5.106 -13.783 4.202 1.00 0.00 C ATOM 1842 OG SER A 110 6.288 -14.455 4.619 1.00 0.00 O ATOM 0 H SER A 110 3.581 -12.007 2.780 1.00 0.00 H new ATOM 0 HA SER A 110 5.952 -11.849 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.379 -13.789 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.657 -14.322 3.368 1.00 0.00 H new ATOM 0 HG SER A 110 7.011 -14.268 3.985 1.00 0.00 H new ATOM 1848 N ALA A 111 6.019 -11.201 1.691 1.00 0.00 N ATOM 1849 CA ALA A 111 6.660 -11.014 0.373 1.00 0.00 C ATOM 1850 C ALA A 111 7.996 -10.272 0.502 1.00 0.00 C ATOM 1851 O ALA A 111 8.179 -9.450 1.411 1.00 0.00 O ATOM 1852 CB ALA A 111 5.719 -10.254 -0.570 1.00 0.00 C ATOM 0 H ALA A 111 5.371 -10.453 1.936 1.00 0.00 H new ATOM 0 HA ALA A 111 6.864 -12.000 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.202 -10.122 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.797 -10.821 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.488 -9.278 -0.144 1.00 0.00 H new ATOM 1858 N GLU A 112 8.914 -10.570 -0.431 1.00 0.00 N ATOM 1859 CA GLU A 112 10.245 -9.946 -0.507 1.00 0.00 C ATOM 1860 C GLU A 112 10.334 -9.050 -1.772 1.00 0.00 C ATOM 1861 O GLU A 112 9.305 -8.696 -2.348 1.00 0.00 O ATOM 1862 CB GLU A 112 11.331 -11.071 -0.445 1.00 0.00 C ATOM 1863 CG GLU A 112 11.200 -12.215 -1.491 1.00 0.00 C ATOM 1864 CD GLU A 112 11.682 -11.835 -2.904 1.00 0.00 C ATOM 1865 OE1 GLU A 112 12.865 -11.457 -3.045 1.00 0.00 O ATOM 1866 OE2 GLU A 112 10.885 -11.883 -3.864 1.00 0.00 O ATOM 0 H GLU A 112 8.751 -11.260 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 112 10.424 -9.284 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 112 12.310 -10.608 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.308 -11.514 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.770 -13.077 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.156 -12.524 -1.546 1.00 0.00 H new ATOM 1873 N TYR A 113 11.563 -8.710 -2.209 1.00 0.00 N ATOM 1874 CA TYR A 113 11.810 -7.744 -3.304 1.00 0.00 C ATOM 1875 C TYR A 113 11.876 -8.451 -4.688 1.00 0.00 C ATOM 1876 O TYR A 113 12.945 -8.860 -5.157 1.00 0.00 O ATOM 1877 CB TYR A 113 13.095 -6.892 -3.002 1.00 0.00 C ATOM 1878 CG TYR A 113 14.314 -7.691 -2.479 1.00 0.00 C ATOM 1879 CD1 TYR A 113 14.427 -8.029 -1.122 1.00 0.00 C ATOM 1880 CD2 TYR A 113 15.343 -8.110 -3.330 1.00 0.00 C ATOM 1881 CE1 TYR A 113 15.507 -8.752 -0.645 1.00 0.00 C ATOM 1882 CE2 TYR A 113 16.427 -8.833 -2.853 1.00 0.00 C ATOM 1883 CZ TYR A 113 16.504 -9.153 -1.511 1.00 0.00 C ATOM 1884 OH TYR A 113 17.578 -9.881 -1.036 1.00 0.00 O ATOM 0 H TYR A 113 12.418 -9.099 -1.812 1.00 0.00 H new ATOM 0 HA TYR A 113 10.966 -7.057 -3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 113 13.387 -6.371 -3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.840 -6.129 -2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 113 13.654 -7.718 -0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 113 15.292 -7.865 -4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 113 15.569 -9.002 0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 113 17.209 -9.145 -3.529 1.00 0.00 H new ATOM 0 HH TYR A 113 18.188 -10.084 -1.775 1.00 0.00 H new ATOM 1894 N GLY A 114 10.696 -8.614 -5.312 1.00 0.00 N ATOM 1895 CA GLY A 114 10.560 -9.151 -6.680 1.00 0.00 C ATOM 1896 C GLY A 114 9.385 -8.496 -7.403 1.00 0.00 C ATOM 1897 O GLY A 114 8.652 -7.732 -6.793 1.00 0.00 O ATOM 0 H GLY A 114 9.803 -8.376 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.480 -8.976 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.412 -10.230 -6.639 1.00 0.00 H new ATOM 1901 N GLN A 115 9.181 -8.799 -8.696 1.00 0.00 N ATOM 1902 CA GLN A 115 8.142 -8.122 -9.519 1.00 0.00 C ATOM 1903 C GLN A 115 6.709 -8.561 -9.131 1.00 0.00 C ATOM 1904 O GLN A 115 5.790 -7.737 -9.080 1.00 0.00 O ATOM 1905 CB GLN A 115 8.403 -8.378 -11.025 1.00 0.00 C ATOM 1906 CG GLN A 115 7.434 -7.637 -11.978 1.00 0.00 C ATOM 1907 CD GLN A 115 7.719 -7.831 -13.473 1.00 0.00 C ATOM 1908 OE1 GLN A 115 8.987 -7.984 -13.846 1.00 0.00 O flip ATOM 1909 NE2 GLN A 115 6.799 -7.813 -14.296 1.00 0.00 N flip ATOM 0 H GLN A 115 9.716 -9.506 -9.201 1.00 0.00 H new ATOM 0 HA GLN A 115 8.212 -7.053 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.424 -8.078 -11.260 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.333 -9.449 -11.216 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.418 -7.972 -11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.470 -6.571 -11.752 1.00 0.00 H new ATOM 0 