USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -126:sc= 0 (180deg=-0.757) USER MOD Single : A 24 SER OG : rot 47:sc= 0.644 USER MOD Single : A 29 THR OG1 : rot 166:sc= 0.428 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -53:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.08) USER MOD Single : A 41 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 43 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.8) USER MOD Single : A 44 ASN : amide:sc= -0.0528 K(o=-0.053,f=-2.1!) USER MOD Single : A 47 GLN : amide:sc= -0.738 K(o=-0.74,f=-0.031) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 82:sc= 0.364 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00735) USER MOD Single : A 86 MET CE :methyl -164:sc= -0.117 (180deg=-0.631) USER MOD Single : A 87 GLN : amide:sc= -0.697 K(o=-0.7,f=-2.7!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 94 HIS : no HD1:sc= -0.92 K(o=-0.92,f=-0.22) USER MOD Single : A 95 ASN : amide:sc= -0.178 K(o=-0.18,f=-4.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.231 -13.631 -5.242 1.00 0.00 N ATOM 172 CA ILE A 17 -4.830 -13.213 -5.305 1.00 0.00 C ATOM 173 C ILE A 17 -3.991 -14.407 -5.758 1.00 0.00 C ATOM 174 O ILE A 17 -3.149 -14.244 -6.636 1.00 0.00 O ATOM 175 CB ILE A 17 -4.335 -12.561 -3.987 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.846 -12.147 -4.044 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.514 -13.438 -2.734 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.479 -11.162 -5.158 1.00 0.00 C ATOM 0 HA ILE A 17 -4.720 -12.416 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.976 -11.684 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.573 -11.704 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.241 -13.046 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.142 -12.904 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.571 -13.665 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.956 -14.366 -2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.413 -10.938 -5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.713 -11.604 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.050 -10.242 -5.033 1.00 0.00 H new ATOM 190 N GLN A 18 -4.258 -15.604 -5.220 1.00 0.00 N ATOM 191 CA GLN A 18 -3.551 -16.838 -5.560 1.00 0.00 C ATOM 192 C GLN A 18 -3.538 -17.053 -7.070 1.00 0.00 C ATOM 193 O GLN A 18 -2.483 -17.305 -7.636 1.00 0.00 O ATOM 194 CB GLN A 18 -4.202 -18.030 -4.835 1.00 0.00 C ATOM 195 CG GLN A 18 -3.271 -18.619 -3.771 1.00 0.00 C ATOM 196 CD GLN A 18 -4.028 -19.545 -2.826 1.00 0.00 C ATOM 197 OE1 GLN A 18 -4.008 -20.770 -2.948 1.00 0.00 O ATOM 198 NE2 GLN A 18 -4.725 -18.994 -1.846 1.00 0.00 N ATOM 0 H GLN A 18 -4.988 -15.741 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.516 -16.756 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.132 -17.708 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.460 -18.801 -5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.464 -19.170 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.809 -17.812 -3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.744 -17.980 -1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.243 -19.584 -1.195 1.00 0.00 H new ATOM 207 N GLU A 19 -4.692 -16.894 -7.715 1.00 0.00 N ATOM 208 CA GLU A 19 -4.866 -17.039 -9.150 1.00 0.00 C ATOM 209 C GLU A 19 -3.940 -16.088 -9.901 1.00 0.00 C ATOM 210 O GLU A 19 -3.157 -16.497 -10.753 1.00 0.00 O ATOM 211 CB GLU A 19 -6.328 -16.726 -9.496 1.00 0.00 C ATOM 212 CG GLU A 19 -6.702 -17.252 -10.884 1.00 0.00 C ATOM 213 CD GLU A 19 -7.788 -18.308 -10.755 1.00 0.00 C ATOM 214 OE1 GLU A 19 -7.495 -19.418 -10.254 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.954 -18.014 -11.088 1.00 0.00 O ATOM 0 H GLU A 19 -5.558 -16.653 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.618 -18.058 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.983 -17.172 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.489 -15.649 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.051 -16.433 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.824 -17.676 -11.372 1.00 0.00 H new ATOM 222 N ILE A 20 -4.020 -14.800 -9.572 1.00 0.00 N ATOM 223 CA ILE A 20 -3.277 -13.765 -10.262 1.00 0.00 C ATOM 224 C ILE A 20 -1.776 -13.971 -10.063 1.00 0.00 C ATOM 225 O ILE A 20 -1.025 -13.754 -11.011 1.00 0.00 O ATOM 226 CB ILE A 20 -3.773 -12.383 -9.795 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.244 -12.121 -10.191 1.00 0.00 C ATOM 228 CG2 ILE A 20 -2.865 -11.278 -10.349 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.558 -12.246 -11.687 1.00 0.00 C ATOM 0 H ILE A 20 -4.607 -14.451 -8.815 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.451 -13.821 -11.336 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.728 -12.375 -8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.879 -12.819 -9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.517 -11.118 -9.863 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.227 -10.307 -10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.847 -11.430 -9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.876 -11.311 -11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.616 -12.043 -11.855 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.957 -11.529 -12.246 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.325 -13.256 -12.025 1.00 0.00 H new ATOM 241 N VAL A 21 -1.352 -14.395 -8.872 1.00 0.00 N ATOM 242 CA VAL A 21 0.027 -14.732 -8.542 1.00 0.00 C ATOM 243 C VAL A 21 0.470 -15.948 -9.337 1.00 0.00 C ATOM 244 O VAL A 21 1.604 -16.004 -9.812 1.00 0.00 O ATOM 245 CB VAL A 21 0.109 -15.014 -7.029 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.427 -15.647 -6.570 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.074 -13.727 -6.229 1.00 0.00 C ATOM 0 H VAL A 21 -1.987 -14.517 -8.083 1.00 0.00 H new ATOM 0 HA VAL A 21 0.689 -13.904 -8.797 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.693 -15.729 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.397 -15.810 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.569 -16.601 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.255 -14.981 -6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.013 -13.949 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.709 -13.017 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.049 -13.294 -6.454 1.00 0.00 H new ATOM 257 N ALA A 22 -0.406 -16.935 -9.468 1.00 0.00 N ATOM 258 CA ALA A 22 -0.123 -18.158 -10.192 1.00 0.00 C ATOM 259 C ALA A 22 0.099 -17.807 -11.667 1.00 0.00 C ATOM 260 O ALA A 22 1.006 -18.338 -12.308 1.00 0.00 O ATOM 261 CB ALA A 22 -1.272 -19.146 -9.973 1.00 0.00 C ATOM 0 H ALA A 22 -1.344 -16.904 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 22 0.784 -18.642 -9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.066 -20.069 -10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.367 -19.363 -8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.202 -18.710 -10.339 1.00 0.00 H new ATOM 267 N MET A 23 -0.683 -16.854 -12.175 1.00 0.00 N ATOM 268 CA MET A 23 -0.582 -16.261 -13.499 1.00 0.00 C ATOM 269 C MET A 23 0.483 -15.158 -13.593 1.00 0.00 C ATOM 270 O MET A 23 0.664 -14.623 -14.689 1.00 0.00 O ATOM 271 CB MET A 23 -1.952 -15.675 -13.879 1.00 0.00 C ATOM 272 CG MET A 23 -3.110 -16.679 -13.911 1.00 0.00 C ATOM 273 SD MET A 23 -3.256 -17.679 -15.419 