USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=-0.0017) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 25:sc= -0.626! USER MOD Single : A 31 ASN : amide:sc= -0.0436 K(o=-0.044,f=-0.99) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 71:sc= 0.874 USER MOD Single : A 66 SER OG : rot 180:sc= -0.287 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0397 F(o=-2.6,f=-0.04) USER MOD Single : A 71 ASN : amide:sc= -0.385 K(o=-0.39,f=-3.5) USER MOD Single : A 74 ASN : amide:sc= -1 K(o=-1,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 77 HIS : no HE2:sc= -0.461 X(o=-0.46,f=-0.35) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0769 K(o=-0.077,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.727 F(o=-1.2,f=-0.73) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -30:sc= -0.13 USER MOD Single : A 103 SER OG : rot -52:sc= -0.22 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.497 10.608 -8.582 1.00 0.00 N ATOM 165 CA GLU A 15 -6.907 9.276 -8.991 1.00 0.00 C ATOM 166 C GLU A 15 -5.818 8.257 -8.649 1.00 0.00 C ATOM 167 O GLU A 15 -4.728 8.629 -8.218 1.00 0.00 O ATOM 168 CB GLU A 15 -7.244 9.239 -10.482 1.00 0.00 C ATOM 169 CG GLU A 15 -8.749 9.070 -10.701 1.00 0.00 C ATOM 170 CD GLU A 15 -9.069 8.864 -12.183 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.430 9.559 -13.003 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.944 8.016 -12.462 1.00 0.00 O ATOM 0 HA GLU A 15 -7.811 9.011 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.905 10.159 -10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.709 8.418 -10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.110 8.218 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.275 9.950 -10.331 1.00 0.00 H new ATOM 179 N PRO A 16 -6.160 6.958 -8.861 1.00 0.00 N ATOM 180 CA PRO A 16 -5.224 5.882 -8.580 1.00 0.00 C ATOM 181 C PRO A 16 -4.137 5.807 -9.655 1.00 0.00 C ATOM 182 O PRO A 16 -4.353 6.224 -10.792 1.00 0.00 O ATOM 183 CB PRO A 16 -6.078 4.626 -8.510 1.00 0.00 C ATOM 184 CG PRO A 16 -7.383 4.969 -9.210 1.00 0.00 C ATOM 185 CD PRO A 16 -7.442 6.480 -9.371 1.00 0.00 C ATOM 0 HA PRO A 16 -4.680 6.030 -7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.581 3.788 -8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.255 4.332 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.435 4.479 -10.182 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.233 4.614 -8.628 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.583 6.762 -10.415 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.275 6.906 -8.811 1.00 0.00 H new ATOM 193 N ARG A 17 -2.992 5.273 -9.256 1.00 0.00 N ATOM 194 CA ARG A 17 -1.871 5.138 -10.171 1.00 0.00 C ATOM 195 C ARG A 17 -1.108 3.842 -9.887 1.00 0.00 C ATOM 196 O ARG A 17 -1.462 3.095 -8.976 1.00 0.00 O ATOM 197 CB ARG A 17 -0.913 6.324 -10.046 1.00 0.00 C ATOM 198 CG ARG A 17 -0.821 6.805 -8.596 1.00 0.00 C ATOM 199 CD ARG A 17 0.638 6.960 -8.161 1.00 0.00 C ATOM 200 NE ARG A 17 1.349 7.866 -9.090 1.00 0.00 N ATOM 201 CZ ARG A 17 1.135 9.187 -9.163 1.00 0.00 C ATOM 202 NH1 ARG A 17 0.228 9.763 -8.363 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.827 9.931 -10.036 1.00 0.00 N ATOM 0 H ARG A 17 -2.816 4.929 -8.312 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.271 5.114 -11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.077 6.036 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.254 7.140 -10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.338 7.759 -8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.326 6.095 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.684 7.357 -7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.127 5.986 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 17 2.046 7.460 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.299 9.196 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.065 10.768 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.517 9.492 -10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.664 10.936 -10.091 1.00 0.00 H new ATOM 217 N LYS A 18 -0.074 3.615 -10.685 1.00 0.00 N ATOM 218 CA LYS A 18 0.742 2.423 -10.531 1.00 0.00 C ATOM 219 C LYS A 18 2.083 2.806 -9.902 1.00 0.00 C ATOM 220 O LYS A 18 2.759 3.717 -10.379 1.00 0.00 O ATOM 221 CB LYS A 18 0.876 1.690 -11.867 1.00 0.00 C ATOM 222 CG LYS A 18 1.623 0.366 -11.693 1.00 0.00 C ATOM 223 CD LYS A 18 1.524 -0.490 -12.958 1.00 0.00 C ATOM 224 CE LYS A 18 0.347 -1.463 -12.871 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.622 -1.203 -13.959 1.00 0.00 N ATOM 0 H LYS A 18 0.217 4.237 -11.440 1.00 0.00 H new ATOM 0 HA LYS A 18 0.262 1.717 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.114 1.501 -12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.407 2.320 -12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.670 0.563 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.209 -0.181 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.404 0.154 -13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.451 -1.046 -13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.710 -2.489 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.146 -1.361 -11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.415 -1.872 -13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.981 -0.230 -13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.152 -1.323 -14.879 1.00 0.00 H new ATOM 239 N ILE A 19 2.429 2.091 -8.841 1.00 0.00 N ATOM 240 CA ILE A 19 3.677 2.345 -8.143 1.00 0.00 C ATOM 241 C ILE A 19 4.430 1.026 -7.958 1.00 0.00 C ATOM 242 O ILE A 19 3.990 0.155 -7.210 1.00 0.00 O ATOM 243 CB ILE A 19 3.416 3.092 -6.833 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.663 4.399 -7.088 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.718 3.322 -6.064 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.634 4.664 -5.987 1.00 0.00 C ATOM 0 H ILE A 19 1.866 1.336 -8.448 1.00 0.00 H new ATOM 0 HA ILE A 19 4.318 2.999 -8.734 1.00 0.00 H new ATOM 0 HB ILE A 19 2.778 2.469 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.370 5.227 -7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.162 4.351 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.504 3.855 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.178 2.361 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.401 3.914 -6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.113 5.599 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.914 3.846 -5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.141 4.736 -5.025 1.00 0.00 H new ATOM 258 N ILE A 20 5.553 0.921 -8.654 1.00 0.00 N ATOM 259 CA ILE A 20 6.372 -0.277 -8.576 1.00 0.00 C ATOM 260 C ILE A 20 7.548 -0.025 -7.631 1.00 0.00 C ATOM 261 O ILE A 20 8.466 0.723 -7.962 1.00 0.00 O ATOM 262 CB ILE A 20 6.794 -0.729 -9.976 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.677 -1.525 -10.654 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.107 -1.512 -9.926 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.404 -0.995 -12.063 1.00 0.00 C ATOM 0 H ILE A 20 5.915 1.646 -9.274 1.00 0.00 H new ATOM 0 HA ILE A 20 5.798 -1.104 -8.158 1.00 0.00 H new ATOM 0 HB ILE A 20 6.971 0.158 -10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.955 -2.578 -10.705 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.768 -1.464 -10.056 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.385 -1.822 -10.934 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.892 -0.880 -9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.981 -2.393 -9.297 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.606 -1.578 -12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.103 0.051 -12.006 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.309 -1.080 -12.665 1.00 0.00 H new ATOM 277 N LEU A 21 7.482 -0.665 -6.472 1.00 0.00 N ATOM 278 CA LEU A 21 8.531 -0.520 -5.477 1.00 0.00 C ATOM 279 C LEU A 21 9.362 -1.803 -5.427 1.00 0.00 C ATOM 280 O LEU A 21 8.814 -2.898 -5.304 1.00 0.00 O ATOM 281 CB LEU A 21 7.935 -0.120 -4.125 1.00 0.00 C ATOM 282 CG LEU A 21 6.970 1.068 -4.143 1.00 0.00 C ATOM 283 CD1 LEU A 21 6.310 1.258 -2.776 1.00 0.00 C ATOM 284 CD2 LEU A 21 7.674 2.339 -4.621 1.00 0.00 C ATOM 0 H LEU A 21 6.719 -1.285 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 21 9.209 0.288 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.411 -0.982 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.754 0.112 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 21 6.176 0.852 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.629 2.108 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.753 0.359 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.077 1.442 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.966 3.168 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.501 2.571 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.057 2.185 -5.630 1.00 0.00 H new ATOM 296 N HIS A 22 10.671 -1.626 -5.524 1.00 0.00 N ATOM 297 CA HIS A 22 11.583 -2.757 -5.491 1.00 0.00 C ATOM 298 C HIS A 22 11.988 -3.048 -4.045 1.00 0.00 C ATOM 299 O HIS A 22 12.761 -2.299 -3.450 1.00 0.00 O ATOM 300 CB HIS A 22 12.786 -2.512 -6.405 1.00 0.00 C ATOM 301 CG HIS A 22 12.431 -2.399 -7.869 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.840 -3.326 -8.813 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.703 -1.461 -8.540 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.373 -2.952 -9.995 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.670 -1.796 -9.824 1.00 0.00 N ATOM 0 H HIS A 22 11.122 -0.717 -5.625 1.00 0.00 H new ATOM 0 HA HIS A 22 11.081 -3.644 -5.877 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.287 -1.596 -6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.499 -3.326 -6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.233 -0.593 -8.101 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.523 -3.471 -10.930 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.197 -1.274 -10.562 1.00 0.00 H new ATOM 313 N LYS A 23 11.448 -4.139 -3.521 1.00 0.00 N ATOM 314 CA LYS A 23 11.743 -4.538 -2.156 1.00 0.00 C ATOM 315 C LYS A 23 13.216 -4.259 -1.854 1.00 0.00 C ATOM 316 O LYS A 23 14.092 -5.022 -2.260 1.00 0.00 O ATOM 317 CB LYS A 23 11.332 -5.994 -1.923 1.00 0.00 C ATOM 318 CG LYS A 23 10.007 -6.075 -1.161 1.00 0.00 C ATOM 319 CD LYS A 23 9.883 -7.406 -0.418 1.00 0.00 C ATOM 320 CE LYS A 23 9.147 -8.443 -1.270 1.00 0.00 C ATOM 321 NZ LYS A 23 9.403 -9.808 -0.759 1.00 0.00 N ATOM 0 H LYS A 23 10.808 -4.759 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 23 11.156 -3.948 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.237 -6.506 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.111 -6.510 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.941 -5.251 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.176 -5.964 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.875 -7.778 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.348 -7.255 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.076 -8.239 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.474 -8.369 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.897 -10.500 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.423 -10.006 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.069 -9.879 0.223 1.00 0.00 H new ATOM 335 N GLY A 24 13.445 -3.164 -1.145 1.00 0.00 N ATOM 336 CA GLY A 24 14.798 -2.775 -0.785 1.00 0.00 C ATOM 337 C GLY A 24 15.163 -3.287 0.610 1.00 0.00 C ATOM 338 O GLY A 24 16.170 -3.973 0.780 1.00 0.00 O ATOM 0 H GLY A 24 12.716 -2.534 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.501 -3.172 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.888 -1.689 -0.813 1.00 0.00 H new ATOM 342 N SER A 25 14.324 -2.935 1.573 1.00 0.00 N ATOM 343 CA SER A 25 14.545 -3.351 2.948 1.00 0.00 C ATOM 344 C SER A 25 13.274 -3.136 3.771 1.00 0.00 C ATOM 345 O SER A 25 12.426 -2.321 3.409 1.00 0.00 O ATOM 346 CB SER A 25 15.716 -2.588 3.572 1.00 0.00 C ATOM 347 OG SER A 25 16.831 -3.438 3.827 1.00 0.00 O ATOM 0 H SER A 25 13.490 -2.366 1.428 1.00 0.00 H new ATOM 0 HA SER A 25 14.795 -4.412 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.020 -1.781 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.392 -2.125 4.504 1.00 0.00 H new ATOM 0 HG SER A 25 17.558 -2.914 4.223 1.00 0.00 H new ATOM 353 N THR A 26 13.180 -3.883 4.861 1.00 0.00 N ATOM 354 CA THR A 26 12.026 -3.785 5.738 1.00 0.00 C ATOM 355 C THR A 26 10.732 -3.826 4.923 1.00 0.00 C ATOM 356 O THR A 26 9.693 -3.348 5.376 1.00 0.00 O ATOM 357 CB THR A 26 12.175 -2.513 6.576 1.00 0.00 C ATOM 358 OG1 THR A 26 12.231 -1.466 5.612 1.00 0.00 O ATOM 359 CG2 THR A 26 13.528 -2.436 7.288 1.00 0.00 C ATOM 0 H THR A 26 13.884 -4.559 5.157 1.00 0.00 H new ATOM 0 HA THR A 26 11.973 -4.635 6.418 1.00 0.00 H new ATOM 0 HB THR A 26 11.373 -2.469 7.313 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.786 -1.756 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.582 -1.515 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.638 -3.292 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.329 -2.447 6.549 1.00 0.00 H new ATOM 367 N GLY A 27 10.837 -4.403 3.735 1.00 0.00 N ATOM 368 CA GLY A 27 9.687 -4.514 2.853 1.00 0.00 C ATOM 369 C GLY A 27 9.782 -3.511 1.701 1.00 0.00 C ATOM 370 O GLY A 27 10.872 -3.233 1.204 1.00 0.00 O ATOM 0 H GLY A 27 11.700 -4.799 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.626 -5.527 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.772 -4.338 3.419 1.00 0.00 H new ATOM 374 N LEU A 28 8.625 -2.996 1.311 1.00 0.00 N ATOM 375 CA LEU A 28 8.564 -2.031 0.227 1.00 0.00 C ATOM 376 C LEU A 28 9.006 -0.660 0.745 1.00 0.00 C ATOM 377 O LEU A 28 9.165 0.279 -0.033 1.00 0.00 O ATOM 378 CB LEU A 28 7.173 -2.028 -0.410 1.00 0.00 C ATOM 379 CG LEU A 28 6.918 -3.103 -1.468 1.00 0.00 C ATOM 380 CD1 LEU A 28 8.106 -3.225 -2.424 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.567 -4.442 -0.816 1.00 0.00 C ATOM 0 H LEU A 28 7.723 -3.229 1.726 1.00 0.00 H new ATOM 0 HA LEU A 28 9.254 -2.309 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.432 -2.142 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.005 -1.052 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 28 6.057 -2.799 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.898 -3.996 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.268 -2.272 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.000 -3.494 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.391 -5.189 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.392 -4.765 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.668 -4.327 -0.211 1.00 0.00 H new ATOM 393 N GLY A 29 9.192 -0.590 2.055 1.00 0.00 N ATOM 394 CA GLY A 29 9.612 0.649 2.685 1.00 0.00 C ATOM 395 C GLY A 29 8.412 1.555 2.969 1.00 0.00 C ATOM 396 O GLY A 29 8.471 2.761 2.737 1.00 0.00 O ATOM 0 H GLY A 29 9.059 -1.372 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.134 0.429 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.319 1.168 2.038 1.00 0.00 H new ATOM 400 N PHE A 30 7.350 0.937 3.468 1.00 0.00 N ATOM 401 CA PHE A 30 6.138 1.672 3.786 1.00 0.00 C ATOM 402 C PHE A 30 5.154 0.796 4.563 1.00 0.00 C ATOM 403 O PHE A 30 5.107 -0.417 4.366 1.00 0.00 O ATOM 404 CB PHE A 30 5.500 2.079 2.456 1.00 0.00 C ATOM 405 CG PHE A 30 4.779 0.938 1.737 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.633 0.423 2.255 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.286 0.438 0.578 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.964 -0.637 1.587 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.617 -0.622 -0.091 1.00 0.00 C ATOM 410 CZ PHE A 30 3.470 -1.137 0.428 1.00 0.00 C ATOM 0 H PHE A 30 7.305 -0.064 3.659 1.00 0.00 H new ATOM 0 HA PHE A 30 6.379 2.537 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.791 2.886 2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.274 2.476 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.231 0.820 3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.197 0.847 0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.053 -1.046 2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.019 -1.019 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.961 -1.943 -0.080 1.00 0.00 H new ATOM 420 N ASN A 31 4.392 1.445 5.432 1.00 0.00 N ATOM 421 CA ASN A 31 3.411 0.740 6.240 1.00 0.00 C ATOM 422 C ASN A 31 2.032 0.873 5.591 1.00 0.00 C ATOM 423 O ASN A 31 1.851 1.660 4.663 1.00 0.00 O ATOM 424 CB ASN A 31 3.330 1.332 7.648 1.00 0.00 C ATOM 425 CG ASN A 31 3.546 0.251 8.710 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.102 -0.878 8.582 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.249 0.659 9.762 1.00 0.00 N ATOM 0 H ASN A 31 4.434 2.451 5.594 1.00 0.00 H new ATOM 0 HA ASN A 31 3.715 -0.305 6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.081 2.114 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.357 1.801 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.446 0.012 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.591 1.619 9.805 1.00 0.00 H new ATOM 434 N ILE A 32 1.094 0.091 6.105 1.00 0.00 N ATOM 435 CA ILE A 32 -0.264 0.112 5.588 1.00 0.00 C ATOM 436 C ILE A 32 -1.251 0.006 6.753 1.00 0.00 C ATOM 437 O ILE A 32 -0.883 -0.425 7.845 1.00 0.00 O ATOM 438 CB ILE A 32 -0.449 -0.973 4.525 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.289 -2.255 4.916 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.025 -0.466 3.145 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.511 -3.494 4.509 1.00 0.00 C ATOM 0 H ILE A 32 1.248 -0.561 6.874 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.465 1.058 5.084 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.510 -1.217 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.268 -2.276 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.461 -2.266 5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.166 -1.256 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.632 0.397 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.026 -0.177 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.036 -4.391 4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.479 -3.482 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.660 -3.492 3.429 1.00 0.00 H new ATOM 453 N VAL A 33 -2.484 0.406 6.480 1.00 0.00 N ATOM 454 CA VAL A 33 -3.526 0.361 7.492 1.00 0.00 C ATOM 455 C VAL A 33 -4.864 0.036 6.825 1.00 0.00 C ATOM 456 O VAL A 33 -4.939 -0.088 5.604 1.00 0.00 O ATOM 457 CB VAL A 33 -3.552 1.676 8.274 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.140 2.238 8.449 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.469 2.698 7.600 1.00 0.00 C ATOM 0 H VAL A 33 -2.785 0.763 5.573 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.323 -0.428 8.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.955 1.468 9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.187 3.173 9.008 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.527 1.520 8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.698 2.423 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.469 3.623 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.110 2.899 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.483 2.301 7.552 1.00 0.00 H new ATOM 469 N GLY A 34 -5.887 -0.094 7.657 1.00 0.00 N ATOM 470 CA GLY A 34 -7.218 -0.402 7.163 1.00 0.00 C ATOM 471 C GLY A 34 -7.552 -1.881 7.373 1.00 0.00 C ATOM 472 O GLY A 34 -6.752 -2.628 7.934 1.00 0.00 O ATOM 0 H GLY A 34 -5.821 0.008 8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.953 0.217 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.282 -0.158 6.103 1.00 0.00 H new ATOM 476 N GLY A 35 -8.734 -2.260 6.909 1.00 0.00 N ATOM 477 CA GLY A 35 -9.182 -3.636 7.039 1.00 0.00 C ATOM 478 C GLY A 35 -10.365 -3.738 8.004 1.00 0.00 C ATOM 479 O GLY A 35 -10.431 -4.662 8.814 1.00 0.00 O ATOM 0 H GLY A 35 -9.395 -1.638 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.471 -4.022 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.361 -4.257 7.397 1.00 0.00 H new ATOM 483 N GLU A 36 -11.269 -2.777 7.886 1.00 0.00 N ATOM 484 CA GLU A 36 -12.445 -2.748 8.739 1.00 0.00 C ATOM 485 C GLU A 36 -13.698 -2.468 7.906 1.00 0.00 C ATOM 486 O GLU A 36 -13.770 -1.458 7.207 1.00 0.00 O ATOM 487 CB GLU A 36 -12.288 -1.714 9.856 1.00 0.00 C ATOM 488 CG GLU A 36 -11.188 -2.129 10.836 1.00 0.00 C ATOM 489 CD GLU A 36 -11.783 -2.798 12.076 1.00 0.00 C ATOM 490 OE1 GLU A 36 -12.590 -2.124 12.753 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.419 -3.969 12.319 1.00 0.00 O ATOM 0 H GLU A 36 -11.211 -2.013 7.213 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.554 -3.726 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.049 -0.742 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.232 -1.603 10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.498 -2.814 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.611 -1.253 11.132 1.00 0.00 H new ATOM 498 N ASP A 37 -14.653 -3.380 8.007 1.00 0.00 N ATOM 499 CA ASP A 37 -15.899 -3.244 7.271 1.00 0.00 C ATOM 500 C ASP A 37 -15.593 -2.820 5.834 1.00 0.00 C ATOM 501 O ASP A 37 -16.390 -2.125 5.205 1.00 0.00 O ATOM 502 CB ASP A 37 -16.795 -2.176 7.900 1.00 0.00 C ATOM 503 CG ASP A 37 -17.561 -2.625 9.146 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.377 -3.561 9.005 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.312 -2.022 10.212 1.00 0.00 O ATOM 0 H ASP A 37 -14.590 -4.216 8.587 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.413 -4.205 7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.180 -1.315 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.513 -1.840 7.152 1.00 0.00 H new ATOM 510 N GLY A 38 -14.437 -3.255 5.355 1.00 0.00 N ATOM 511 CA GLY A 38 -14.017 -2.929 4.003 1.00 0.00 C ATOM 512 C GLY A 38 -14.062 -1.419 3.764 1.00 0.00 C ATOM 513 O GLY A 38 -14.756 -0.949 2.863 1.00 0.00 O ATOM 0 H GLY A 38 -13.778 -3.831 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.005 -3.298 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.664 -3.434 3.286 1.00 0.00 H new ATOM 517 N GLU A 39 -13.313 -0.699 4.587 1.00 0.00 N ATOM 518 CA GLU A 39 -13.259 0.749 4.477 1.00 0.00 C ATOM 519 C GLU A 39 -12.211 1.164 3.442 1.00 0.00 C ATOM 520 O GLU A 39 -12.366 2.182 2.770 1.00 0.00 O ATOM 521 CB GLU A 39 -12.973 1.392 5.835 1.00 0.00 C ATOM 522 CG GLU A 39 -11.515 1.180 6.246 1.00 0.00 C ATOM 523 CD GLU A 39 -11.408 0.838 7.733 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.334 1.234 8.474 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.404 0.188 8.096 1.00 0.00 O ATOM 0 H GLU A 39 -12.739 -1.092 5.333 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.233 1.105 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.190 2.459 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.633 0.965 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.079 0.376 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.939 2.081 6.034 1.00 0.00 H new ATOM 532 N GLY A 40 -11.167 0.353 3.347 1.00 0.00 N ATOM 533 CA GLY A 40 -10.094 0.623 2.405 1.00 0.00 C ATOM 534 C GLY A 40 -8.728 0.528 3.089 1.00 0.00 C ATOM 535 O GLY A 40 -8.642 0.538 4.316 1.00 0.00 O ATOM 0 H GLY A 40 -11.042 -0.491 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.142 -0.088 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.222 1.617 1.977 1.00 0.00 H new ATOM 539 N ILE A 41 -7.695 0.437 2.265 1.00 0.00 N ATOM 540 CA ILE A 41 -6.337 0.339 2.774 1.00 0.00 C ATOM 541 C ILE A 41 -5.599 1.651 2.500 1.00 0.00 C ATOM 542 O ILE A 41 -5.861 2.318 1.501 1.00 0.00 O ATOM 543 CB ILE A 41 -5.636 -0.893 2.199 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.436 -2.164 2.490 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.197 -0.992 2.708 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.110 -2.712 3.881 1.00 0.00 C ATOM 0 H ILE A 41 -7.771 0.429 1.248 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.345 0.196 3.855 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.587 -0.784 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.503 -1.950 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.212 -2.919 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.721 -1.876 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.643 -0.103 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.200 -1.068 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.692 -3.615 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.047 -2.948 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.358 -1.964 4.634 1.00 0.00 H new ATOM 558 N PHE A 42 -4.690 1.982 3.406 1.00 0.00 N ATOM 559 CA PHE A 42 -3.912 3.202 3.274 1.00 0.00 C ATOM 560 C PHE A 42 -2.529 3.041 3.908 1.00 0.00 C ATOM 561 O PHE A 42 -2.304 2.119 4.691 1.00 0.00 O ATOM 562 CB PHE A 42 -4.675 4.301 4.015 1.00 0.00 C ATOM 563 CG PHE A 42 -6.073 4.574 3.457 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.073 3.675 3.659 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.316 5.715 2.758 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.371 3.927 3.140 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.613 5.968 2.239 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.613 5.069 2.441 1.00 0.00 C ATOM 0 H PHE A 42 -4.475 1.426 4.234 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.773 3.443 2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.762 4.023 5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.093 5.222 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.880 2.769 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.522 6.429 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.165 3.213 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.805 6.874 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.600 5.262 2.046 1.00 0.00 H new ATOM 578 N VAL A 43 -1.638 3.953 3.547 1.00 0.00 N ATOM 579 CA VAL A 43 -0.283 3.924 4.071 1.00 0.00 C ATOM 580 C VAL A 43 -0.237 4.686 5.396 1.00 0.00 C ATOM 581 O VAL A 43 -0.815 5.765 5.516 1.00 0.00 O ATOM 582 CB VAL A 43 0.693 4.475 3.029 1.00 0.00 C ATOM 583 CG1 VAL A 43 2.043 4.809 3.666 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.862 3.498 1.864 1.00 0.00 C ATOM 0 H VAL A 43 -1.828 4.717 2.898 1.00 0.00 H new ATOM 0 HA VAL A 43 0.026 2.899 4.275 1.00 0.00 H new ATOM 0 HB VAL A 43 0.272 5.399 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.718 5.199 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.902 5.559 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.472 3.908 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.561 3.914 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.249 2.550 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.103 3.333 1.385 1.00 0.00 H new ATOM 594 N SER A 44 0.457 4.095 6.358 1.00 0.00 N ATOM 595 CA SER A 44 0.586 4.706 7.671 1.00 0.00 C ATOM 596 C SER A 44 1.938 5.412 7.788 1.00 0.00 C ATOM 597 O SER A 44 2.157 6.190 8.715 1.00 0.00 O ATOM 598 CB SER A 44 0.433 3.663 8.780 1.00 0.00 C ATOM 599 OG SER A 44 1.617 3.542 9.564 1.00 0.00 O ATOM 0 H SER A 44 0.936 3.200 6.255 1.00 0.00 H new ATOM 0 HA SER A 44 -0.211 5.440 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.402 3.938 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.190 2.697 8.338 1.00 0.00 H new ATOM 0 HG SER A 44 1.480 2.868 10.262 1.00 0.00 H new ATOM 605 N PHE A 45 2.809 5.116 6.835 1.00 0.00 N ATOM 606 CA PHE A 45 4.134 5.713 6.820 1.00 0.00 C ATOM 607 C PHE A 45 4.965 5.175 5.654 1.00 0.00 C ATOM 608 O PHE A 45 4.596 4.181 5.031 1.00 0.00 O ATOM 609 CB PHE A 45 4.813 5.327 8.136 1.00 0.00 C ATOM 610 CG PHE A 45 6.311 5.636 8.176 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.738 6.922 8.293 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.216 4.624 8.095 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.128 7.208 8.330 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.607 4.910 8.133 1.00 0.00 C ATOM 615 CZ PHE A 45 9.033 6.196 8.250 1.00 0.00 C ATOM 0 H PHE A 45 2.623 4.470 6.067 1.00 0.00 H new ATOM 0 HA PHE A 45 4.054 6.794 6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.322 5.853 8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.667 4.261 8.309 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.019 7.726 8.358 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.877 3.603 8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.467 8.229 8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.326 4.106 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.090 6.414 8.279 1.00 0.00 H new ATOM 625 N ILE A 46 6.071 5.856 5.394 1.00 0.00 N ATOM 626 CA ILE A 46 6.958 5.459 4.313 1.00 0.00 C ATOM 627 C ILE A 46 8.400 5.441 4.823 1.00 0.00 C ATOM 628 O ILE A 46 8.911 6.459 5.286 1.00 0.00 O ATOM 629 CB ILE A 46 6.748 6.356 3.091 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.343 6.176 2.513 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.836 6.115 2.042 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.338 5.125 1.402 1.00 0.00 C ATOM 0 H ILE A 46 6.374 6.680 5.913 1.00 0.00 H new ATOM 0 HA ILE A 46 6.725 4.447 3.980 1.00 0.00 H new ATOM 0 HB ILE A 46 6.833 7.395 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.656 5.877 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.983 7.127 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.664 6.764 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.813 6.335 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.807 5.074 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.327 5.016 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.008 5.439 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.676 4.170 1.804 1.00 0.00 H new ATOM 644 N LEU A 47 9.015 4.272 4.721 1.00 0.00 N ATOM 645 CA LEU A 47 10.388 4.107 5.166 1.00 0.00 C ATOM 646 C LEU A 47 11.269 5.159 4.488 1.00 0.00 C ATOM 647 O LEU A 47 11.100 5.446 3.304 1.00 0.00 O ATOM 648 CB LEU A 47 10.859 2.670 4.933 1.00 0.00 C ATOM 649 CG LEU A 47 12.283 2.348 5.390 1.00 0.00 C ATOM 650 CD1 LEU A 47 13.310 2.824 4.361 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.556 2.924 6.781 1.00 0.00 C ATOM 0 H LEU A 47 8.587 3.430 4.336 1.00 0.00 H new ATOM 0 HA LEU A 47 10.462 4.272 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.173 1.996 5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.783 2.452 3.868 1.00 0.00 H new ATOM 0 HG LEU A 47 12.381 1.265 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.314 2.583 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.128 2.326 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.221 3.902 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.575 2.681 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.433 4.007 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.854 2.495 7.496 1.00 0.00 H new ATOM 663 N ALA A 48 12.189 5.706 5.269 1.00 0.00 N ATOM 664 CA ALA A 48 13.097 6.720 4.760 1.00 0.00 C ATOM 665 C ALA A 48 14.267 6.040 4.047 1.00 0.00 C ATOM 666 O ALA A 48 15.016 5.281 4.661 1.00 0.00 O ATOM 667 CB ALA A 48 13.557 7.618 5.910 1.00 0.00 C ATOM 0 H ALA A 48 12.325 5.466 6.251 1.00 0.00 H new ATOM 0 HA ALA A 48 12.593 7.356 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.238 8.378 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.691 8.101 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.070 7.015 6.660 1.00 0.00 H new ATOM 673 N GLY A 49 14.388 6.336 2.761 1.00 0.00 N ATOM 674 CA GLY A 49 15.455 5.762 1.959 1.00 0.00 C ATOM 675 C GLY A 49 14.973 4.512 1.219 1.00 0.00 C ATOM 676 O GLY A 49 15.648 4.023 0.314 1.00 0.00 O ATOM 0 H GLY A 49 13.765 6.965 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.812 6.500 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.299 5.507 2.599 1.00 0.00 H new ATOM 680 N GLY A 50 13.808 4.032 1.630 1.00 0.00 N ATOM 681 CA GLY A 50 13.228 2.849 1.017 1.00 0.00 C ATOM 682 C GLY A 50 12.813 3.128 -0.429 1.00 0.00 C ATOM 683 O GLY A 50 13.002 4.236 -0.930 1.00 0.00 O ATOM 0 H GLY A 50 13.250 4.441 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.949 2.032 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.360 2.525 1.592 1.00 0.00 H new ATOM 687 N PRO A 51 12.241 2.078 -1.075 1.00 0.00 N ATOM 688 CA PRO A 51 11.797 2.199 -2.454 1.00 0.00 C ATOM 689 C PRO A 51 10.500 3.005 -2.544 1.00 0.00 C ATOM 690 O PRO A 51 10.259 3.692 -3.536 1.00 0.00 O ATOM 691 CB PRO A 51 11.642 0.769 -2.944 1.00 0.00 C ATOM 692 CG PRO A 51 11.554 -0.093 -1.695 1.00 0.00 C ATOM 693 CD PRO A 51 12.001 0.752 -0.513 1.00 0.00 C ATOM 0 HA PRO A 51 12.505 2.745 -3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.747 0.661 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.489 0.474 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.534 -0.447 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.187 -0.975 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.236 0.783 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.903 0.347 -0.055 1.00 0.00 H new ATOM 701 N ALA A 52 9.699 2.896 -1.494 1.00 0.00 N ATOM 702 CA ALA A 52 8.433 3.607 -1.442 1.00 0.00 C ATOM 703 C ALA A 52 8.700 5.106 -1.292 1.00 0.00 C ATOM 704 O ALA A 52 7.845 5.928 -1.617 1.00 0.00 O ATOM 705 CB ALA A 52 7.581 3.050 -0.300 1.00 0.00 C ATOM 0 H ALA A 52 9.902 2.326 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 52 7.874 3.463 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.631 3.583 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.395 1.989 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.109 3.180 0.645 1.00 0.00 H new ATOM 711 N ASP A 53 9.890 5.416 -0.800 1.00 0.00 N ATOM 712 CA ASP A 53 10.281 6.802 -0.603 1.00 0.00 C ATOM 713 C ASP A 53 11.140 7.258 -1.784 1.00 0.00 C ATOM 714 O ASP A 53 10.818 8.242 -2.447 1.00 0.00 O ATOM 715 CB ASP A 53 11.107 6.965 0.674 1.00 0.00 C ATOM 716 CG ASP A 53 11.511 8.403 1.003 1.00 0.00 C ATOM 717 OD1 ASP A 53 12.262 8.983 0.189 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.060 8.891 2.062 1.00 0.00 O ATOM 0 H ASP A 53 10.597 4.731 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 53 9.373 7.400 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.537 6.563 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.010 6.361 0.584 1.00 0.00 H new ATOM 723 N LEU A 54 12.217 6.520 -2.011 1.00 0.00 N ATOM 724 CA LEU A 54 13.125 6.836 -3.100 1.00 0.00 C ATOM 725 C LEU A 54 12.320 7.059 -4.382 1.00 0.00 C ATOM 726 O LEU A 54 12.427 8.110 -5.011 1.00 0.00 O ATOM 727 CB LEU A 54 14.202 5.756 -3.231 1.00 0.00 C ATOM 728 CG LEU A 54 15.255 5.722 -2.122 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.398 4.770 -2.480 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.761 7.130 -1.802 1.00 0.00 C ATOM 0 H LEU A 54 12.481 5.704 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 54 13.659 7.763 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.711 4.784 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.712 5.893 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 54 14.785 5.336 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.133 4.765 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.003 3.763 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.873 5.103 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.508 7.077 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.208 7.568 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.927 7.750 -1.473 1.00 0.00 H new ATOM 742 N SER A 55 11.531 6.053 -4.730 1.00 0.00 N ATOM 743 CA SER A 55 10.708 6.126 -5.925 1.00 0.00 C ATOM 744 C SER A 55 10.114 7.529 -6.066 1.00 0.00 C ATOM 745 O SER A 55 10.065 8.079 -7.165 1.00 0.00 O ATOM 746 CB SER A 55 9.593 5.079 -5.891 1.00 0.00 C ATOM 747 OG SER A 55 10.107 3.750 -5.926 1.00 0.00 O ATOM 0 H SER A 55 11.444 5.183 -4.205 1.00 0.00 H new ATOM 0 HA SER A 55 11.340 5.917 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.997 5.213 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.926 5.232 -6.739 1.00 0.00 H new ATOM 0 HG SER A 55 10.541 3.545 -5.072 1.00 0.00 H new ATOM 753 N GLY A 56 9.677 8.068 -4.937 1.00 0.00 N ATOM 754 CA GLY A 56 9.088 9.396 -4.921 1.00 0.00 C ATOM 755 C GLY A 56 7.622 9.351 -5.355 1.00 0.00 C ATOM 756 O GLY A 56 7.000 10.392 -5.565 1.00 0.00 O ATOM 0 H GLY A 56 9.719 7.609 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.161 9.818 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.648 10.054 -5.586 1.00 0.00 H new ATOM 760 N GLU A 57 7.111 8.135 -5.476 1.00 0.00 N ATOM 761 CA GLU A 57 5.729 7.940 -5.881 1.00 0.00 C ATOM 762 C GLU A 57 4.862 7.602 -4.667 1.00 0.00 C ATOM 763 O GLU A 57 3.869 8.277 -4.401 1.00 0.00 O ATOM 764 CB GLU A 57 5.619 6.854 -6.953 1.00 0.00 C ATOM 765 CG GLU A 57 6.564 7.139 -8.122 1.00 0.00 C ATOM 766 CD GLU A 57 5.932 6.724 -9.452 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.248 7.583 -10.049 1.00 0.00 O ATOM 768 OE2 GLU A 57 6.147 5.555 -9.842 1.00 0.00 O ATOM 0 H GLU A 57 7.629 7.274 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 57 5.364 8.871 -6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.856 5.883 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.593 6.799 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.807 8.201 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.501 6.601 -7.977 1.00 0.00 H new ATOM 775 N LEU A 58 5.270 6.557 -3.962 1.00 0.00 N ATOM 776 CA LEU A 58 4.543 6.121 -2.782 1.00 0.00 C ATOM 777 C LEU A 58 4.809 7.097 -1.634 1.00 0.00 C ATOM 778 O LEU A 58 5.960 7.332 -1.269 1.00 0.00 O ATOM 779 CB LEU A 58 4.888 4.668 -2.446 1.00 0.00 C ATOM 780 CG LEU A 58 3.942 3.962 -1.474 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.562 4.622 -1.474 1.00 0.00 C ATOM 782 CD2 LEU A 58 3.860 2.465 -1.778 1.00 0.00 C ATOM 0 H LEU A 58 6.095 6.000 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 58 3.469 6.134 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.915 4.098 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.894 4.642 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 58 4.348 4.065 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.909 4.100 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.658 5.665 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.135 4.572 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.181 1.987 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.490 2.320 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.851 2.020 -1.686 1.00 0.00 H new ATOM 794 N ARG A 59 3.726 7.640 -1.098 1.00 0.00 N ATOM 795 CA ARG A 59 3.829 8.585 0.001 1.00 0.00 C ATOM 796 C ARG A 59 2.794 8.259 1.080 1.00 0.00 C ATOM 797 O ARG A 59 1.705 7.775 0.775 1.00 0.00 O ATOM 798 CB ARG A 59 3.614 10.020 -0.485 1.00 0.00 C ATOM 799 CG ARG A 59 4.498 10.327 -1.696 1.00 0.00 C ATOM 800 CD ARG A 59 4.992 11.774 -1.661 1.00 0.00 C ATOM 801 NE ARG A 59 6.458 11.813 -1.857 1.00 0.00 N ATOM 802 CZ ARG A 59 7.350 11.407 -0.943 1.00 0.00 C ATOM 803 NH1 ARG A 59 6.930 10.929 0.236 1.00 0.00 N ATOM 804 NH2 ARG A 59 8.661 11.479 -1.209 1.00 0.00 N ATOM 0 H ARG A 59 2.773 7.444 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 59 4.833 8.501 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.566 10.165 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.840 10.718 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.351 9.648 -1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.937 10.153 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.497 12.355 -2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.732 12.233 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 59 6.812 12.172 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.932 10.874 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.609 10.620 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.980 11.843 -2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.340 11.170 -0.514 1.00 0.00 H new ATOM 818 N ARG A 60 3.171 8.538 2.319 1.00 0.00 N ATOM 819 CA ARG A 60 2.289 8.280 3.445 1.00 0.00 C ATOM 820 C ARG A 60 0.934 8.956 3.224 1.00 0.00 C ATOM 821 O ARG A 60 0.865 10.170 3.038 1.00 0.00 O ATOM 822 CB ARG A 60 2.900 8.793 4.751 1.00 0.00 C ATOM 823 CG ARG A 60 1.959 8.543 5.931 1.00 0.00 C ATOM 824 CD ARG A 60 2.093 9.646 6.983 1.00 0.00 C ATOM 825 NE ARG A 60 3.180 9.312 7.931 1.00 0.00 N ATOM 826 CZ ARG A 60 3.466 10.026 9.028 1.00 0.00 C ATOM 827 NH1 ARG A 60 2.748 11.118 9.322 1.00 0.00 N ATOM 828 NH2 ARG A 60 4.470 9.648 9.831 1.00 0.00 N ATOM 0 H ARG A 60 4.075 8.940 2.568 1.00 0.00 H new ATOM 0 HA ARG A 60 2.153 7.201 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.854 8.297 4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.107 9.860 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.929 8.497 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.184 7.576 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.303 10.599 6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.153 9.762 7.522 1.00 0.00 H new ATOM 0 HE ARG A 60 3.747 8.486 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.984 11.406 8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.965 11.662 10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.017 8.817 9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.688 10.192 10.666 1.00 0.00 H new ATOM 842 N GLY A 61 -0.109 8.140 3.251 1.00 0.00 N ATOM 843 CA GLY A 61 -1.458 8.643 3.055 1.00 0.00 C ATOM 844 C GLY A 61 -2.050 8.129 1.742 1.00 0.00 C ATOM 845 O GLY A 61 -3.187 8.452 1.401 1.00 0.00 O ATOM 0 H GLY A 61 -0.047 7.134 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.089 8.334 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.446 9.733 3.051 1.00 0.00 H new ATOM 849 N ASP A 62 -1.253 7.337 1.040 1.00 0.00 N ATOM 850 CA ASP A 62 -1.684 6.775 -0.229 1.00 0.00 C ATOM 851 C ASP A 62 -2.632 5.603 0.034 1.00 0.00 C ATOM 852 O ASP A 62 -2.235 4.599 0.622 1.00 0.00 O ATOM 853 CB ASP A 62 -0.493 6.249 -1.031 1.00 0.00 C ATOM 854 CG ASP A 62 -0.055 7.137 -2.197 1.00 0.00 C ATOM 855 OD1 ASP A 62 0.714 8.086 -1.931 1.00 0.00 O ATOM 856 OD2 ASP A 62 -0.500 6.848 -3.329 1.00 0.00 O ATOM 0 H ASP A 62 -0.311 7.071 1.326 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.180 7.563 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.352 6.120 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.744 5.262 -1.420 1.00 0.00 H new ATOM 861 N ARG A 63 -3.867 5.771 -0.416 1.00 0.00 N ATOM 862 CA ARG A 63 -4.875 4.740 -0.237 1.00 0.00 C ATOM 863 C ARG A 63 -4.615 3.573 -1.192 1.00 0.00 C ATOM 864 O ARG A 63 -4.796 3.703 -2.402 1.00 0.00 O ATOM 865 CB