HE21 GLN A 115 5.836 -7.694 -13.982 1.00 0.00 H new ATOM 0 HE22 GLN A 115 7.002 -7.917 -15.290 1.00 0.00 H new ATOM 1918 N PHE A 116 6.536 -9.862 -8.870 1.00 0.00 N ATOM 1919 CA PHE A 116 5.236 -10.428 -8.469 1.00 0.00 C ATOM 1920 C PHE A 116 4.991 -10.211 -6.964 1.00 0.00 C ATOM 1921 O PHE A 116 3.856 -9.972 -6.539 1.00 0.00 O ATOM 1922 CB PHE A 116 5.173 -11.941 -8.819 1.00 0.00 C ATOM 1923 CG PHE A 116 3.864 -12.632 -8.415 1.00 0.00 C ATOM 1924 CD1 PHE A 116 2.672 -12.351 -9.087 1.00 0.00 C ATOM 1925 CD2 PHE A 116 3.821 -13.539 -7.350 1.00 0.00 C ATOM 1926 CE1 PHE A 116 1.489 -12.958 -8.714 1.00 0.00 C ATOM 1927 CE2 PHE A 116 2.632 -14.144 -6.978 1.00 0.00 C ATOM 1928 CZ PHE A 116 1.467 -13.852 -7.659 1.00 0.00 C ATOM 0 H PHE A 116 7.286 -10.551 -8.929 1.00 0.00 H new ATOM 0 HA PHE A 116 4.451 -9.912 -9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 116 5.315 -12.059 -9.893 1.00 0.00 H new ATOM 0 HB3 PHE A 116 6.004 -12.449 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.676 -11.650 -9.909 1.00 0.00 H new ATOM 0 HD2 PHE A 116 4.728 -13.770 -6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 116 0.578 -12.734 -9.248 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.616 -14.844 -6.156 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.539 -14.321 -7.368 1.00 0.00 H new ATOM 1938 N THR A 117 6.071 -10.306 -6.170 1.00 0.00 N ATOM 1939 CA THR A 117 5.996 -10.254 -4.701 1.00 0.00 C ATOM 1940 C THR A 117 5.770 -8.807 -4.211 1.00 0.00 C ATOM 1941 O THR A 117 5.061 -8.585 -3.230 1.00 0.00 O ATOM 1942 CB THR A 117 7.286 -10.862 -4.078 1.00 0.00 C ATOM 1943 OG1 THR A 117 8.431 -10.167 -4.587 1.00 0.00 O ATOM 1944 CG2 THR A 117 7.426 -12.363 -4.399 1.00 0.00 C ATOM 0 H THR A 117 7.019 -10.421 -6.528 1.00 0.00 H new ATOM 0 HA THR A 117 5.143 -10.848 -4.375 1.00 0.00 H new ATOM 0 HB THR A 117 7.217 -10.752 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.857 -9.664 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.339 -12.748 -3.946 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.567 -12.902 -3.999 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.471 -12.501 -5.479 1.00 0.00 H new ATOM 1952 N THR A 118 6.386 -7.835 -4.904 1.00 0.00 N ATOM 1953 CA THR A 118 6.100 -6.400 -4.733 1.00 0.00 C ATOM 1954 C THR A 118 5.646 -5.827 -6.090 1.00 0.00 C ATOM 1955 O THR A 118 6.410 -5.836 -7.057 1.00 0.00 O ATOM 1956 CB THR A 118 7.336 -5.590 -4.171 1.00 0.00 C ATOM 1957 OG1 THR A 118 8.502 -5.794 -4.981 1.00 0.00 O ATOM 1958 CG2 THR A 118 7.677 -5.950 -2.714 1.00 0.00 C ATOM 0 H THR A 118 7.103 -8.024 -5.605 1.00 0.00 H new ATOM 0 HA THR A 118 5.310 -6.296 -3.990 1.00 0.00 H new ATOM 0 HB THR A 118 7.038 -4.542 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.262 -6.317 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 118 8.534 -5.362 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.821 -5.733 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.919 -7.011 -2.648 1.00 0.00 H new ATOM 1966 N CYS A 119 4.405 -5.324 -6.141 1.00 0.00 N ATOM 1967 CA CYS A 119 3.799 -4.759 -7.352 1.00 0.00 C ATOM 1968 C CYS A 119 3.951 -3.231 -7.355 1.00 0.00 C ATOM 1969 O CYS A 119 3.933 -2.585 -6.294 1.00 0.00 O ATOM 1970 CB CYS A 119 2.300 -5.123 -7.411 1.00 0.00 C ATOM 1971 SG CYS A 119 1.411 -4.353 -8.778 1.00 0.00 S ATOM 0 H CYS A 119 3.786 -5.298 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 119 4.308 -5.174 -8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 119 2.203 -6.206 -7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 119 1.828 -4.830 -6.473 1.00 0.00 H new ATOM 0 HG CYS A 119 0.136 -4.357 -8.524 1.00 0.00 H new ATOM 1977 N PHE A 120 4.101 -2.671 -8.563 1.00 0.00 N ATOM 1978 CA PHE A 120 4.323 -1.238 -8.768 1.00 0.00 C ATOM 1979 C PHE A 120 2.963 -0.517 -8.771 1.00 0.00 C ATOM 1980 O PHE A 120 2.177 -0.668 -9.717 1.00 0.00 O ATOM 1981 CB PHE A 120 5.065 -1.007 -10.113 1.00 0.00 C ATOM 1982 CG PHE A 120 6.293 -1.896 -10.334 1.00 0.00 C ATOM 1983 CD1 PHE A 120 7.551 -1.525 -9.861 1.00 0.00 C ATOM 1984 CD2 PHE A 120 6.189 -3.098 -11.036 1.00 0.00 C ATOM 1985 CE1 PHE A 120 8.660 -2.319 -10.083 1.00 0.00 C ATOM 1986 CE2 PHE A 120 7.298 -3.894 -11.251 1.00 0.00 C ATOM 1987 CZ PHE A 120 8.533 -3.506 -10.777 1.00 0.00 C ATOM 0 H PHE A 120 4.071 -3.206 -9.431 1.00 0.00 H new ATOM 0 HA PHE A 120 4.940 -0.838 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.364 -1.172 -10.931 1.00 0.00 H new ATOM 0 HB3 PHE A 120 5.376 0.036 -10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 120 7.661 -0.602 -9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.228 -3.410 -11.417 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.627 -2.011 -9.713 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.197 -4.823 -11.792 1.00 0.00 H new ATOM 0 HZ PHE A 120 9.399 -4.129 -10.948 1.00 0.00 H new ATOM 1997 N VAL A 121 2.676 0.228 -7.691 1.00 0.00 N ATOM 1998 CA VAL A 121 1.416 0.994 -7.527 1.00 0.00 C ATOM 1999 C VAL A 121 1.743 2.464 -7.184 1.00 0.00 C ATOM 2000 O VAL A 121 2.908 2.874 -7.220 1.00 0.00 O ATOM 2001 CB VAL A 121 0.492 0.363 -6.407 1.00 0.00 C ATOM 2002 CG1 VAL A 121 0.074 -1.093 -6.751 1.00 0.00 C ATOM 2003 CG2 VAL A 121 1.168 0.442 -5.018 1.00 0.00 C ATOM 0 H VAL A 121 3.312 0.320 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 121 0.868 0.952 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.422 0.956 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.559 -1.487 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.477 -1.101 -7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.965 -1.714 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.511 0.001 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.111 -0.105 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.359 1.485 -4.765 1.00 0.00 H new ATOM 2013 N VAL A 122 0.699 3.254 -6.882 1.00 0.00 N ATOM 2014 CA VAL A 122 0.847 4.635 -6.385 1.00 0.00 C ATOM 2015 C VAL A 122 0.900 4.632 -4.839 1.00 0.00 C ATOM 2016 O VAL A 122 0.616 3.599 -4.206 1.00 0.00 O ATOM 2017 CB VAL A 122 -0.323 5.553 -6.918 1.00 0.00 C ATOM 2018 CG1 VAL A 122 -0.398 5.514 -8.468 1.00 0.00 C ATOM 2019 CG2 VAL A 122 -1.691 5.184 -6.281 1.00 0.00 C ATOM 0 H VAL A 122 -0.272 2.955 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 122 1.782 5.049 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.095 6.575 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.212 6.154 -8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.543 5.869 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.579 4.491 -8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.466 5.841 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.936 4.149 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.632 5.303 -5.199 1.00 0.00 H new ATOM 2029 N ARG A 123 1.265 5.789 -4.247 1.00 0.00 N ATOM 2030 CA ARG A 123 1.350 5.961 -2.775 1.00 0.00 C ATOM 2031 C ARG A 123 0.060 5.513 -2.072 1.00 0.00 C ATOM 2032 O ARG A 123 0.118 4.747 -1.110 1.00 0.00 O ATOM 2033 CB ARG A 123 1.635 7.438 -2.378 1.00 0.00 C ATOM 2034 CG ARG A 123 3.088 7.915 -2.574 1.00 0.00 C ATOM 2035 CD ARG A 123 3.348 9.277 -1.891 1.00 0.00 C ATOM 2036 NE ARG A 123 4.687 9.823 -2.170 1.00 0.00 N ATOM 2037 CZ ARG A 123 5.708 9.883 -1.302 1.00 0.00 C ATOM 2038 NH1 ARG A 123 5.593 9.399 -0.072 1.00 0.00 N ATOM 2039 NH2 ARG A 123 6.843 10.440 -1.680 1.00 0.00 N ATOM 0 H ARG A 123 1.509 6.629 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 123 2.179 5.332 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 123 0.978 8.084 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.367 7.571 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 123 3.772 7.170 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 123 3.302 7.997 -3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 123 2.595 9.992 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 123 3.227 9.164 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 123 4.853 10.188 -3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 123 4.717 8.972 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 123 6.381 9.454 0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 123 6.936 10.819 -2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 123 7.627 10.492 -1.030 1.00 0.00 H new ATOM 2053 N LEU A 124 -1.089 5.993 -2.592 1.00 0.00 N ATOM 2054 CA LEU A 124 -2.418 5.792 -1.967 1.00 0.00 C ATOM 2055 C LEU A 124 -2.683 4.288 -1.705 1.00 0.00 C ATOM 2056 O LEU A 124 -3.129 3.910 -0.620 1.00 0.00 O ATOM 2057 CB LEU A 124 -3.557 6.415 -2.860 1.00 0.00 C ATOM 2058 CG LEU A 124 -4.710 7.179 -2.112 1.00 0.00 C ATOM 2059 CD1 LEU A 124 -5.389 6.324 -1.037 1.00 0.00 C ATOM 2060 CD2 LEU A 124 -4.200 8.501 -1.519 1.00 0.00 C ATOM 0 H LEU A 124 -1.124 6.532 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.421 6.307 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.095 7.105 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.006 5.613 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.470 