1.00 0.00 S ATOM 274 CE MET A 23 -2.181 -19.096 -15.059 1.00 0.00 C ATOM 0 H MET A 23 -1.450 -16.454 -11.635 1.00 0.00 H new ATOM 0 HA MET A 23 -0.277 -17.050 -14.186 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.199 -14.884 -13.171 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.870 -15.210 -14.861 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.004 -17.353 -13.061 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.042 -16.132 -13.770 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.449 -19.210 -15.859 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.663 -18.929 -14.115 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.784 -20.001 -14.987 1.00 0.00 H new ATOM 284 N SER A 24 1.167 -14.761 -12.516 1.00 0.00 N ATOM 285 CA SER A 24 2.247 -13.786 -12.612 1.00 0.00 C ATOM 286 C SER A 24 3.445 -14.469 -13.286 1.00 0.00 C ATOM 287 O SER A 24 3.752 -15.617 -12.939 1.00 0.00 O ATOM 288 CB SER A 24 2.610 -13.215 -11.228 1.00 0.00 C ATOM 289 OG SER A 24 1.571 -12.404 -10.716 1.00 0.00 O ATOM 0 H SER A 24 0.989 -15.101 -11.571 1.00 0.00 H new ATOM 0 HA SER A 24 1.931 -12.934 -13.214 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.810 -14.033 -10.536 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.527 -12.630 -11.303 1.00 0.00 H new ATOM 0 HG SER A 24 0.713 -12.865 -10.823 1.00 0.00 H new ATOM 295 N PRO A 25 4.144 -13.805 -14.224 1.00 0.00 N ATOM 296 CA PRO A 25 5.462 -14.245 -14.658 1.00 0.00 C ATOM 297 C PRO A 25 6.437 -14.068 -13.485 1.00 0.00 C ATOM 298 O PRO A 25 6.045 -13.608 -12.411 1.00 0.00 O ATOM 299 CB PRO A 25 5.799 -13.363 -15.861 1.00 0.00 C ATOM 300 CG PRO A 25 5.135 -12.039 -15.493 1.00 0.00 C ATOM 301 CD PRO A 25 3.874 -12.468 -14.740 1.00 0.00 C ATOM 0 HA PRO A 25 5.515 -15.294 -14.949 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.875 -13.254 -15.996 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.401 -13.773 -16.789 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.784 -11.424 -14.870 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.893 -11.452 -16.379 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.650 -11.775 -13.929 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.008 -12.474 -15.402 1.00 0.00 H new ATOM 309 N GLU A 26 7.698 -14.463 -13.654 1.00 0.00 N ATOM 310 CA GLU A 26 8.679 -14.231 -12.607 1.00 0.00 C ATOM 311 C GLU A 26 8.838 -12.733 -12.332 1.00 0.00 C ATOM 312 O GLU A 26 9.134 -11.935 -13.233 1.00 0.00 O ATOM 313 CB GLU A 26 10.012 -14.941 -12.899 1.00 0.00 C ATOM 314 CG GLU A 26 10.212 -15.923 -11.759 1.00 0.00 C ATOM 315 CD GLU A 26 11.321 -16.957 -11.878 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.511 -16.581 -11.835 1.00 0.00 O ATOM 317 OE2 GLU A 26 10.961 -18.157 -11.848 1.00 0.00 O ATOM 0 H GLU A 26 8.054 -14.933 -14.486 1.00 0.00 H new ATOM 0 HA GLU A 26 8.307 -14.681 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.979 -15.457 -13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.834 -14.226 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.393 -15.346 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.274 -16.458 -11.614 1.00 0.00 H new ATOM 324 N LEU A 27 8.589 -12.383 -11.071 1.00 0.00 N ATOM 325 CA LEU A 27 8.495 -11.045 -10.524 1.00 0.00 C ATOM 326 C LEU A 27 9.644 -10.896 -9.551 1.00 0.00 C ATOM 327 O LEU A 27 9.752 -11.636 -8.574 1.00 0.00 O ATOM 328 CB LEU A 27 7.131 -10.846 -9.860 1.00 0.00 C ATOM 329 CG LEU A 27 6.316 -9.778 -10.593 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.948 -10.226 -12.006 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.042 -9.552 -9.797 1.00 0.00 C ATOM 0 H LEU A 27 8.437 -13.091 -10.353 1.00 0.00 H new ATOM 0 HA LEU A 27 8.569 -10.278 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.583 -11.788 -9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.268 -10.553 -8.819 1.00 0.00 H new ATOM 0 HG LEU A 27 6.908 -8.867 -10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.370 -9.443 -12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.858 -10.417 -12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.354 -11.138 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.434 -8.794 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.481 -10.485 -9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.296 -9.215 -8.792 1.00 0.00 H new ATOM 343 N ASP A 28 10.546 -9.982 -9.874 1.00 0.00 N ATOM 344 CA ASP A 28 11.873 -9.942 -9.300 1.00 0.00 C ATOM 345 C ASP A 28 11.858 -9.416 -7.872 1.00 0.00 C ATOM 346 O ASP A 28 11.929 -8.206 -7.650 1.00 0.00 O ATOM 347 CB ASP A 28 12.759 -9.089 -10.187 1.00 0.00 C ATOM 348 CG ASP A 28 14.207 -9.158 -9.720 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.656 -10.219 -9.213 1.00 0.00 O ATOM 350 OD2 ASP A 28 14.919 -8.148 -9.887 1.00 0.00 O ATOM 0 H ASP A 28 10.370 -9.240 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 28 12.268 -10.957 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.687 -9.431 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.414 -8.055 -10.169 1.00 0.00 H new ATOM 355 N THR A 29 11.735 -10.335 -6.915 1.00 0.00 N ATOM 356 CA THR A 29 11.392 -10.050 -5.529 1.00 0.00 C ATOM 357 C THR A 29 12.233 -8.900 -4.974 1.00 0.00 C ATOM 358 O THR A 29 11.669 -7.926 -4.476 1.00 0.00 O ATOM 359 CB THR A 29 11.474 -11.336 -4.682 1.00 0.00 C ATOM 360 OG1 THR A 29 12.744 -11.948 -4.753 1.00 0.00 O ATOM 361 CG2 THR A 29 10.445 -12.368 -5.143 1.00 0.00 C ATOM 0 H THR A 29 11.877 -11.329 -7.092 1.00 0.00 H new ATOM 0 HA THR A 29 10.358 -9.708 -5.480 1.00 0.00 H new ATOM 0 HB THR A 29 11.277 -11.023 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.823 -12.620 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.527 -13.264 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.443 -11.951 -5.045 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.631 -12.626 -6.186 1.00 0.00 H new ATOM 369 N TYR A 30 13.559 -8.982 -5.107 1.00 0.00 N ATOM 370 CA TYR A 30 14.506 -7.973 -4.676 1.00 0.00 C ATOM 371 C TYR A 30 14.164 -6.595 -5.226 1.00 0.00 C ATOM 372 O TYR A 30 13.841 -5.704 -4.442 1.00 0.00 O ATOM 373 CB TYR A 30 15.916 -8.417 -5.063 1.00 0.00 C ATOM 374 CG TYR A 30 16.987 -7.770 -4.227 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.193 -8.262 -2.929 1.00 0.00 C ATOM 376 CD2 TYR A 30 17.765 -6.709 -4.720 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.202 -7.725 -2.115 1.00 0.00 C ATOM 378 CE2 TYR A 30 18.768 -6.156 -3.905 1.00 0.00 C ATOM 379 CZ TYR A 30 18.990 -6.659 -2.600 1.00 0.00 C ATOM 380 OH TYR A 30 19.959 -6.114 -1.815 1.00 0.00 O ATOM 0 H TYR A 30 14.012 -9.789 -5.536 1.00 0.00 H new ATOM 0 HA TYR A 30 14.453 -7.876 -3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.990 -9.500 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.090 -8.181 -6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.570 -9.060 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.594 -6.323 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.374 -8.124 -1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.373 -5.342 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 30 20.407 -5.392 -2.303 1.00 0.00 H new ATOM 390 N SER A 31 14.200 -6.422 -6.549 1.00 0.00 N ATOM 391 CA SER A 31 13.929 -5.154 -7.209 1.00 0.00 C ATOM 392 C SER A 31 12.570 -4.597 -6.791 1.00 0.00 C ATOM 393 O SER A 31 12.479 -3.403 -6.517 1.00 0.00 