ARG A 63 -6.279 5.292 -0.489 1.00 0.00 C ATOM 866 CG ARG A 63 -7.339 4.205 -0.298 1.00 0.00 C ATOM 867 CD ARG A 63 -8.709 4.683 -0.784 1.00 0.00 C ATOM 868 NE ARG A 63 -9.520 3.527 -1.227 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.779 3.621 -1.676 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.379 4.817 -1.744 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.438 2.518 -2.057 1.00 0.00 N ATOM 0 H ARG A 63 -4.192 6.606 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.814 4.392 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.476 6.120 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.340 5.691 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.048 3.308 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.398 3.931 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.224 5.213 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.587 5.388 -1.606 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.094 2.601 -1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.877 5.656 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.337 4.888 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.981 1.607 -2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.396 2.589 -2.399 1.00 0.00 H new ATOM 885 N ILE A 64 -4.195 2.458 -0.612 1.00 0.00 N ATOM 886 CA ILE A 64 -3.909 1.268 -1.396 1.00 0.00 C ATOM 887 C ILE A 64 -5.215 0.713 -1.967 1.00 0.00 C ATOM 888 O ILE A 64 -6.215 0.616 -1.258 1.00 0.00 O ATOM 889 CB ILE A 64 -3.121 0.255 -0.563 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.891 0.905 0.072 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.754 -0.973 -1.399 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.756 1.042 -0.945 1.00 0.00 C ATOM 0 H ILE A 64 -4.046 2.354 0.392 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.270 1.514 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.759 -0.088 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.155 1.888 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.555 0.306 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.194 -1.678 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.664 -1.451 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.142 -0.666 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.106 1.507 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.478 0.055 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.087 1.662 -1.778 1.00 0.00 H new ATOM 904 N LEU A 65 -5.163 0.362 -3.244 1.00 0.00 N ATOM 905 CA LEU A 65 -6.329 -0.182 -3.919 1.00 0.00 C ATOM 906 C LEU A 65 -6.073 -1.649 -4.267 1.00 0.00 C ATOM 907 O LEU A 65 -6.873 -2.520 -3.927 1.00 0.00 O ATOM 908 CB LEU A 65 -6.700 0.681 -5.126 1.00 0.00 C ATOM 909 CG LEU A 65 -7.448 1.980 -4.817 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.523 2.877 -6.055 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.832 1.691 -4.234 1.00 0.00 C ATOM 0 H LEU A 65 -4.331 0.444 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.197 -0.157 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.785 0.931 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.313 0.083 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.887 2.525 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.059 3.793 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.515 3.125 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.049 2.353 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.342 2.631 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.416 1.114 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.726 1.121 -3.311 1.00 0.00 H new ATOM 923 N SER A 66 -4.956 -1.878 -4.942 1.00 0.00 N ATOM 924 CA SER A 66 -4.585 -3.225 -5.340 1.00 0.00 C ATOM 925 C SER A 66 -3.064 -3.385 -5.294 1.00 0.00 C ATOM 926 O SER A 66 -2.329 -2.413 -5.466 1.00 0.00 O ATOM 927 CB SER A 66 -5.111 -3.550 -6.740 1.00 0.00 C ATOM 928 OG SER A 66 -4.764 -2.544 -7.687 1.00 0.00 O ATOM 0 H SER A 66 -4.296 -1.153 -5.223 1.00 0.00 H new ATOM 0 HA SER A 66 -5.038 -3.926 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.708 -4.509 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.195 -3.656 -6.704 1.00 0.00 H new ATOM 0 HG SER A 66 -5.116 -2.789 -8.568 1.00 0.00 H new ATOM 934 N VAL A 67 -2.637 -4.617 -5.062 1.00 0.00 N ATOM 935 CA VAL A 67 -1.217 -4.916 -4.991 1.00 0.00 C ATOM 936 C VAL A 67 -0.897 -6.078 -5.933 1.00 0.00 C ATOM 937 O VAL A 67 -1.667 -7.032 -6.032 1.00 0.00 O ATOM 938 CB VAL A 67 -0.812 -5.192 -3.542 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.396 -6.130 -3.479 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.532 -3.888 -2.792 1.00 0.00 C ATOM 0 H VAL A 67 -3.250 -5.420 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.630 -4.059 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.648 -5.688 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.663 -6.310 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.147 -7.077 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.239 -5.672 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.246 -4.113 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.279 -3.352 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.429 -3.269 -2.792 1.00 0.00 H new ATOM 950 N ASN A 68 0.241 -5.960 -6.602 1.00 0.00 N ATOM 951 CA ASN A 68 0.672 -6.989 -7.532 1.00 0.00 C ATOM 952 C ASN A 68 -0.538 -7.498 -8.319 1.00 0.00 C ATOM 953 O ASN A 68 -0.564 -8.652 -8.746 1.00 0.00 O ATOM 954 CB ASN A 68 1.289 -8.178 -6.792 1.00 0.00 C ATOM 955 CG ASN A 68 2.203 -8.985 -7.717 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.344 -9.367 -7.150 1.00 0.00 O flip ATOM 957 ND2 ASN A 68 1.892 -9.244 -8.868 1.00 0.00 N flip ATOM 0 H ASN A 68 0.877 -5.167 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 68 1.418 -6.552 -8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.858 -7.821 -5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.498 -8.821 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.000 -8.919 -9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.524 -9.785 -9.458 1.00 0.00 H new ATOM 964 N GLY A 69 -1.509 -6.614 -8.487 1.00 0.00 N ATOM 965 CA GLY A 69 -2.719 -6.959 -9.215 1.00 0.00 C ATOM 966 C GLY A 69 -3.652 -7.812 -8.353 1.00 0.00 C ATOM 967 O GLY A 69 -4.030 -8.914 -8.746 1.00 0.00 O ATOM 0 H GLY A 69 -1.483 -5.658 -8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.234 -6.049 -9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.459 -7.502 -10.123 1.00 0.00 H new ATOM 971 N VAL A 70 -3.997 -7.269 -7.195 1.00 0.00 N ATOM 972 CA VAL A 70 -4.880 -7.966 -6.275 1.00 0.00 C ATOM 973 C VAL A 70 -5.978 -7.010 -5.805 1.00 0.00 C ATOM 974 O VAL A 70 -5.746 -5.809 -5.675 1.00 0.00 O ATOM 975 CB VAL A 70 -4.069 -8.559 -5.121 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.777 -7.501 -4.055 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.784 -9.767 -4.512 1.00 0.00 C ATOM 0 H VAL A 70 -3.681 -6.354 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.370 -8.802 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.116 -8.901 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.200 -7.949 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.207 -6.685 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.716 -7.114 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.186 -10.169 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.758 -9.460 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.917 -10.534 -5.275 1.00 0.00 H new ATOM 987 N ASN A 71 -7.150 -7.579 -5.563 1.00 0.00 N ATOM 988 CA ASN A 71 -8.284 -6.792 -5.110 1.00 0.00 C ATOM 989 C ASN A 71 -8.289 -6.745 -3.581 1.00 0.00 C ATOM 990 O ASN A 71 -8.545 -7.755 -2.926 1.00 0.00 O ATOM 991 CB ASN A 71 -9.604 -7.415 -5.569 1.00 0.00 C ATOM 992 CG ASN A 71 -10.688 -6.347 -5.731 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.702 -5.333 -5.054 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.592 -6.631 -6.664 1.00 0.00 N ATOM 0 H ASN A 71 -7.339 -8.575 -5.672 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.191 -5.792 -5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.455 -7.934 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.929 -8.161 -4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.356 -5.981 -6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.521 -7.499 -7.195 1.00 0.00 H new ATOM 1001 N LEU A 72 -8.003 -5.563 -3.056 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.971 -5.371 -1.616 1.00 0.00 C ATOM 1003 C LEU A 72 -8.959 -4.268 -1.231 1.00 0.00 C ATOM 1004 O LEU A 72 -9.047 -3.888 -0.065 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.540 -5.109 -1.142 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.479 -6.094 -1.636 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.077 -5.489 -1.528 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.585 -7.430 -0.898 1.00 0.00 C ATOM 0 H LEU A 72 -7.791 -4.728 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.290 -6.278 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.252 -4.106 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.533 -5.114 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.663 -6.294 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.341 -6.209 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.023 -4.585 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.867 -5.242 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.820 -8.112 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.441 -7.268 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.570 -7.863 -1.069 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.677 -3.785 -2.234 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.655 -2.733 -2.015 1.00 0.00 C ATOM 1022 C ARG A 73 -11.378 -2.948 -0.683 1.00 0.00 C ATOM 1023 O ARG A 73 -11.632 -1.995 0.050 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.685 -2.694 -3.146 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.439 -1.500 -4.070 1.00 0.00 C ATOM 1026 CD ARG A 73 -12.205 -1.658 -5.386 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.511 -0.967 -5.298 1.00 0.00 N ATOM 1028 CZ ARG A 73 -14.625 -1.526 -4.806 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -14.599 -2.787 -4.355 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.765 -0.823 -4.765 1.00 0.00 N ATOM 0 H ARG A 73 -9.601 -4.103 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.120 -1.783 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.635 -3.619 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.689 -2.633 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.749 -0.581 