7.403 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.176 6.904 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -5.823 5.437 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -4.652 6.023 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.017 9.009 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.399 8.296 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.822 9.137 -2.319 1.00 0.00 H new ATOM 2072 N GLN A 125 -2.344 3.448 -2.702 1.00 0.00 N ATOM 2073 CA GLN A 125 -2.588 1.997 -2.638 1.00 0.00 C ATOM 2074 C GLN A 125 -1.586 1.324 -1.685 1.00 0.00 C ATOM 2075 O GLN A 125 -1.982 0.466 -0.879 1.00 0.00 O ATOM 2076 CB GLN A 125 -2.513 1.346 -4.046 1.00 0.00 C ATOM 2077 CG GLN A 125 -3.336 2.044 -5.148 1.00 0.00 C ATOM 2078 CD GLN A 125 -4.762 2.417 -4.732 1.00 0.00 C ATOM 2079 OE1 GLN A 125 -5.010 3.533 -4.280 1.00 0.00 O ATOM 2080 NE2 GLN A 125 -5.698 1.486 -4.861 1.00 0.00 N ATOM 0 H GLN A 125 -1.897 3.754 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 125 -3.597 1.847 -2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -1.469 1.319 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -2.849 0.312 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -2.812 2.949 -5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -3.384 1.390 -6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.457 0.570 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.658 1.686 -4.581 1.00 0.00 H new ATOM 2089 N PHE A 126 -0.288 1.729 -1.790 1.00 0.00 N ATOM 2090 CA PHE A 126 0.792 1.199 -0.928 1.00 0.00 C ATOM 2091 C PHE A 126 0.422 1.327 0.550 1.00 0.00 C ATOM 2092 O PHE A 126 0.378 0.327 1.279 1.00 0.00 O ATOM 2093 CB PHE A 126 2.150 1.912 -1.198 1.00 0.00 C ATOM 2094 CG PHE A 126 3.244 1.593 -0.157 1.00 0.00 C ATOM 2095 CD1 PHE A 126 3.812 0.323 -0.076 1.00 0.00 C ATOM 2096 CD2 PHE A 126 3.682 2.559 0.756 1.00 0.00 C ATOM 2097 CE1 PHE A 126 4.779 0.027 0.873 1.00 0.00 C ATOM 2098 CE2 PHE A 126 4.647 2.262 1.706 1.00 0.00 C ATOM 2099 CZ PHE A 126 5.195 0.997 1.763 1.00 0.00 C ATOM 0 H PHE A 126 0.029 2.423 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 126 0.909 0.144 -1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 126 2.509 1.626 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 126 1.985 2.989 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 126 3.493 -0.445 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 126 3.261 3.553 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 126 5.207 -0.964 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 126 4.970 3.022 2.402 1.00 0.00 H new ATOM 0 HZ PHE A 126 5.948 0.766 2.502 1.00 0.00 H new ATOM 2109 N TYR A 127 0.128 2.575 0.950 1.00 0.00 N ATOM 2110 CA TYR A 127 -0.217 2.914 2.326 1.00 0.00 C ATOM 2111 C TYR A 127 -1.428 2.089 2.765 1.00 0.00 C ATOM 2112 O TYR A 127 -1.305 1.279 3.653 1.00 0.00 O ATOM 2113 CB TYR A 127 -0.488 4.440 2.470 1.00 0.00 C ATOM 2114 CG TYR A 127 0.744 5.312 2.183 1.00 0.00 C ATOM 2115 CD1 TYR A 127 1.981 5.002 2.746 1.00 0.00 C ATOM 2116 CD2 TYR A 127 0.672 6.441 1.375 1.00 0.00 C ATOM 2117 CE1 TYR A 127 3.095 5.772 2.505 1.00 0.00 C ATOM 2118 CE2 TYR A 127 1.788 7.216 1.131 1.00 0.00 C ATOM 2119 CZ TYR A 127 2.992 6.879 1.697 1.00 0.00 C ATOM 2120 OH TYR A 127 4.097 7.652 1.443 1.00 0.00 O ATOM 0 H TYR A 127 0.125 3.376 0.319 1.00 0.00 H new ATOM 0 HA TYR A 127 0.624 2.673 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -1.291 4.724 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -0.840 4.644 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 127 2.067 4.137 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -0.273 6.716 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 127 4.044 5.508 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 127 1.714 8.086 0.496 1.00 0.00 H new ATOM 0 HH TYR A 127 4.901 7.093 1.472 1.00 0.00 H new ATOM 2130 N ALA A 128 -2.535 2.224 2.025 1.00 0.00 N ATOM 2131 CA ALA A 128 -3.866 1.684 2.390 1.00 0.00 C ATOM 2132 C ALA A 128 -3.857 0.193 2.829 1.00 0.00 C ATOM 2133 O ALA A 128 -4.306 -0.148 3.944 1.00 0.00 O ATOM 2134 CB ALA A 128 -4.804 1.894 1.209 1.00 0.00 C ATOM 0 H ALA A 128 -2.539 2.721 1.135 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.209 2.228 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.792 1.504 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.879 2.959 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.414 1.370 0.337 1.00 0.00 H new ATOM 2140 N PHE A 129 -3.323 -0.682 1.955 1.00 