O ATOM 394 CB SER A 31 14.019 -5.366 -8.724 1.00 0.00 C ATOM 395 OG SER A 31 13.664 -4.212 -9.459 1.00 0.00 O ATOM 0 H SER A 31 14.423 -7.176 -7.199 1.00 0.00 H new ATOM 0 HA SER A 31 14.670 -4.413 -6.909 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.035 -5.660 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.365 -6.190 -9.011 1.00 0.00 H new ATOM 0 HG SER A 31 13.739 -4.399 -10.418 1.00 0.00 H new ATOM 401 N ILE A 32 11.534 -5.427 -6.685 1.00 0.00 N ATOM 402 CA ILE A 32 10.215 -4.979 -6.251 1.00 0.00 C ATOM 403 C ILE A 32 10.355 -4.402 -4.843 1.00 0.00 C ATOM 404 O ILE A 32 9.955 -3.261 -4.631 1.00 0.00 O ATOM 405 CB ILE A 32 9.203 -6.140 -6.372 1.00 0.00 C ATOM 406 CG1 ILE A 32 9.085 -6.516 -7.866 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.817 -5.781 -5.797 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.344 -7.826 -8.110 1.00 0.00 C ATOM 0 H ILE A 32 11.586 -6.423 -6.897 1.00 0.00 H new ATOM 0 HA ILE A 32 9.819 -4.187 -6.886 1.00 0.00 H new ATOM 0 HB ILE A 32 9.567 -6.983 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.570 -5.713 -8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.085 -6.589 -8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.145 -6.632 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.915 -5.531 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.410 -4.925 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.300 -8.025 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.870 -8.640 -7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.332 -7.751 -7.713 1.00 0.00 H new ATOM 420 N THR A 33 10.984 -5.109 -3.894 1.00 0.00 N ATOM 421 CA THR A 33 11.172 -4.548 -2.553 1.00 0.00 C ATOM 422 C THR A 33 11.930 -3.230 -2.603 1.00 0.00 C ATOM 423 O THR A 33 11.597 -2.313 -1.861 1.00 0.00 O ATOM 424 CB THR A 33 11.886 -5.504 -1.587 1.00 0.00 C ATOM 425 OG1 THR A 33 13.273 -5.650 -1.834 1.00 0.00 O ATOM 426 CG2 THR A 33 11.240 -6.883 -1.574 1.00 0.00 C ATOM 0 H THR A 33 11.362 -6.047 -4.026 1.00 0.00 H new ATOM 0 HA THR A 33 10.166 -4.380 -2.169 1.00 0.00 H new ATOM 0 HB THR A 33 11.776 -5.031 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.415 -5.889 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.775 -7.529 -0.878 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.200 -6.795 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.282 -7.314 -2.574 1.00 0.00 H new ATOM 434 N LYS A 34 12.946 -3.136 -3.464 1.00 0.00 N ATOM 435 CA LYS A 34 13.748 -1.940 -3.621 1.00 0.00 C ATOM 436 C LYS A 34 12.830 -0.811 -4.026 1.00 0.00 C ATOM 437 O LYS A 34 12.669 0.123 -3.253 1.00 0.00 O ATOM 438 CB LYS A 34 14.915 -2.145 -4.597 1.00 0.00 C ATOM 439 CG LYS A 34 15.983 -3.046 -3.968 1.00 0.00 C ATOM 440 CD LYS A 34 17.361 -2.863 -4.592 1.00 0.00 C ATOM 441 CE LYS A 34 17.984 -1.505 -4.257 1.00 0.00 C ATOM 442 NZ LYS A 34 19.461 -1.553 -4.282 1.00 0.00 N ATOM 0 H LYS A 34 13.231 -3.902 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 34 14.226 -1.688 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.550 -2.593 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.351 -1.181 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.043 -2.837 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.679 -4.087 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.022 -3.657 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.282 -2.965 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.633 -0.759 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.648 -1.185 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.843 -0.614 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.798 -2.246 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.783 -1.833 -5.230 1.00 0.00 H new ATOM 456 N ARG A 35 12.179 -0.936 -5.179 1.00 0.00 N ATOM 457 CA ARG A 35 11.275 0.051 -5.753 1.00 0.00 C ATOM 458 C ARG A 35 10.194 0.453 -4.743 1.00 0.00 C ATOM 459 O ARG A 35 9.909 1.634 -4.592 1.00 0.00 O ATOM 460 CB ARG A 35 10.713 -0.554 -7.056 1.00 0.00 C ATOM 461 CG ARG A 35 10.352 0.447 -8.163 1.00 0.00 C ATOM 462 CD ARG A 35 8.942 0.994 -7.981 1.00 0.00 C ATOM 463 NE ARG A 35 8.334 1.492 -9.228 1.00 0.00 N ATOM 464 CZ ARG A 35 7.755 0.754 -10.185 1.00 0.00 C ATOM 465 NH1 ARG A 35 7.809 -0.574 -10.173 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.102 1.341 -11.173 1.00 0.00 N ATOM 0 H ARG A 35 12.273 -1.766 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 35 11.791 0.981 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.447 -1.255 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.821 -1.131 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.066 1.270 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.432 -0.039 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.308 0.210 -7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.967 1.803 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 35 8.356 2.501 -9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.301 -1.058 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.359 -1.109 -10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.038 2.358 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.662 0.777 -11.900 1.00 0.00 H new ATOM 480 N VAL A 36 9.631 -0.500 -4.002 1.00 0.00 N ATOM 481 CA VAL A 36 8.627 -0.256 -2.972 1.00 0.00 C ATOM 482 C VAL A 36 9.201 0.617 -1.851 1.00 0.00 C ATOM 483 O VAL A 36 8.597 1.627 -1.482 1.00 0.00 O ATOM 484 CB VAL A 36 8.089 -1.620 -2.489 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.313 -1.521 -1.181 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.111 -2.211 -3.514 1.00 0.00 C ATOM 0 H VAL A 36 9.867 -1.487 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 36 7.786 0.311 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 36 8.972 -2.244 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.960 -2.511 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.964 -1.126 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.460 -0.856 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.744 -3.172 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.271 -1.530 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.623 -2.352 -4.466 1.00 0.00 H new ATOM 496 N LYS A 37 10.351 0.227 -1.297 1.00 0.00 N ATOM 497 CA LYS A 37 11.032 0.972 -0.248 1.00 0.00 C ATOM 498 C LYS A 37 11.376 2.364 -0.723 1.00 0.00 C ATOM 499 O LYS A 37 11.193 3.278 0.074 1.00 0.00 O ATOM 500 CB LYS A 37 12.331 0.260 0.130 1.00 0.00 C ATOM 501 CG LYS A 37 12.097 -0.936 1.047 1.00 0.00 C ATOM 502 CD LYS A 37 13.416 -1.633 1.407 1.00 0.00 C ATOM 503 CE LYS A 37 14.052 -2.296 0.177 1.00 0.00 C ATOM 504 NZ LYS A 37 15.199 -3.152 0.537 1.00 0.00 N ATOM 0 H LYS A 37 10.838 -0.626 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 37 10.366 1.033 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.835 -0.075 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.998 0.967 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.598 -0.606 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.430 -1.646 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.110 -0.907 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.234 -2.385 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.302 -2.895 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.380 -1.525 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.690 -3.456 