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.372 -1.408 -4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.621 -1.245 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.358 -2.715 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.566 -0.005 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.731 -3.322 -4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.447 -3.212 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.785 0.137 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.613 -1.248 -4.391 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.687 -4.208 -0.412 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.375 -4.561 0.818 1.00 0.00 C ATOM 1046 C ASN A 74 -11.669 -5.751 1.469 1.00 0.00 C ATOM 1047 O ASN A 74 -12.303 -6.755 1.789 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.825 -4.965 0.542 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.693 -3.736 0.263 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -15.249 -3.121 1.157 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.778 -3.415 -1.025 1.00 0.00 N ATOM 0 H ASN A 74 -11.474 -4.996 -1.023 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.362 -3.690 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.862 -5.642 -0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.224 -5.510 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.335 -2.611 -1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.287 -3.973 -1.723 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.364 -5.600 1.645 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.564 -6.650 2.252 1.00 0.00 C ATOM 1060 C ALA A 75 -9.066 -6.180 3.620 1.00 0.00 C ATOM 1061 O ALA A 75 -8.911 -4.981 3.849 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.418 -7.027 1.312 1.00 0.00 C ATOM 0 H ALA A 75 -9.841 -4.766 1.378 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.164 -7.546 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.818 -7.815 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.826 -7.383 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.793 -6.153 1.132 1.00 0.00 H new ATOM 1068 N THR A 76 -8.828 -7.148 4.492 1.00 0.00 N ATOM 1069 CA THR A 76 -8.350 -6.848 5.831 1.00 0.00 C ATOM 1070 C THR A 76 -6.850 -6.546 5.807 1.00 0.00 C ATOM 1071 O THR A 76 -6.155 -6.909 4.859 1.00 0.00 O ATOM 1072 CB THR A 76 -8.719 -8.022 6.740 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.460 -9.173 5.941 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.221 -8.095 7.022 1.00 0.00 C ATOM 0 H THR A 76 -8.957 -8.141 4.298 1.00 0.00 H new ATOM 0 HA THR A 76 -8.824 -5.950 6.228 1.00 0.00 H new ATOM 0 HB THR A 76 -8.177 -7.936 7.682 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.671 -9.981 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.428 -8.946 7.671 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.544 -7.177 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.762 -8.215 6.083 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.395 -5.885 6.861 1.00 0.00 N ATOM 1083 CA HIS A 77 -4.990 -5.530 6.973 1.00 0.00 C ATOM 1084 C HIS A 77 -4.126 -6.709 6.521 1.00 0.00 C ATOM 1085 O HIS A 77 -3.315 -6.575 5.605 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.659 -5.062 8.391 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.354 -4.310 8.500 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -2.870 -3.819 9.700 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.438 -3.971 7.548 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -1.715 -3.213 9.469 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.449 -3.308 8.135 1.00 0.00 N ATOM 0 H HIS A 77 -6.974 -5.586 7.645 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.770 -4.689 6.315 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.466 -4.423 8.749 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.623 -5.930 9.050 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.325 -3.909 10.608 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.506 -4.203 6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.093 -2.729 10.207 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.328 -7.838 7.184 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.577 -9.040 6.862 1.00 0.00 C ATOM 1101 C GLU A 78 -3.644 -9.321 5.360 1.00 0.00 C ATOM 1102 O GLU A 78 -2.613 -9.385 4.690 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.087 -10.237 7.667 1.00 0.00 C ATOM 1104 CG GLU A 78 -2.983 -11.279 7.859 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.439 -12.393 8.804 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.569 -12.095 10.011 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.647 -13.517 8.298 1.00 0.00 O ATOM 0 H GLU A 78 -5.001 -7.946 7.943 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.534 -8.878 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.446 -9.899 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.935 -10.691 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.709 -11.705 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.091 -10.799 8.261 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.866 -9.480 4.873 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.080 -9.752 3.462 1.00 0.00 C ATOM 1116 C GLN A 79 -4.238 -8.805 2.605 1.00 0.00 C ATOM 1117 O GLN A 79 -3.593 -9.235 1.650 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.563 -9.646 3.102 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.319 -10.912 3.509 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.785 -10.839 3.077 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.141 -10.194 2.104 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.613 -11.533 3.853 1.00 0.00 N ATOM 0 H GLN A 79 -5.718 -9.426 5.431 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.763 -10.774 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.001 -8.781 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.670 -9.484 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.846 -11.783 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.261 -11.043 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.249 -12.051 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.612 -11.547 3.649 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.272 -7.534 2.977 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.520 -6.522 2.254 1.00 0.00 C ATOM 1133 C ALA A 80 -2.025 -6.831 2.361 1.00 0.00 C ATOM 1134 O ALA A 80 -1.285 -6.676 1.391 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.870 -5.137 2.802 1.00 0.00 C ATOM 0 H ALA A 80 -4.808 -7.182 3.770 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.784 -6.530 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.306 -4.378 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.937 -4.955 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.616 -5.090 3.861 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.626 -7.262 3.548 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.233 -7.594 3.794 1.00 0.00 C ATOM 1143 C ALA A 81 0.131 -8.859 3.015 1.00 0.00 C ATOM 1144 O ALA A 81 1.172 -8.912 2.361 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.003 -7.749 5.299 1.00 0.00 C ATOM 0 H ALA A 81 -2.243 -7.389 4.350 1.00 0.00 H new ATOM 0 HA ALA A 81 0.419 -6.794 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.042 -7.998 5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.248 -6.814 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.639 -8.546 5.684 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.747 -9.847 3.109 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.531 -11.108 2.421 1.00 0.00 C ATOM 1153 C ALA A 82 -0.308 -10.840 0.932 1.00 0.00 C ATOM 1154 O ALA A 82 0.312 -11.645 0.238 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.719 -12.038 2.675 1.00 0.00 C ATOM 0 H ALA A 82 -1.610 -9.799 3.651 1.00 0.00 H new ATOM 0 HA ALA A 82 0.360 -11.606 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.557 -12.984 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.816 -12.220 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.631 -11.573 2.302 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.826 -9.706 0.483 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.692 -9.322 -0.912 1.00 0.00 C ATOM 1163 C ALA A 83 0.745 -8.864 -1.174 1.00 0.00 C ATOM 1164 O ALA A 83 1.185 -8.817 -2.321 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.719 -8.238 -1.244 1.00 0.00 C ATOM 0 H ALA A 83 -1.339 -9.041 1.061 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.892 -10.171 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.619 -7.950 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.724 -8.623 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.548 -7.368 -0.610 1.00 0.00 H new ATOM 1171 N LEU A 84 1.435 -8.537 -0.091 1.00 0.00 N ATOM 1172 CA LEU A 84 2.812 -8.084 -0.189 1.00 0.00 C ATOM 1173 C LEU A 84 3.752 -9.265 0.063 1.00 0.00 C ATOM 1174 O LEU A 84 4.872 -9.290 -0.444 1.00 0.00 O ATOM 1175 CB LEU A 84 3.053 -6.896 0.744 1.00 0.00 C ATOM 1176 CG LEU A 84 2.697 -5.519 0.182 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.191 -5.369 -1.258 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.196 -5.248 0.304 1.00 0.00 C ATOM 0 H LEU A 84 1.066 -8.577 0.859 1.00 0.00 H new ATOM 0 HA LEU A 84 3.022 -7.718 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.478 -7.054 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.105 -6.890 1.027 1.00 0.00 H new ATOM 0 HG LEU A 84 3.210 -4.764 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.925 -4.381 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.274 -5.488 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.727 -6.132 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.970 -4.262 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.643 -6.005 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.904 -5.283 1.354 1.00 0.00 H new ATOM 1190 N LYS A 85 3.260 -10.215 0.845 1.00 0.00 N ATOM 1191 CA LYS A 85 4.042 -11.396 1.170 1.00 0.00 C ATOM 1192 C LYS A 85 3.989 -12.376 -0.003 1.00 0.00 C ATOM 1193 O LYS A 85 4.806 -13.292 -0.089 1.00 0.00 O ATOM 1194 CB LYS A 85 3.575 -11.999 2.497 1.00 0.00 C ATOM 1195 CG LYS A 85 4.288 -11.340 3.679 1.00 0.00 C ATOM 1196 CD LYS A 85 3.367 -10.346 4.390 1.00 0.00 C ATOM 1197 CE LYS A 85 4.173 -9.361 5.238 1.00 0.00 C ATOM 1198 NZ LYS A 85 4.493 -9.952 6.556 1.00 0.00 N ATOM 0 H LYS A 85 2.330 -10.191 1.263 1.00 0.00 H new ATOM 0 HA LYS A 85 5.089 -11.131 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.498 -11.870 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.770 -13.071 