0.00 N ATOM 2141 CA PHE A 129 -3.226 -2.136 2.233 1.00 0.00 C ATOM 2142 C PHE A 129 -2.216 -2.428 3.368 1.00 0.00 C ATOM 2143 O PHE A 129 -2.442 -3.325 4.192 1.00 0.00 O ATOM 2144 CB PHE A 129 -2.832 -2.923 0.953 1.00 0.00 C ATOM 2145 CG PHE A 129 -3.924 -2.996 -0.115 1.00 0.00 C ATOM 2146 CD1 PHE A 129 -4.918 -3.974 -0.044 1.00 0.00 C ATOM 2147 CD2 PHE A 129 -3.952 -2.107 -1.192 1.00 0.00 C ATOM 2148 CE1 PHE A 129 -5.904 -4.055 -1.009 1.00 0.00 C ATOM 2149 CE2 PHE A 129 -4.936 -2.190 -2.159 1.00 0.00 C ATOM 2150 CZ PHE A 129 -5.910 -3.166 -2.069 1.00 0.00 C ATOM 0 H PHE A 129 -2.950 -0.410 1.046 1.00 0.00 H new ATOM 0 HA PHE A 129 -4.211 -2.470 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.947 -2.460 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -2.554 -3.938 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -4.916 -4.677 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -3.193 -1.343 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -6.670 -4.813 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -4.944 -1.493 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 129 -6.677 -3.235 -2.827 1.00 0.00 H new ATOM 2160 N GLU A 130 -1.117 -1.650 3.411 1.00 0.00 N ATOM 2161 CA GLU A 130 -0.036 -1.846 4.397 1.00 0.00 C ATOM 2162 C GLU A 130 -0.450 -1.325 5.800 1.00 0.00 C ATOM 2163 O GLU A 130 0.080 -1.778 6.816 1.00 0.00 O ATOM 2164 CB GLU A 130 1.275 -1.165 3.910 1.00 0.00 C ATOM 2165 CG GLU A 130 2.547 -1.651 4.629 1.00 0.00 C ATOM 2166 CD GLU A 130 2.730 -3.181 4.537 1.00 0.00 C ATOM 2167 OE1 GLU A 130 2.959 -3.702 3.416 1.00 0.00 O ATOM 2168 OE2 GLU A 130 2.615 -3.870 5.578 1.00 0.00 O ATOM 0 H GLU A 130 -0.954 -0.874 2.769 1.00 0.00 H new ATOM 0 HA GLU A 130 0.148 -2.916 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.387 -1.342 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.183 -0.088 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 130 3.417 -1.158 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 130 2.503 -1.356 5.677 1.00 0.00 H new ATOM 2175 N ILE A 131 -1.415 -0.377 5.838 1.00 0.00 N ATOM 2176 CA ILE A 131 -2.008 0.142 7.089 1.00 0.00 C ATOM 2177 C ILE A 131 -2.825 -0.981 7.727 1.00 0.00 C ATOM 2178 O ILE A 131 -2.710 -1.251 8.922 1.00 0.00 O ATOM 2179 CB ILE A 131 -2.938 1.396 6.833 1.00 0.00 C ATOM 2180 CG1 ILE A 131 -2.126 2.596 6.272 1.00 0.00 C ATOM 2181 CG2 ILE A 131 -3.701 1.819 8.113 1.00 0.00 C ATOM 2182 CD1 ILE A 131 -2.954 3.681 5.602 1.00 0.00 C ATOM 0 H ILE A 131 -1.805 0.050 4.998 1.00 0.00 H new ATOM 0 HA ILE A 131 -1.203 0.469 7.748 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.673 1.095 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.561 3.045 7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -1.400 2.218 5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -4.328 2.683 7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.327 0.994 8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.986 2.078 8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.296 4.473 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -3.499 3.255 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.662 4.094 6.321 1.00 0.00 H new ATOM 2194 N ALA A 132 -3.632 -1.647 6.879 1.00 0.00 N ATOM 2195 CA ALA A 132 -4.439 -2.804 7.283 1.00 0.00 C ATOM 2196 C ALA A 132 -3.556 -3.922 7.879 1.00 0.00 C ATOM 2197 O ALA A 132 -3.904 -4.509 8.901 1.00 0.00 O ATOM 2198 CB ALA A 132 -5.250 -3.322 6.096 1.00 0.00 C ATOM 0 H ALA A 132 -3.740 -1.395 5.897 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.130 -2.483 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -5.845 -4.180 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -5.912 -2.534 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -4.573 -3.621 5.296 1.00 0.00 H new ATOM 2204 N ARG A 133 -2.394 -4.173 7.241 1.00 0.00 N ATOM 2205 CA ARG A 133 -1.411 -5.166 7.726 1.00 0.00 C ATOM 2206 C ARG A 133 -0.802 -4.741 9.069 1.00 0.00 C ATOM 2207 O ARG A 133 -0.647 -5.570 9.966 1.00 0.00 O ATOM 2208 CB ARG A 133 -0.279 -5.380 6.693 1.00 0.00 C ATOM 2209 CG ARG A 133 -0.734 -6.003 5.366 1.00 0.00 C ATOM 2210 CD ARG A 133 0.443 -6.247 4.410 1.00 0.00 C ATOM 2211 NE ARG A 133 -0.002 -6.872 3.158 1.00 0.00 N ATOM 2212 CZ ARG A 133 0.292 -6.446 1.929 1.00 0.00 C ATOM 2213 NH1 ARG A 133 1.074 -5.379 1.732 1.00 0.00 N ATOM 2214 NH2 ARG A 133 -0.204 -7.096 0.890 1.00 0.00 N ATOM 0 H ARG A 133 -2.112 -3.699 6.383 1.00 0.00 H new ATOM 0 HA ARG A 133 -1.948 -6.104 