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.857 -2.616 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.860 -3.988 1.055 1.00 0.00 H new ATOM 518 N GLU A 38 11.866 2.521 -1.957 1.00 0.00 N ATOM 519 CA GLU A 38 12.123 3.843 -2.517 1.00 0.00 C ATOM 520 C GLU A 38 10.844 4.664 -2.406 1.00 0.00 C ATOM 521 O GLU A 38 10.860 5.693 -1.755 1.00 0.00 O ATOM 522 CB GLU A 38 12.625 3.806 -3.966 1.00 0.00 C ATOM 523 CG GLU A 38 13.925 3.029 -4.189 1.00 0.00 C ATOM 524 CD GLU A 38 15.180 3.586 -3.524 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.573 4.748 -3.783 1.00 0.00 O ATOM 526 OE2 GLU A 38 15.879 2.784 -2.861 1.00 0.00 O ATOM 0 H GLU A 38 12.091 1.748 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 38 12.930 4.302 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.847 3.368 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.770 4.830 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.777 2.009 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.106 2.970 -5.262 1.00 0.00 H new ATOM 533 N VAL A 39 9.712 4.181 -2.920 1.00 0.00 N ATOM 534 CA VAL A 39 8.443 4.905 -2.853 1.00 0.00 C ATOM 535 C VAL A 39 8.061 5.282 -1.410 1.00 0.00 C ATOM 536 O VAL A 39 7.669 6.432 -1.190 1.00 0.00 O ATOM 537 CB VAL A 39 7.348 4.125 -3.613 1.00 0.00 C ATOM 538 CG1 VAL A 39 5.969 4.777 -3.471 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.676 4.056 -5.113 1.00 0.00 C ATOM 0 H VAL A 39 9.649 3.279 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 39 8.557 5.863 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 39 7.323 3.128 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.232 4.193 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.690 4.812 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.003 5.790 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.893 3.503 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.736 5.066 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.631 3.551 -5.254 1.00 0.00 H new ATOM 549 N LEU A 40 8.174 4.382 -0.416 1.00 0.00 N ATOM 550 CA LEU A 40 7.889 4.765 0.971 1.00 0.00 C ATOM 551 C LEU A 40 8.887 5.790 1.501 1.00 0.00 C ATOM 552 O LEU A 40 8.502 6.680 2.251 1.00 0.00 O ATOM 553 CB LEU A 40 7.916 3.563 1.931 1.00 0.00 C ATOM 554 CG LEU A 40 6.848 2.494 1.719 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.028 1.518 2.870 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.393 2.970 1.693 1.00 0.00 C ATOM 0 H LEU A 40 8.454 3.410 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 40 6.887 5.194 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.894 3.087 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.824 3.939 2.950 1.00 0.00 H new ATOM 0 HG LEU A 40 6.997 2.076 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.293 0.717 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.032 1.094 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.889 2.041 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.734 2.116 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.149 3.447 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.259 3.686 0.882 1.00 0.00 H new ATOM 568 N THR A 41 10.160 5.644 1.165 1.00 0.00 N ATOM 569 CA THR A 41 11.238 6.515 1.587 1.00 0.00 C ATOM 570 C THR A 41 11.004 7.919 1.044 1.00 0.00 C ATOM 571 O THR A 41 10.920 8.877 1.812 1.00 0.00 O ATOM 572 CB THR A 41 12.543 5.905 1.065 1.00 0.00 C ATOM 573 OG1 THR A 41 12.735 4.653 1.685 1.00 0.00 O ATOM 574 CG2 THR A 41 13.736 6.798 1.318 1.00 0.00 C ATOM 0 H THR A 41 10.479 4.883 0.566 1.00 0.00 H new ATOM 0 HA THR A 41 11.288 6.600 2.672 1.00 0.00 H new ATOM 0 HB THR A 41 12.459 5.790 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.049 4.026 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.636 6.321 0.930 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.587 7.755 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.846 6.963 2.390 1.00 0.00 H new ATOM 582 N ASP A 42 10.879 8.015 -0.275 1.00 0.00 N ATOM 583 CA ASP A 42 10.734 9.214 -1.076 1.00 0.00 C ATOM 584 C ASP A 42 9.584 10.038 -0.517 1.00 0.00 C ATOM 585 O ASP A 42 9.750 11.227 -0.244 1.00 0.00 O ATOM 586 CB ASP A 42 10.449 8.806 -2.533 1.00 0.00 C ATOM 587 CG ASP A 42 11.693 8.414 -3.332 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.697 9.159 -3.285 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.646 7.403 -4.065 1.00 0.00 O ATOM 0 H ASP A 42 10.877 7.178 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 42 11.646 9.811 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.752 7.968 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.952 9.634 -3.039 1.00 0.00 H new ATOM 594 N ASN A 43 8.429 9.393 -0.320 1.00 0.00 N ATOM 595 CA ASN A 43 7.184 10.014 0.136 1.00 0.00 C ATOM 596 C ASN A 43 7.082 10.080 1.663 1.00 0.00 C ATOM 597 O ASN A 43 6.089 10.580 2.196 1.00 0.00 O ATOM 598 CB ASN A 43 5.996 9.269 -0.490 1.00 0.00 C ATOM 599 CG ASN A 43 5.998 9.502 -1.992 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.716 10.599 -2.462 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.393 8.507 -2.769 1.00 0.00 N ATOM 0 H ASN A 43 8.334 8.390 -0.480 1.00 0.00 H new ATOM 0 HA ASN A 43 7.172 11.052 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.065 8.203 -0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.060 9.622 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.467 8.645 -3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.623 7.601 -2.360 1.00 0.00 H new ATOM 608 N ASN A 44 8.121 9.611 2.356 1.00 0.00 N ATOM 609 CA ASN A 44 8.275 9.438 3.795 1.00 0.00 C ATOM 610 C ASN A 44 7.024 8.867 4.470 1.00 0.00 C ATOM 611 O ASN A 44 6.201 9.583 5.055 1.00 0.00 O ATOM 612 CB ASN A 44 8.799 10.716 4.452 1.00 0.00 C ATOM 613 CG ASN A 44 9.535 10.401 5.748 1.00 0.00 C ATOM 614 OD1 ASN A 44 9.235 9.428 6.438 1.00 0.00 O ATOM 615 ND2 ASN A 44 10.532 11.201 6.076 1.00 0.00 N ATOM 0 H ASN A 44 8.964 9.312 1.866 1.00 0.00 H new ATOM 0 HA ASN A 44 9.037 8.674 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.469 11.234 3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.968 11.391 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.075 11.019 6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.759 12.001 5.486 1.00 0.00 H new ATOM 622 N LEU A 45 6.885 7.548 4.378 1.00 0.00 N ATOM 623 CA LEU A 45 5.759 6.730 4.814 1.00 0.00 C ATOM 624 C LEU A 45 6.271 5.620 5.730 1.00 0.00 C ATOM 625 O LEU A 45 7.459 5.294 5.722 1.00 0.00 O ATOM 626 CB LEU A 45 5.090 6.103 3.580 1.00 0.00 C ATOM 627 CG LEU A 45 4.322 7.108 2.711 1.00 0.00 C ATOM 628 CD1 LEU A 45 4.120 6.568 1.297 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.944 7.375 3.309 1.00 0.00 C ATOM 0 H LEU A 45 7.620 6.976 3.961 1.00 0.00 H new ATOM 0 HA LEU A 45 5.038 7.345 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.854 5.620 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.404 5.322 3.908 1.00 0.00 H new ATOM 0 HG LEU A 45 4.910 8.025 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.573 7.300 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.090 6.379 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.552 5.639 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.408 8.089 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.382 6.443 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.056 7.784 4.313 1.00 0.00 H new ATOM 641 N GLY