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.616 -12.105 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.182 -10.825 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.778 -9.800 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.664 -10.886 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.094 -9.094 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.606 -8.440 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.040 -9.270 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.611 -10.184 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.053 -10.818 6.421 1.00 0.00 H new ATOM 1212 N ARG A 86 3.021 -12.150 -0.879 1.00 0.00 N ATOM 1213 CA ARG A 86 2.851 -13.002 -2.044 1.00 0.00 C ATOM 1214 C ARG A 86 3.579 -12.404 -3.249 1.00 0.00 C ATOM 1215 O ARG A 86 3.850 -13.103 -4.224 1.00 0.00 O ATOM 1216 CB ARG A 86 1.370 -13.178 -2.386 1.00 0.00 C ATOM 1217 CG ARG A 86 0.810 -11.922 -3.058 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.508 -12.225 -3.773 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.524 -11.575 -5.103 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.551 -11.643 -5.960 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -2.652 -12.332 -5.633 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -1.477 -11.021 -7.145 1.00 0.00 N ATOM 0 H ARG A 86 2.346 -11.389 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 86 3.275 -13.978 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.245 -14.035 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.806 -13.391 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.652 -11.145 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.535 -11.534 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.632 -13.302 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.346 -11.868 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 86 0.299 -11.042 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.708 -12.805 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.434 -12.384 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.639 -10.496 -7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.259 -11.073 -7.798 1.00 0.00 H new ATOM 1236 N ALA A 87 3.874 -11.117 -3.143 1.00 0.00 N ATOM 1237 CA ALA A 87 4.565 -10.417 -4.213 1.00 0.00 C ATOM 1238 C ALA A 87 6.019 -10.889 -4.269 1.00 0.00 C ATOM 1239 O ALA A 87 6.306 -12.059 -4.020 1.00 0.00 O ATOM 1240 CB ALA A 87 4.450 -8.907 -3.993 1.00 0.00 C ATOM 0 H ALA A 87 3.647 -10.540 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 87 4.108 -10.642 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.968 -8.382 -4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.399 -8.619 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.901 -8.643 -3.036 1.00 0.00 H new ATOM 1246 N GLY A 88 6.899 -9.954 -4.598 1.00 0.00 N ATOM 1247 CA GLY A 88 8.316 -10.260 -4.690 1.00 0.00 C ATOM 1248 C GLY A 88 9.143 -8.984 -4.854 1.00 0.00 C ATOM 1249 O GLY A 88 8.774 -7.930 -4.338 1.00 0.00 O ATOM 0 H GLY A 88 6.658 -8.985 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.636 -10.792 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.494 -10.924 -5.536 1.00 0.00 H new ATOM 1253 N GLN A 89 10.246 -9.120 -5.575 1.00 0.00 N ATOM 1254 CA GLN A 89 11.129 -7.990 -5.814 1.00 0.00 C ATOM 1255 C GLN A 89 10.351 -6.833 -6.445 1.00 0.00 C ATOM 1256 O GLN A 89 10.411 -5.704 -5.962 1.00 0.00 O ATOM 1257 CB GLN A 89 12.315 -8.397 -6.690 1.00 0.00 C ATOM 1258 CG GLN A 89 13.405 -9.075 -5.858 1.00 0.00 C ATOM 1259 CD GLN A 89 14.797 -8.728 -6.390 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.966 -8.270 -7.508 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.781 -8.972 -5.530 1.00 0.00 N ATOM 0 H GLN A 89 10.549 -9.995 -6.002 1.00 0.00 H new ATOM 0 HA GLN A 89 11.526 -7.655 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.977 -9.075 -7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.725 -7.517 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.321 -8.761 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.263 -10.156 -5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.570 -9.356 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.747 -8.775 -5.791 1.00 0.00 H new ATOM 1270 N SER A 90 9.640 -7.155 -7.516 1.00 0.00 N ATOM 1271 CA SER A 90 8.852 -6.157 -8.218 1.00 0.00 C ATOM 1272 C SER A 90 7.381 -6.272 -7.814 1.00 0.00 C ATOM 1273 O SER A 90 6.684 -7.189 -8.248 1.00 0.00 O ATOM 1274 CB SER A 90 8.999 -6.305 -9.734 1.00 0.00 C ATOM 1275 OG SER A 90 9.460 -7.602 -10.101 1.00 0.00 O ATOM 0 H SER A 90 9.593 -8.093 -7.914 1.00 0.00 H new ATOM 0 HA SER A 90 9.223 -5.171 -7.939 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.038 -6.113 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.696 -5.554 -10.106 1.00 0.00 H new ATOM 0 HG SER A 90 9.539 -7.657 -11.076 1.00 0.00 H new ATOM 1281 N VAL A 91 6.951 -5.330 -6.988 1.00 0.00 N ATOM 1282 CA VAL A 91 5.575 -5.314 -6.520 1.00 0.00 C ATOM 1283 C VAL A 91 4.861 -4.087 -7.090 1.00 0.00 C ATOM 1284 O VAL A 91 5.417 -2.990 -7.100 1.00 0.00 O ATOM 1285 CB VAL A 91 5.541 -5.370 -4.992 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.127 -5.661 -4.485 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.538 -6.400 -4.458 1.00 0.00 C ATOM 0 H VAL A 91 7.532 -4.571 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 91 5.041 -6.195 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 91 5.837 -4.391 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.131 -5.695 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.451 -4.875 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.790 -6.621 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.493 -6.419 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.287 -7.386 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.545 -6.130 -4.775 1.00 0.00 H new ATOM 1297 N THR A 92 3.640 -4.313 -7.551 1.00 0.00 N ATOM 1298 CA THR A 92 2.844 -3.240 -8.121 1.00 0.00 C ATOM 1299 C THR A 92 1.746 -2.814 -7.145 1.00 0.00 C ATOM 1300 O THR A 92 0.719 -3.481 -7.031 1.00 0.00 O ATOM 1301 CB THR A 92 2.306 -3.716 -9.472 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.452 -4.236 -10.139 1.00 0.00 O ATOM 1303 CG2 THR A 92 1.850 -2.558 -10.362 1.00 0.00 C ATOM 0 H THR A 92 3.182 -5.224 -7.541 1.00 0.00 H new ATOM 0 HA THR A 92 3.447 -2.348 -8.292 1.00 0.00 H new ATOM 0 HB THR A 92 1.472 -4.399 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.193 -4.568 -11.024 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.477 -2.951 -11.308 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.056 -2.005 -9.861 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.692 -1.892 -10.552 1.00 0.00 H new ATOM 1311 N ILE A 93 2.000 -1.705 -6.466 1.00 0.00 N ATOM 1312 CA ILE A 93 1.046 -1.182 -5.503 1.00 0.00 C ATOM 1313 C ILE A 93 0.284 -0.012 -6.130 1.00 0.00 C ATOM 1314 O ILE A 93 0.845 1.066 -6.324 1.00 0.00 O ATOM 1315 CB ILE A 93 1.748 -0.826 -4.191 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.421 -2.056 -3.578 1.00 0.00 C ATOM 1317 CG2 ILE A 93 0.780 -0.156 -3.215 1.00 0.00 C ATOM 1318 CD1 ILE A 93 3.879 -2.165 -4.029 1.00 0.00 C ATOM 0 H ILE A 93 2.853 -1.154 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 93 0.309 -1.943 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 93 2.535 -0.104 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.377 -1.995 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.878 -2.955 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.305 0.086 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.389 0.758 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.044 -0.835 -2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.334 -3.047 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.919 -2.250 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.425 -1.275 -3.715 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.981 -0.264 -6.430 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.825 0.755 -7.031 1.00 0.00 C ATOM 1332 C VAL A 94 -2.603 1.480 -5.931 1.00 0.00 C ATOM 1333 O VAL A 94 -3.599 0.965 -5.427 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.734 0.124 -8.089 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.628 1.180 -8.742 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.913 -0.626 -9.139 1.00 0.00 C ATOM 0 H VAL A 94 -1.443 -1.159 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.218 1.500 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.379 -0.599 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.264 0.706 -9.490 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.251 1.650 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.007 1.937 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.582 -1.065 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.232 0.068 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.339 -1.416 -8.655 1.00 0.00 H new ATOM 1346 N ALA A 95 -2.117 2.666 -5.591 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.754 3.468 -4.560 1.00 0.00 C ATOM 1348 C ALA A 95 -3.077 4.853 -5.124 1.00 0.00 C ATOM 1349 O ALA A 95 -2.532 5.250 -6.153 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.845 3.536 -3.332 1.00 0.00 C ATOM 0 H ALA A 95 -1.290 3.090 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.693 3.013 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.323 4.138 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.670 2.529 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.893 3.990 -3.608 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.961 5.550 -4.426 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.363 6.882 -4.845 1.00 0.00 C ATOM 1358 C GLN A 96 -4.080 7.895 -3.734 1.00 0.00 C ATOM 1359 O GLN A 96 -4.684 7.833 -2.664 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.839 6.908 -5.248 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.715 6.285 -4.160 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.200 6.476 -4.476 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.532 6.164 -5.725 1.00 0.00 O flip ATOM 1364 NE2 GLN A 96 -8.992 6.882 -3.641 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.410 5.217 -3.573 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.777 7.159 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.153 7.936 -5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.974 6.365 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.492 5.222 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.483 6.739 -3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.671 7.104 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.975 7.000 -3.885 