7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.192 -4.419 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.484 -6.020 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.241 -6.947 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.460 -5.346 4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.937 -5.300 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.181 -6.886 4.895 1.00 0.00 H new ATOM 0 HE ARG A 133 -0.587 -7.704 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.458 -4.874 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.286 -5.070 0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -0.801 -7.910 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.011 -6.784 -0.057 1.00 0.00 H new ATOM 2228 N ASN A 134 -0.477 -3.444 9.189 1.00 0.00 N ATOM 2229 CA ASN A 134 0.180 -2.875 10.390 1.00 0.00 C ATOM 2230 C ASN A 134 -0.738 -3.006 11.628 1.00 0.00 C ATOM 2231 O ASN A 134 -0.293 -3.385 12.717 1.00 0.00 O ATOM 2232 CB ASN A 134 0.552 -1.380 10.136 1.00 0.00 C ATOM 2233 CG ASN A 134 1.486 -0.775 11.194 1.00 0.00 C ATOM 2234 OD1 ASN A 134 2.344 -1.462 11.746 1.00 0.00 O ATOM 2235 ND2 ASN A 134 1.331 0.517 11.483 1.00 0.00 N ATOM 0 H ASN A 134 -0.660 -2.755 8.459 1.00 0.00 H new ATOM 0 HA ASN A 134 1.094 -3.435 10.587 1.00 0.00 H new ATOM 0 HB2 ASN A 134 1.027 -1.296 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 134 -0.364 -0.791 10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 134 1.932 0.960 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 134 0.611 1.063 11.009 1.00 0.00 H new ATOM 2242 N LYS A 135 -2.039 -2.724 11.420 1.00 0.00 N ATOM 2243 CA LYS A 135 -3.068 -2.761 12.481 1.00 0.00 C ATOM 2244 C LYS A 135 -3.493 -4.214 12.804 1.00 0.00 C ATOM 2245 O LYS A 135 -3.904 -4.511 13.930 1.00 0.00 O ATOM 2246 CB LYS A 135 -4.301 -1.910 12.053 1.00 0.00 C ATOM 2247 CG LYS A 135 -3.958 -0.446 11.687 1.00 0.00 C ATOM 2248 CD LYS A 135 -5.176 0.358 11.172 1.00 0.00 C ATOM 2249 CE LYS A 135 -6.164 0.750 12.281 1.00 0.00 C ATOM 2250 NZ LYS A 135 -5.565 1.710 13.246 1.00 0.00 N ATOM 0 H LYS A 135 -2.409 -2.462 10.506 1.00 0.00 H new ATOM 0 HA LYS A 135 -2.640 -2.335 13.388 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -4.778 -2.386 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -5.029 -1.910 12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -3.546 0.053 12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -3.180 -0.442 10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -4.822 1.262 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -5.700 -0.233 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.054 1.193 11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.486 -0.145 12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.646 1.329 14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -4.562 1.855 13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.068 2.619 13.189 1.00 0.00 H new ATOM 2264 N HIS A 136 -3.385 -5.116 11.804 1.00 0.00 N ATOM 2265 CA HIS A 136 -3.737 -6.553 11.957 1.00 0.00 C ATOM 2266 C HIS A 136 -2.500 -7.414 12.314 1.00 0.00 C ATOM 2267 O HIS A 136 -2.641 -8.626 12.498 1.00 0.00 O ATOM 2268 CB HIS A 136 -4.430 -7.095 10.665 1.00 0.00 C ATOM 2269 CG HIS A 136 -5.886 -6.714 10.517 1.00 0.00 C ATOM 2270 ND1 HIS A 136 -6.349 -5.811 9.579 1.00 0.00 N ATOM 2271 CD2 HIS A 136 -6.984 -7.151 11.182 1.00 0.00 C ATOM 2272 CE1 HIS A 136 -7.662 -5.715 9.671 1.00 0.00 C ATOM 2273 NE2 HIS A 136 -8.072 -6.516 10.635 1.00 0.00 N ATOM 0 H HIS A 136 -3.053 -4.874 10.870 1.00 0.00 H new ATOM 0 HA HIS A 136 -4.440 -6.628 12.787 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -3.883 -6.729 9.796 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -4.351 -8.182 10.656 1.00 0.00 H new ATOM 0 HD1 HIS A 136 -5.766 -5.298 8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -7.000 -7.866 11.992 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -8.294 -5.087 9.060 1.00 0.00 H new ATOM 2282 N GLY A 137 -1.300 -6.789 12.401 1.00 0.00 N ATOM 2283 CA GLY A 137 -0.061 -7.494 12.798 1.00 0.00 C ATOM 2284 C GLY A 137 0.364 -8.603 11.825 1.00 0.00 C ATOM 2285 O GLY A 137 0.900 -9.637 12.239 1.00 0.00 O ATOM 0 H GLY A 137 -1.166 -5.798 12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 137 0.748 -6.768 12.881 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.203 -7.928 13.788 1.00 0.00 H new ATOM 2289 N LEU A 138 0.118 -8.371 10.526 1.00 0.00 N ATOM 2290 CA LEU A 138 0.461 -9.318 9.433 1.00 0.00 C ATOM 2291 C LEU A 138 1.927 -9.148 