A 46 5.357 4.999 6.476 1.00 0.00 N ATOM 642 CA GLY A 46 5.657 3.920 7.403 1.00 0.00 C ATOM 643 C GLY A 46 5.462 2.571 6.724 1.00 0.00 C ATOM 644 O GLY A 46 4.347 2.272 6.286 1.00 0.00 O ATOM 0 H GLY A 46 4.367 5.241 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.684 4.011 7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.010 3.992 8.277 1.00 0.00 H new ATOM 648 N GLN A 47 6.511 1.743 6.686 1.00 0.00 N ATOM 649 CA GLN A 47 6.475 0.359 6.217 1.00 0.00 C ATOM 650 C GLN A 47 5.286 -0.408 6.815 1.00 0.00 C ATOM 651 O GLN A 47 4.639 -1.168 6.098 1.00 0.00 O ATOM 652 CB GLN A 47 7.775 -0.375 6.594 1.00 0.00 C ATOM 653 CG GLN A 47 8.915 -0.131 5.601 1.00 0.00 C ATOM 654 CD GLN A 47 10.254 -0.591 6.153 1.00 0.00 C ATOM 655 OE1 GLN A 47 11.128 0.204 6.486 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.489 -1.882 6.263 1.00 0.00 N ATOM 0 H GLN A 47 7.440 2.031 6.992 1.00 0.00 H new ATOM 0 HA GLN A 47 6.367 0.392 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.091 -0.054 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.576 -1.445 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.705 -0.658 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.967 0.931 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.773 -2.556 5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.387 -2.208 6.621 1.00 0.00 H new ATOM 665 N ARG A 48 4.996 -0.235 8.117 1.00 0.00 N ATOM 666 CA ARG A 48 3.916 -0.962 8.789 1.00 0.00 C ATOM 667 C ARG A 48 2.596 -0.746 8.066 1.00 0.00 C ATOM 668 O ARG A 48 1.886 -1.711 7.838 1.00 0.00 O ATOM 669 CB ARG A 48 3.791 -0.578 10.277 1.00 0.00 C ATOM 670 CG ARG A 48 2.822 -1.516 11.025 1.00 0.00 C ATOM 671 CD ARG A 48 2.804 -1.264 12.540 1.00 0.00 C ATOM 672 NE ARG A 48 1.862 -2.169 13.225 1.00 0.00 N ATOM 673 CZ ARG A 48 1.388 -2.017 14.468 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.860 -1.078 15.285 1.00 0.00 N ATOM 675 NH2 ARG A 48 0.425 -2.819 14.888 1.00 0.00 N ATOM 0 H ARG A 48 5.502 0.409 8.725 1.00 0.00 H new ATOM 0 HA ARG A 48 4.169 -2.022 8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.773 -0.618 10.748 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.440 0.450 10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.816 -1.385 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.107 -2.551 10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.806 -1.404 12.946 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.523 -0.229 12.735 1.00 0.00 H new ATOM 0 HE ARG A 48 1.542 -2.986 12.704 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.601 -0.452 14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.481 -0.984 16.227 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.055 -3.540 14.268 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.052 -2.717 15.832 1.00 0.00 H new ATOM 689 N LEU A 49 2.279 0.493 7.692 1.00 0.00 N ATOM 690 CA LEU A 49 1.005 0.847 7.074 1.00 0.00 C ATOM 691 C LEU A 49 0.841 0.112 5.741 1.00 0.00 C ATOM 692 O LEU A 49 -0.213 -0.446 5.429 1.00 0.00 O ATOM 693 CB LEU A 49 0.983 2.368 6.841 1.00 0.00 C ATOM 694 CG LEU A 49 -0.408 3.022 6.857 1.00 0.00 C ATOM 695 CD1 LEU A 49 -0.274 4.406 6.211 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.544 2.205 6.238 1.00 0.00 C ATOM 0 H LEU A 49 2.908 1.287 7.812 1.00 0.00 H new ATOM 0 HA LEU A 49 0.183 0.556 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.597 2.844 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.452 2.577 5.880 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.719 3.093 7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.245 4.900 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.435 5.006 6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.083 4.297 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.476 2.767 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.318 2.003 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.649 1.262 6.775 1.00 0.00 H new ATOM 708 N PHE A 50 1.904 0.127 4.938 1.00 0.00 N ATOM 709 CA PHE A 50 1.943 -0.573 3.670 1.00 0.00 C ATOM 710 C PHE A 50 1.719 -2.076 3.884 1.00 0.00 C ATOM 711 O PHE A 50 0.937 -2.694 3.160 1.00 0.00 O ATOM 712 CB PHE A 50 3.288 -0.287 3.002 1.00 0.00 C ATOM 713 CG PHE A 50 3.576 -1.137 1.785 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.183 -0.700 0.508 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.279 -2.349 1.929 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.545 -1.441 -0.627 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.675 -3.071 0.793 1.00 0.00 C ATOM 718 CZ PHE A 50 4.322 -2.601 -0.481 1.00 0.00 C ATOM 0 H PHE A 50 2.764 0.630 5.157 1.00 0.00 H new ATOM 0 HA PHE A 50 1.144 -0.223 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.319 0.763 2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.082 -0.440 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.603 0.205 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.513 -2.723 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.227 -1.121 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.247 -3.981 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.652 -3.137 -1.359 1.00 0.00 H new ATOM 728 N GLY A 51 2.400 -2.672 4.870 1.00 0.00 N ATOM 729 CA GLY A 51 2.215 -4.079 5.182 1.00 0.00 C ATOM 730 C GLY A 51 0.782 -4.347 5.620 1.00 0.00 C ATOM 731 O GLY A 51 0.189 -5.308 5.149 1.00 0.00 O ATOM 0 H GLY A 51 3.082 -2.195 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.453 -4.685 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.904 -4.375 5.973 1.00 0.00 H new ATOM 735 N GLU A 52 0.210 -3.490 6.464 1.00 0.00 N ATOM 736 CA GLU A 52 -1.116 -3.639 7.040 1.00 0.00 C ATOM 737 C GLU A 52 -2.171 -3.763 5.939 1.00 0.00 C ATOM 738 O GLU A 52 -2.883 -4.771 5.869 1.00 0.00 O ATOM 739 CB GLU A 52 -1.425 -2.448 7.958 1.00 0.00 C ATOM 740 CG GLU A 52 -0.724 -2.520 9.319 1.00 0.00 C ATOM 741 CD GLU A 52 -1.746 -2.714 10.430 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.241 -1.698 10.966 1.00 0.00 O ATOM 743 OE2 GLU A 52 -2.032 -3.871 10.813 1.00 0.00 O ATOM 0 H GLU A 52 0.681 -2.640 6.775 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.141 -4.553 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.129 -1.527 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.502 -2.393 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.010 -3.343 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.157 -1.605 9.493 1.00 0.00 H new ATOM 750 N SER A 53 -2.273 -2.738 5.089 1.00 0.00 N ATOM 751 CA SER A 53 -3.283 -2.688 4.046 1.00 0.00 C ATOM 752 C SER A 53 -2.932 -3.671 2.931 1.00 0.00 C ATOM 753 O SER A 53 -3.724 -4.573 2.648 1.00 0.00 O ATOM 754 CB SER A 53 -3.406 -1.251 3.531 1.00 0.00 C ATOM 755 OG SER A 53 -4.247 -1.163 2.394 1.00 0.00 O ATOM 0 H SER A 53 -1.657 -1.925 5.110 1.00 0.00 H new ATOM 0 HA SER A 53 -4.252 -2.987 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.800 -0.615 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.416 -0.870 3.280 1.00 0.00 H new ATOM 0 HG SER A 53 -4.300 -0.230 2.098 1.00 0.00 H new ATOM 761 N ILE A 54 -1.796 -3.459 2.259 1.00 0.00 N ATOM 762 CA ILE A 54 -1.507 -4.114 0.996 1.00 0.00 C ATOM 763 C ILE A 54 -1.205 -5.582 1.291 1.00 0.00 C ATOM 764 O ILE A 54 -1.816 -6.477 0.712 1.00 0.00 O ATOM 765 CB ILE A 54 -0.350 -3.407 0.237 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.408 -1.862 0.217 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.277 -3.909 -1.215 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.735 -1.242 -0.230 1.00 0.00 C ATOM 0 H ILE A 54 -1.060 -2.830 2.580 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.368 -4.050 0.330 1.00 0.00 H new ATOM 0 HB ILE A 54 0.542 -3.671 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.179 -1.497 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.380 -1.498 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.538 -3.405 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.100 -4.984 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.218 -3.694 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.656 -0.155 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.964 -1.565 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.531 -1.564 0.441 1.00 0.00 H new ATOM 780 N LEU A 55 -0.245 -5.854 2.177 1.00 0.00 N ATOM 781 CA LEU A 55 0.324 -7.193 2.283 1.00 0.00 C ATOM 782 C LEU A 55 -0.434 -8.102 3.241 1.00 0.00 C ATOM 783 O LEU A 55 -0.459 -9.308 3.003 1.00 0.00 O ATOM 784 CB LEU A 55 1.817 -7.099 2.617 1.00 0.00 C ATOM 785 CG LEU A 55 2.614 -6.251 1.598 1.00 0.00 C ATOM 786 CD1 LEU A 55 4.110 -6.505 1.782 1.00 0.00 C ATOM 787 CD2 LEU A 55 2.272 -6.511 0.125 1.00 0.00 C ATOM 0 H LEU A 55 0.149 -5.171 2.824 1.00 0.00 H new ATOM 0 HA LEU A 55 0.216 -7.673 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.934 -6.667 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.239 -8.103 2.654 1.00 0.00 H new ATOM 0 HG LEU A 55 2.333 -5.219 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.672 -5.907 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.404 -6.227 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.322 -7.562 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.883 -5.869 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.472 -7.555 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.218 -6.294 -0.048 1.00 0.00 H new ATOM 799 N GLY A 56 -1.078 -7.578 4.278 1.00 0.00 N ATOM 800 CA GLY A 56 -1.584 -8.384 5.380 1.00 0.00 C ATOM 801 C GLY A 56 -0.485 -8.759 6.369 1.00 0.00 C ATOM 802 O GLY A 56 -0.554 -9.846 6.949 1.00 0.00 O ATOM 0 H GLY A 56 -1.264 -6.580 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.368 -7.834 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.041 -9.292 4.985 1.00 0.00 H new ATOM 806 N LEU A 57 0.543 -7.914 6.536 1.00 0.00 N ATOM 807 CA LEU A 57 1.682 -8.184 7.392 1.00 0.00 C ATOM 808 C LEU A 57 1.893 -7.033 8.362 1.00 0.00 C ATOM 809 O LEU A 57 1.868 -5.877 7.946 1.00 0.00 O ATOM 810 CB LEU A 57 2.916 -8.330 6.510 1.00 0.00 C ATOM 811 CG LEU A 57 2.885 -9.551 5.578 1.00 0.00 C ATOM 812 CD1 LEU A 57 4.119 -9.430 4.692 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.904 -10.896 6.312 1.00 0.00 C ATOM 0 H LEU A 57 0.596 -7.010 6.066 1.00 0.00 H new ATOM 0 HA LEU A 57 1.506 -9.096 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.025 -7.429 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.798 -8.396 7.147 1.00 0.00 H new ATOM 0 HG LEU A 57 1.950 -9.547 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.156 -10.273 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.071 -8.500 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.015 -9.430 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.880 -11.708 5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.812 -10.971 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.033 -10.967 6.964 1.00 0.00 H new ATOM 825 N THR A 58 2.179 -7.349 9.624 1.00 0.00 N ATOM 826 CA THR A 58 2.640 -6.350 10.582 1.00 0.00 C ATOM 827 C THR A 58 4.103 -6.015 10.277 1.00 0.00 C ATOM 828 O THR A 58 4.762 -6.685 9.473 1.00 0.00 O ATOM 829 CB THR A 58 2.346 -6.753 12.035 1.00 0.00 C ATOM 830 OG1 THR A 58 2.602 -5.679 12.923 1.00 0.00 O ATOM 831 CG2 THR A 58 3.180 -7.959 12.445 1.00 0.00 C ATOM 0 H THR A 58 2.099 -8.291 10.006 1.00 0.00 H new ATOM 0 HA THR A 58 2.072 -5.427 10.468 1.00 0.00 H new ATOM 0 HB THR A 58 1.290 -7.015 12.092 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.406 -5.960 13.841 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.953 -8.224 13.478 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.946 -8.801 11.794 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.239 -7.716 12.357 1.00 0.00 H new ATOM 839 N GLN A 59 4.628 -4.981 10.933 1.00 0.00 N ATOM 840 CA GLN A 59 5.932 -4.438 10.617 1.00 0.00 C ATOM 841 C GLN A 59 7.021 -5.480 10.826 1.00 0.00 C ATOM 842 O GLN A 59 7.942 -5.512 10.028 1.00 0.00 O ATOM 843 CB GLN A 59 6.229 -3.205 11.460 1.00 0.00 C ATOM 844 CG GLN A 59 7.163 -2.220 10.752 1.00 0.00 C ATOM 845 CD GLN A 59 7.590 -1.104 11.701 1.00 0.00 C ATOM 846 OE1 GLN A 59 6.828 -0.667 12.564 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.805 -0.608 11.563 1.00 0.00 N ATOM 0 H GLN A 59 4.154 -4.501 11.698 1.00 0.00 H new ATOM 0 HA GLN A 59 5.921 -4.149 9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.293 -2.702 11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.680 -3.514 12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.043 -2.747 10.383 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.660 -1.794 9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.428 -0.977 10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.121 0.145 12.174 1.00 0.00 H new ATOM 856 N GLY A 60 6.935 -6.325 11.857 1.00 0.00 N ATOM 857 CA GLY A 60 7.964 -7.323 12.118 1.00 0.00 C ATOM 858 C GLY A 60 8.178 -8.236 10.919 1.00 0.00 C ATOM 859 O GLY A 60 9.321 -8.472 10.528 1.00 0.00 O ATOM 0 H GLY A 60 6.162 -6.334 12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.900 -6.824 12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.681 -7.920 12.985 1.00 0.00 H new ATOM 863 N SER A 61 7.081 -8.711 10.327 1.00 0.00 N ATOM 864 CA SER A 61 7.116 -9.513 9.121 1.00 0.00 C ATOM 865 C SER A 61 7.628 -8.683 7.938 1.00 0.00 C ATOM 866 O SER A 61 8.463 -9.158 7.165 1.00 0.00 O ATOM 867 CB SER A 61 5.715 -10.065 8.837 1.00 0.00 C ATOM 868 OG SER A 61 5.088 -10.609 9.986 1.00 0.00 O ATOM 0 H SER A 61 6.139 -8.544 10.681 1.00 0.00 H new ATOM 0 HA SER A 61 7.803 -10.348 9.262 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.092 -9.267 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.783 -10.835 8.069 1.00 0.00 H new ATOM 0 HG SER A 61 4.199 -10.944 9.746 1.00 0.00 H new ATOM 874 N VAL A 62 7.120 -7.455 7.769 1.00 0.00 N ATOM 875 CA VAL A 62 7.343 -6.663 6.563 1.00 0.00 C ATOM 876 C VAL A 62 8.752 -6.046 6.522 1.00 0.00 C ATOM 877 O VAL A 62 9.322 -5.942 5.437 1.00 0.00 O ATOM 878 CB VAL A 62 6.180 -5.649 6.390 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.552 -4.183 6.654 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.588 -5.750 4.992 1.00 0.00 C ATOM 0 H VAL A 62 6.543 -6.987 8.468 1.00 0.00 H new ATOM 0 HA VAL A 62 7.325 -7.313 5.688 1.00 0.00 H new ATOM 0 HB VAL A 62 5.456 -5.932 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.675 -3.553 6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.908 -4.077 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.338 -3.877 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.774 -5.032 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.360 -5.533 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.205 -6.758 4.831 1.00 0.00 H new ATOM 890 N SER A 63 9.334 -5.651 