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.161 8.804 -4.025 1.00 0.00 N ATOM 1374 CA TYR A 97 -2.791 9.829 -3.065 1.00 0.00 C ATOM 1375 C TYR A 97 -4.026 10.567 -2.546 1.00 0.00 C ATOM 1376 O TYR A 97 -4.500 11.511 -3.177 1.00 0.00 O ATOM 1377 CB TYR A 97 -1.902 10.817 -3.823 1.00 0.00 C ATOM 1378 CG TYR A 97 -0.908 11.568 -2.935 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.191 11.769 -1.600 1.00 0.00 C ATOM 1380 CD2 TYR A 97 0.272 12.044 -3.470 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.255 12.476 -0.764 1.00 0.00 C ATOM 1382 CE2 TYR A 97 1.208 12.751 -2.634 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.898 12.932 -1.323 1.00 0.00 C ATOM 1384 OH TYR A 97 1.782 13.600 -0.533 1.00 0.00 O ATOM 0 H TYR A 97 -2.661 8.852 -4.913 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.286 9.385 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.350 10.277 -4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.536 11.541 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.114 11.396 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.493 11.886 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.464 12.640 0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.135 13.129 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 97 2.560 13.866 -1.066 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.513 10.109 -1.402 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.685 10.714 -0.792 1.00 0.00 C ATOM 1396 C ARG A 98 -5.467 10.896 0.711 1.00 0.00 C ATOM 1397 O ARG A 98 -5.832 10.030 1.504 1.00 0.00 O ATOM 1398 CB ARG A 98 -6.930 9.855 -1.019 1.00 0.00 C ATOM 1399 CG ARG A 98 -7.295 9.799 -2.504 1.00 0.00 C ATOM 1400 CD ARG A 98 -7.629 11.193 -3.040 1.00 0.00 C ATOM 1401 NE ARG A 98 -8.721 11.105 -4.034 1.00 0.00 N ATOM 1402 CZ ARG A 98 -9.961 10.681 -3.754 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -10.274 10.304 -2.506 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -10.888 10.634 -4.720 1.00 0.00 N ATOM 0 H ARG A 98 -4.117 9.326 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.838 11.686 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.753 8.846 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.766 10.263 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.465 9.377 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.148 9.136 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.925 11.846 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.745 11.637 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.517 11.385 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.568 10.340 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.218 9.981 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.650 10.921 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.832 10.311 -4.506 1.00 0.00 H new ATOM 1418 N PRO A 99 -4.856 12.058 1.067 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.584 12.365 2.461 1.00 0.00 C ATOM 1420 C PRO A 99 -5.865 12.774 3.192 1.00 0.00 C ATOM 1421 O PRO A 99 -6.000 12.541 4.392 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.542 13.471 2.425 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.610 14.062 1.026 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.409 13.107 0.155 1.00 0.00 C ATOM 0 HA PRO A 99 -4.212 11.504 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.751 14.229 3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.547 13.078 2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.083 15.044 1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.608 14.200 0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.254 13.611 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.797 12.698 -0.649 1.00 0.00 H new ATOM 1432 N GLU A 100 -6.772 13.376 2.437 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.037 13.820 2.998 1.00 0.00 C ATOM 1434 C GLU A 100 -8.738 12.661 3.709 1.00 0.00 C ATOM 1435 O GLU A 100 -9.434 12.867 4.702 1.00 0.00 O ATOM 1436 CB GLU A 100 -8.935 14.423 1.916 1.00 0.00 C ATOM 1437 CG GLU A 100 -8.213 15.543 1.165 1.00 0.00 C ATOM 1438 CD GLU A 100 -9.117 16.767 1.003 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -9.897 17.024 1.945 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -9.009 17.416 -0.059 1.00 0.00 O ATOM 0 H GLU A 100 -6.656 13.567 1.442 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.833 14.600 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.237 13.646 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.846 14.813 2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.309 15.823 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.900 15.185 0.184 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.530 11.467 3.173 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.133 10.275 3.745 1.00 0.00 C ATOM 1449 C GLU A 101 -8.248 9.715 4.861 1.00 0.00 C ATOM 1450 O GLU A 101 -8.721 9.473 5.970 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.389 9.220 2.667 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.440 9.703 1.665 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.707 8.850 1.745 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -12.182 8.644 2.883 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.172 8.422 0.666 1.00 0.00 O ATOM 0 H GLU A 101 -7.953 11.300 2.349 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.096 10.549 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.459 8.996 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.724 8.293 3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.686 10.746 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.032 9.660 0.655 1.00 0.00 H new ATOM 1462 N TYR A 102 -6.980 9.525 4.528 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.025 8.998 5.488 1.00 0.00 C ATOM 1464 C TYR A 102 -6.071 9.789 6.797 1.00 0.00 C ATOM 1465 O TYR A 102 -5.768 9.252 7.862 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.646 9.171 4.849 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.481 8.854 5.789 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.338 7.582 6.305 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.573 9.839 6.121 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.241 7.282 7.189 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.477 9.540 7.005 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.365 8.276 7.495 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.329 7.994 8.330 1.00 0.00 O ATOM 0 H TYR A 102 -6.592 9.727 3.607 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.250 7.957 5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.579 8.525 3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.546 10.198 4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.049 6.811 6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.685 10.834 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.117 6.291 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.760 10.302 7.273 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.596 7.289 8.956 1.00 0.00 H new ATOM 1483 N SER A 103 -6.452 11.052 6.675 1.00 0.00 N ATOM 1484 CA SER A 103 -6.541 11.922 7.835 1.00 0.00 C ATOM 1485 C SER A 103 -7.455 11.296 8.890 1.00 0.00 C ATOM 1486 O SER A 103 -7.295 11.547 10.084 1.00 0.00 O ATOM 1487 CB SER A 103 -7.054 13.310 7.445 1.00 0.00 C ATOM 1488 OG SER A 103 -8.312 13.246 6.779 1.00 0.00 O ATOM 0 H SER A 103 -6.703 11.494 5.790 1.00 0.00 H new ATOM 0 HA SER A 103 -5.541 12.038 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.148 13.926 8.339 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.325 13.797 6.797 1.00 0.00 H new ATOM 0 HG SER A 103 -8.257 12.609 6.037 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.394 10.493 8.412 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.334 9.828 9.299 1.00 0.00 C ATOM 1496 C ARG A 104 -8.595 8.864 10.229 1.00 0.00 C ATOM 1497 O ARG A 104 -9.074 8.558 11.319 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.388 9.054 8.504 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.810 7.748 7.956 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.305 7.485 6.532 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.415 6.506 6.555 1.00 0.00 N ATOM 1502 CZ ARG A 104 -11.967 5.971 5.457 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -11.515 6.315 4.244 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -12.970 5.090 5.574 1.00 0.00 N ATOM 0 H ARG A 104 -8.524 10.288 7.421 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.833 10.596 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.244 8.837 9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.752 9.669 7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.721 7.797 7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.096 6.919 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.640 8.417 6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.488 7.106 5.918 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.783 6.221 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.750 6.984 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.935 5.908 3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.313 4.827 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.391 4.682 4.739 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.440 8.411 9.763 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.631 7.487 10.539 1.00 0.00 C ATOM 1520 C PHE A 105 -5.635 8.240 11.423 1.00 0.00 C ATOM 1521 O PHE A 105 -5.500 7.939 12.608 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.857 6.623 9.541 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.610 5.371 9.087 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.612 4.258 9.870 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.277 5.370 7.902 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.311 3.096 9.449 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.975 4.208 7.481 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.977 3.095 8.263 1.00 0.00 C ATOM 0 H PHE A 105 -7.046 8.667 8.858 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.270 6.887 11.187 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.614 7.226 8.666 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.912 6.322 9.993 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.082 4.259 10.811 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.276 6.254 7.281 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.314 2.213 10.071 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.505 4.208 6.540 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.507 2.211 7.942 1.00 0.00 H new