8.981 1.00 0.00 C ATOM 2292 O LEU A 138 2.479 -9.994 8.270 1.00 0.00 O ATOM 2293 CB LEU A 138 -0.501 -9.081 8.243 1.00 0.00 C ATOM 2294 CG LEU A 138 -2.014 -9.288 8.560 1.00 0.00 C ATOM 2295 CD1 LEU A 138 -2.896 -8.800 7.399 1.00 0.00 C ATOM 2296 CD2 LEU A 138 -2.311 -10.762 8.919 1.00 0.00 C ATOM 0 H LEU A 138 -0.328 -7.516 10.193 1.00 0.00 H new ATOM 0 HA LEU A 138 0.350 -10.338 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -0.359 -8.064 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -0.221 -9.752 7.431 1.00 0.00 H new ATOM 0 HG LEU A 138 -2.260 -8.683 9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.945 -8.957 7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.718 -7.738 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -2.650 -9.358 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -3.373 -10.877 9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.040 -11.403 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.729 -11.047 9.796 1.00 0.00 H new ATOM 2308 N ASN A 139 2.529 -8.032 9.407 1.00 0.00 N ATOM 2309 CA ASN A 139 3.921 -7.654 9.098 1.00 0.00 C ATOM 2310 C ASN A 139 4.776 -7.636 10.387 1.00 0.00 C ATOM 2311 O ASN A 139 5.940 -7.227 10.365 1.00 0.00 O ATOM 2312 CB ASN A 139 3.921 -6.267 8.395 1.00 0.00 C ATOM 2313 CG ASN A 139 3.318 -5.124 9.233 1.00 0.00 C ATOM 2314 OD1 ASN A 139 2.459 -5.341 10.091 1.00 0.00 O ATOM 2315 ND2 ASN A 139 3.743 -3.897 8.964 1.00 0.00 N ATOM 0 H ASN A 139 2.053 -7.346 9.992 1.00 0.00 H new ATOM 0 HA ASN A 139 4.365 -8.389 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.947 -6.007 8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 139 3.365 -6.348 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 139 3.358 -3.101 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 139 4.455 -3.749 8.249 1.00 0.00 H new ATOM 2322 N ASP A 140 4.189 -8.128 11.495 1.00 0.00 N ATOM 2323 CA ASP A 140 4.821 -8.119 12.833 1.00 0.00 C ATOM 2324 C ASP A 140 6.066 -9.032 12.890 1.00 0.00 C ATOM 2325 O ASP A 140 6.986 -8.774 13.661 1.00 0.00 O ATOM 2326 CB ASP A 140 3.787 -8.551 13.910 1.00 0.00 C ATOM 2327 CG ASP A 140 4.375 -8.636 15.341 1.00 0.00 C ATOM 2328 OD1 ASP A 140 4.640 -7.582 15.949 1.00 0.00 O ATOM 2329 OD2 ASP A 140 4.574 -9.761 15.856 1.00 0.00 O ATOM 0 H ASP A 140 3.258 -8.545 11.489 1.00 0.00 H new ATOM 0 HA ASP A 140 5.154 -7.101 13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 140 2.958 -7.843 13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 140 3.377 -9.523 13.637 1.00 0.00 H new ATOM 2334 N TRP A 141 6.086 -10.090 12.061 1.00 0.00 N ATOM 2335 CA TRP A 141 7.212 -11.056 12.000 1.00 0.00 C ATOM 2336 C TRP A 141 8.556 -10.377 11.623 1.00 0.00 C ATOM 2337 O TRP A 141 9.630 -10.865 11.995 1.00 0.00 O ATOM 2338 CB TRP A 141 6.885 -12.213 11.011 1.00 0.00 C ATOM 2339 CG TRP A 141 6.648 -11.757 9.584 1.00 0.00 C ATOM 2340 CD1 TRP A 141 5.502 -11.205 9.074 1.00 0.00 C ATOM 2341 CD2 TRP A 141 7.582 -11.807 8.493 1.00 0.00 C ATOM 2342 NE1 TRP A 141 5.677 -10.890 7.759 1.00 0.00 N ATOM 2343 CE2 TRP A 141 6.940 -11.253 7.376 1.00 0.00 C ATOM 2344 CE3 TRP A 141 8.902 -12.257 8.353 1.00 0.00 C ATOM 2345 CZ2 TRP A 141 7.564 -11.140 6.142 1.00 0.00 C ATOM 2346 CZ3 TRP A 141 9.518 -12.146 7.118 1.00 0.00 C ATOM 2347 CH2 TRP A 141 8.845 -11.580 6.026 1.00 0.00 C ATOM 0 H TRP A 141 5.328 -10.305 11.414 1.00 0.00 H new ATOM 0 HA TRP A 141 7.335 -11.469 13.001 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.707 -12.929 11.021 1.00 0.00 H new ATOM 0 HB3 TRP A 141 5.999 -12.740 11.365 1.00 0.00 H new ATOM 0 HD1 TRP A 141 4.592 -11.043 9.633 1.00 0.00 H new ATOM 0 HE1 TRP A 141 4.979 -10.454 7.157 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.429 -12.683 9.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 7.046 -10.714 5.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 10.531 -12.500 6.994 1.00 0.00 H new ATOM 0 HH2 TRP A 141 9.353 -11.492 5.077 1.00 0.00 H new ATOM 2358 N ILE A 142 8.472 -9.243 10.906 1.00 0.00 N ATOM 2359 CA ILE A 142 9.649 -8.485 10.423 1.00 0.00 C ATOM 2360 C ILE A 142 10.383 -7.784 11.593 1.00 0.00 C ATOM 2361 O ILE A 142 11.597 -7.571 11.529 1.00 0.00 O ATOM 2362 CB ILE A 142 9.216 -7.427 9.337 1.00 0.00 C ATOM 2363 CG1 ILE A 142 8.375 -8.115 8.219 1.00 0.00 C ATOM 2364 CG2 ILE A 142 10.432 -6.672 8.724 1.00 0.00 C ATOM 2365 CD1 ILE A 142 7.674 -7.168 7.263 1.00 0.00 C ATOM 0 H ILE A 142 7.582 -8.821 10.641 1.00 0.00 H new ATOM 0 HA ILE A 142 10.340 -9.195 9.967 1.00 0.00 