7.664 1.00 0.00 N ATOM 891 CA SER A 63 10.691 -5.133 7.749 1.00 0.00 C ATOM 892 C SER A 63 11.631 -6.174 7.169 1.00 0.00 C ATOM 893 O SER A 63 12.348 -5.871 6.223 1.00 0.00 O ATOM 894 CB SER A 63 11.075 -4.798 9.195 1.00 0.00 C ATOM 895 OG SER A 63 10.260 -3.786 9.754 1.00 0.00 O ATOM 0 H SER A 63 8.859 -5.687 8.566 1.00 0.00 H new ATOM 0 HA SER A 63 10.762 -4.205 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.000 -5.698 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.117 -4.479 9.226 1.00 0.00 H new ATOM 0 HG SER A 63 9.422 -4.181 10.074 1.00 0.00 H new ATOM 901 N ASP A 64 11.563 -7.391 7.707 1.00 0.00 N ATOM 902 CA ASP A 64 12.279 -8.593 7.298 1.00 0.00 C ATOM 903 C ASP A 64 11.977 -8.882 5.826 1.00 0.00 C ATOM 904 O ASP A 64 12.911 -9.010 5.045 1.00 0.00 O ATOM 905 CB ASP A 64 11.810 -9.704 8.249 1.00 0.00 C ATOM 906 CG ASP A 64 12.690 -10.944 8.380 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.845 -11.007 7.923 1.00 0.00 O ATOM 908 OD2 ASP A 64 12.218 -11.866 9.090 1.00 0.00 O ATOM 0 H ASP A 64 10.955 -7.574 8.505 1.00 0.00 H new ATOM 0 HA ASP A 64 13.363 -8.497 7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.694 -9.269 9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.821 -10.027 7.925 1.00 0.00 H new ATOM 913 N LEU A 65 10.705 -8.870 5.389 1.00 0.00 N ATOM 914 CA LEU A 65 10.349 -9.141 3.997 1.00 0.00 C ATOM 915 C LEU A 65 11.092 -8.240 3.014 1.00 0.00 C ATOM 916 O LEU A 65 11.549 -8.715 1.977 1.00 0.00 O ATOM 917 CB LEU A 65 8.834 -8.994 3.771 1.00 0.00 C ATOM 918 CG LEU A 65 8.383 -9.864 2.589 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.240 -11.309 3.066 1.00 0.00 C ATOM 920 CD2 LEU A 65 7.057 -9.387 2.001 1.00 0.00 C ATOM 0 H LEU A 65 9.905 -8.673 5.991 1.00 0.00 H new ATOM 0 HA LEU A 65 10.650 -10.171 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.295 -9.286 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.588 -7.950 3.577 1.00 0.00 H new ATOM 0 HG LEU A 65 9.136 -9.789 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.920 -11.937 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.200 -11.665 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.498 -11.357 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.776 -10.031 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.283 -9.428 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.164 -8.362 1.647 1.00 0.00 H new ATOM 932 N LEU A 66 11.176 -6.948 3.325 1.00 0.00 N ATOM 933 CA LEU A 66 11.781 -5.928 2.473 1.00 0.00 C ATOM 934 C LEU A 66 13.292 -5.842 2.666 1.00 0.00 C ATOM 935 O LEU A 66 14.019 -5.400 1.777 1.00 0.00 O ATOM 936 CB LEU A 66 11.147 -4.582 2.840 1.00 0.00 C ATOM 937 CG LEU A 66 9.641 -4.519 2.550 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.053 -3.284 3.220 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.403 -4.509 1.043 1.00 0.00 C ATOM 0 H LEU A 66 10.815 -6.572 4.202 1.00 0.00 H new ATOM 0 HA LEU A 66 11.603 -6.188 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.314 -4.387 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.650 -3.789 2.286 1.00 0.00 H new ATOM 0 HG LEU A 66 9.143 -5.399 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.983 -3.235 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.216 -3.342 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.539 -2.391 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.332 -4.464 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.890 -3.639 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.816 -5.417 0.603 1.00 0.00 H new ATOM 951 N SER A 67 13.740 -6.224 3.854 1.00 0.00 N ATOM 952 CA SER A 67 15.128 -6.308 4.276 1.00 0.00 C ATOM 953 C SER A 67 15.816 -7.416 3.494 1.00 0.00 C ATOM 954 O SER A 67 16.911 -7.188 2.978 1.00 0.00 O ATOM 955 CB SER A 67 15.196 -6.571 5.794 1.00 0.00 C ATOM 956 OG SER A 67 16.495 -6.854 6.273 1.00 0.00 O ATOM 0 H SER A 67 13.099 -6.502 4.597 1.00 0.00 H new ATOM 0 HA SER A 67 15.641 -5.367 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.808 -5.699 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.541 -7.408 6.037 1.00 0.00 H new ATOM 0 HG SER A 67 16.461 -7.008 7.240 1.00 0.00 H new ATOM 962 N ARG A 68 15.217 -8.607 3.432 1.00 0.00 N ATOM 963 CA ARG A 68 15.879 -9.831 2.994 1.00 0.00 C ATOM 964 C ARG A 68 14.929 -10.709 2.158 1.00 0.00 C ATOM 965 O ARG A 68 14.671 -11.863 2.515 1.00 0.00 O ATOM 966 CB ARG A 68 16.450 -10.516 4.247 1.00 0.00 C ATOM 967 CG ARG A 68 15.402 -11.007 5.255 1.00 0.00 C ATOM 968 CD ARG A 68 15.488 -12.500 5.547 1.00 0.00 C ATOM 969 NE ARG A 68 16.789 -12.903 6.096 1.00 0.00 N ATOM 970 CZ ARG A 68 17.160 -12.799 7.371 1.00 0.00 C ATOM 971 NH1 ARG A 68 16.408 -12.147 8.255 1.00 0.00 N ATOM 972 NH2 ARG A 68 18.291 -13.379 7.748 1.00 0.00 N ATOM 0 H ARG A 68 14.240 -8.747 3.690 1.00 0.00 H new ATOM 0 HA ARG A 68 16.707 -9.622 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.056 -11.366 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.118 -9.818 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.521 -10.456 6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.407 -10.777 4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.702 -12.773 6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.299 -13.056 4.628 1.00 0.00 H new ATOM 0 HE ARG A 68 17.468 -13.297 5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.531 -11.717 7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.708 -12.078 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.854 -13.889 7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.598 -13.315 8.718 1.00 0.00 H new ATOM 986 N PRO A 69 14.370 -10.181 1.054 1.00 0.00 N ATOM 987 CA PRO A 69 13.349 -10.871 0.277 1.00 0.00 C ATOM 988 C PRO A 69 13.928 -12.145 -0.337 1.00 0.00 C ATOM 989 O PRO A 69 14.824 -12.083 -1.179 1.00 0.00 O ATOM 990 CB PRO A 69 12.896 -9.885 -0.799 1.00 0.00 C ATOM 991 CG PRO A 69 14.125 -9.003 -0.975 1.00 0.00 C ATOM 992 CD PRO A 69 14.710 -8.914 0.427 1.00 0.00 C ATOM 0 HA PRO A 69 12.505 -11.178 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.624 -10.391 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.026 -9.310 -0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.834 -9.440 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.859 -8.019 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.789 -8.765 0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.288 -8.074 0.979 1.00 0.00 H new ATOM 1000 N LYS A 70 13.426 -13.309 0.075 1.00 0.00 N ATOM 1001 CA LYS A 70 13.826 -14.572 -0.528 1.00 0.00 C ATOM 1002 C LYS A 70 13.423 -14.602 -2.010 1.00 0.00 C ATOM 1003 O LYS A 70 12.547 -13.839 -2.436 1.00 0.00 O ATOM 1004 CB LYS A 70 13.254 -15.727 0.311 1.00 0.00 C ATOM 1005 CG LYS A 70 14.275 -16.021 1.422 1.00 0.00 C ATOM 1006 CD LYS A 70 13.890 -17.147 2.380 1.00 0.00 C ATOM 1007 CE LYS A 70 12.728 -16.754 3.293 1.00 0.00 C ATOM 1008 NZ LYS A 70 12.797 -17.457 4.590 1.00 0.00 N ATOM 0 H LYS A 70 12.741 -13.399 0.825 1.00 0.00 H new ATOM 0 HA LYS A 70 14.910 -14.688 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.288 -15.454 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.091 -16.610 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.230 -16.271 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.430 -15.111 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.616 -18.033 