H new ATOM 0 HB ILE A 142 8.602 -6.680 9.840 1.00 0.00 H new ATOM 0 HG12 ILE A 142 9.031 -8.768 7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 142 7.626 -8.751 8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 142 10.079 -5.956 7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 142 10.967 -6.144 9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 142 11.102 -7.388 8.247 1.00 0.00 H new ATOM 0 HD11 ILE A 142 7.117 -7.744 6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 142 6.987 -6.531 7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 142 8.414 -6.548 6.757 1.00 0.00 H new ATOM 2377 N VAL A 143 9.644 -7.462 12.680 1.00 0.00 N ATOM 2378 CA VAL A 143 10.217 -6.733 13.836 1.00 0.00 C ATOM 2379 C VAL A 143 11.249 -7.596 14.601 1.00 0.00 C ATOM 2380 O VAL A 143 12.153 -7.061 15.256 1.00 0.00 O ATOM 2381 CB VAL A 143 9.113 -6.164 14.819 1.00 0.00 C ATOM 2382 CG1 VAL A 143 7.965 -5.482 14.028 1.00 0.00 C ATOM 2383 CG2 VAL A 143 8.581 -7.234 15.817 1.00 0.00 C ATOM 0 H VAL A 143 8.656 -7.694 12.781 1.00 0.00 H new ATOM 0 HA VAL A 143 10.737 -5.871 13.418 1.00 0.00 H new ATOM 0 HB VAL A 143 9.595 -5.403 15.432 1.00 0.00 H new ATOM 0 HG11 VAL A 143 7.220 -5.100 14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.368 -4.658 13.440 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.500 -6.209 13.362 1.00 0.00 H new ATOM 0 HG21 VAL A 143 7.828 -6.785 16.464 1.00 0.00 H new ATOM 0 HG22 VAL A 143 8.137 -8.060 15.262 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.406 -7.607 16.425 1.00 0.00 H new ATOM 2393 N GLY A 144 11.115 -8.934 14.481 1.00 0.00 N ATOM 2394 CA GLY A 144 11.985 -9.892 15.167 1.00 0.00 C ATOM 2395 C GLY A 144 12.696 -10.836 14.203 1.00 0.00 C ATOM 2396 O GLY A 144 12.685 -12.060 14.399 1.00 0.00 O ATOM 0 H GLY A 144 10.398 -9.373 13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 144 12.728 -9.349 15.751 1.00 0.00 H new ATOM 0 HA3 GLY A 144 11.392 -10.476 15.870 1.00 0.00 H new ATOM 2400 N GLN A 145 13.290 -10.267 13.135 1.00 0.00 N ATOM 2401 CA GLN A 145 14.150 -11.028 12.202 1.00 0.00 C ATOM 2402 C GLN A 145 15.474 -11.411 12.903 1.00 0.00 C ATOM 2403 O GLN A 145 16.175 -10.536 13.431 1.00 0.00 O ATOM 2404 CB GLN A 145 14.424 -10.209 10.905 1.00 0.00 C ATOM 2405 CG GLN A 145 13.190 -9.980 10.010 1.00 0.00 C ATOM 2406 CD GLN A 145 12.574 -11.276 9.469 1.00 0.00 C ATOM 2407 OE1 GLN A 145 12.934 -11.746 8.392 1.00 0.00 O ATOM 2408 NE2 GLN A 145 11.655 -11.871 10.219 1.00 0.00 N ATOM 0 H GLN A 145 13.190 -9.281 12.895 1.00 0.00 H new ATOM 0 HA GLN A 145 13.630 -11.941 11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 145 14.837 -9.240 11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 145 15.187 -10.724 10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 145 12.434 -9.439 10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 145 13.473 -9.344 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 145 11.376 -11.457 11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 145 11.227 -12.742 9.906 1.00 0.00 H new ATOM 2417 N LYS A 146 15.778 -12.723 12.913 1.00 0.00 N ATOM 2418 CA LYS A 146 16.919 -13.300 13.650 1.00 0.00 C ATOM 2419 C LYS A 146 18.276 -12.759 13.112 1.00 0.00 C ATOM 2420 O LYS A 146 18.630 -13.079 11.957 1.00 0.00 O ATOM 2421 CB LYS A 146 16.878 -14.852 13.551 1.00 0.00 C ATOM 2422 CG LYS A 146 15.585 -15.509 14.095 1.00 0.00 C ATOM 2423 CD LYS A 146 15.605 -17.053 13.984 1.00 0.00 C ATOM 2424 CE LYS A 146 16.711 -17.694 14.835 1.00 0.00 C ATOM 2425 NZ LYS A 146 16.810 -19.158 14.614 1.00 0.00 N ATOM 2426 OXT LYS A 146 18.985 -12.027 13.847 1.00 0.00 O ATOM 0 H LYS A 146 15.233 -13.419 12.405 1.00 0.00 H new ATOM 0 HA LYS A 146 16.836 -13.002 14.695 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.001 -15.138 12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.731 -15.258 14.095 1.00 0.00 H new ATOM 0 HG2 LYS A 146 15.450 -15.226 15.139 1.00 0.00 H new ATOM 0 HG3 LYS A 146 14.727 -15.121 13.546 1.00 0.00 H new ATOM 0 HD2 LYS A 146 14.638 -17.448 14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 146 15.745 -17.336 12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 146 17.667 -17.227 14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 146 16.515 -17.500 15.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 17.569 -19.548 15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 15.907 -19.609 14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 17.024 -19.344 13.613 1.00 0.00 H new