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.754 -17.416 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.744 -15.677 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.783 -16.987 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.994 -17.168 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.757 -18.484 4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.688 -17.215 5.069 1.00 0.00 H new ATOM 1022 N PRO A 71 14.071 -15.461 -2.808 1.00 0.00 N ATOM 1023 CA PRO A 71 13.915 -15.433 -4.252 1.00 0.00 C ATOM 1024 C PRO A 71 12.540 -15.968 -4.643 1.00 0.00 C ATOM 1025 O PRO A 71 11.902 -16.716 -3.889 1.00 0.00 O ATOM 1026 CB PRO A 71 15.041 -16.308 -4.808 1.00 0.00 C ATOM 1027 CG PRO A 71 15.355 -17.263 -3.675 1.00 0.00 C ATOM 1028 CD PRO A 71 15.069 -16.445 -2.416 1.00 0.00 C ATOM 0 HA PRO A 71 13.977 -14.422 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.726 -16.842 -5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.912 -15.712 -5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.732 -18.156 -3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.393 -17.596 -3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.698 -17.080 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.974 -15.961 -2.049 1.00 0.00 H new ATOM 1036 N TRP A 72 12.099 -15.644 -5.856 1.00 0.00 N ATOM 1037 CA TRP A 72 10.813 -16.096 -6.364 1.00 0.00 C ATOM 1038 C TRP A 72 10.751 -17.633 -6.411 1.00 0.00 C ATOM 1039 O TRP A 72 9.704 -18.190 -6.086 1.00 0.00 O ATOM 1040 CB TRP A 72 10.531 -15.419 -7.712 1.00 0.00 C ATOM 1041 CG TRP A 72 9.177 -15.669 -8.303 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.923 -16.662 -9.177 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.932 -14.898 -8.218 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.643 -16.552 -9.665 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.981 -15.494 -9.102 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.516 -13.724 -7.551 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.694 -14.984 -9.301 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.220 -13.199 -7.740 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.310 -13.837 -8.600 1.00 0.00 C ATOM 0 H TRP A 72 12.623 -15.063 -6.510 1.00 0.00 H new ATOM 0 HA TRP A 72 10.014 -15.797 -5.686 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.659 -14.343 -7.590 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.284 -15.750 -8.427 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.625 -17.434 -9.455 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.237 -17.180 -10.359 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.201 -13.220 -6.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.010 -15.467 -9.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.925 -12.300 -7.220 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.312 -13.441 -8.720 1.00 0.00 H new ATOM 1060 N HIS A 73 11.850 -18.351 -6.694 1.00 0.00 N ATOM 1061 CA HIS A 73 11.841 -19.823 -6.690 1.00 0.00 C ATOM 1062 C HIS A 73 11.667 -20.449 -5.289 1.00 0.00 C ATOM 1063 O HIS A 73 11.270 -21.616 -5.178 1.00 0.00 O ATOM 1064 CB HIS A 73 13.101 -20.377 -7.375 1.00 0.00 C ATOM 1065 CG HIS A 73 14.360 -20.334 -6.547 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.363 -19.400 -6.638 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.753 -21.268 -5.626 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.335 -19.757 -5.786 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.998 -20.882 -5.126 1.00 0.00 N ATOM 0 H HIS A 73 12.753 -17.938 -6.928 1.00 0.00 H new ATOM 0 HA HIS A 73 10.958 -20.113 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.912 -21.411 -7.664 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.271 -19.815 -8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.198 -22.148 -5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.260 -19.217 -5.648 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.543 -21.356 -4.406 1.00 0.00 H new ATOM 1077 N LYS A 74 11.985 -19.707 -4.220 1.00 0.00 N ATOM 1078 CA LYS A 74 11.814 -20.136 -2.825 1.00 0.00 C ATOM 1079 C LYS A 74 10.398 -19.851 -2.357 1.00 0.00 C ATOM 1080 O LYS A 74 9.796 -20.650 -1.622 1.00 0.00 O ATOM 1081 CB LYS A 74 12.808 -19.367 -1.938 1.00 0.00 C ATOM 1082 CG LYS A 74 14.204 -19.997 -1.968 1.00 0.00 C ATOM 1083 CD LYS A 74 14.371 -21.027 -0.853 1.00 0.00 C ATOM 1084 CE LYS A 74 15.671 -21.778 -1.115 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.039 -22.715 -0.041 1.00 0.00 N ATOM 0 H LYS A 74 12.378 -18.769 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 74 12.000 -21.208 -2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.869 -18.332 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.440 -19.348 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.370 -20.474 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.959 -19.218 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.401 -20.537 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.526 -21.716 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.580 -22.329 -2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.477 -21.056 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.931 -23.190 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.158 -22.192 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.288 -23.426 0.072 1.00 0.00 H new ATOM 1099 N LEU A 75 9.864 -18.701 -2.738 1.00 0.00 N ATOM 1100 CA LEU A 75 8.558 -18.246 -2.307 1.00 0.00 C ATOM 1101 C LEU A 75 7.528 -19.030 -3.107 1.00 0.00 C ATOM 1102 O LEU A 75 7.545 -19.001 -4.330 1.00 0.00 O ATOM 1103 CB LEU A 75 8.441 -16.741 -2.568 1.00 0.00 C ATOM 1104 CG LEU A 75 9.330 -15.881 -1.648 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.312 -14.454 -2.176 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.886 -15.859 -0.179 1.00 0.00 C ATOM 0 H LEU A 75 10.336 -18.050 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 75 8.399 -18.410 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.706 -16.540 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.402 -16.439 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 75 10.324 -16.328 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.935 -13.823 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.699 -14.438 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.289 -14.077 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.566 -15.231 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.875 -15.457 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.901 -16.873 0.221 1.00 0.00 H new ATOM 1118 N SER A 76 6.654 -19.757 -2.424 1.00 0.00 N ATOM 1119 CA SER A 76 5.526 -20.455 -3.050 1.00 0.00 C ATOM 1120 C SER A 76 4.430 -19.434 -3.415 1.00 0.00 C ATOM 1121 O SER A 76 4.635 -18.251 -3.175 1.00 0.00 O ATOM 1122 CB SER A 76 5.011 -21.511 -2.071 1.00 0.00 C ATOM 1123 OG SER A 76 6.082 -22.237 -1.480 1.00 0.00 O ATOM 0 H SER A 76 6.703 -19.883 -1.413 1.00 0.00 H new ATOM 0 HA SER A 76 5.835 -20.951 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.422 -21.029 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.347 -22.200 -2.593 1.00 0.00 H new ATOM 0 HG SER A 76 5.722 -22.903 -0.858 1.00 0.00 H new ATOM 1129 N LEU A 77 3.239 -19.825 -3.893 1.00 0.00 N ATOM 1130 CA LEU A 77 2.118 -18.889 -4.127 1.00 0.00 C ATOM 1131 C LEU A 77 1.876 -17.998 -2.896 1.00 0.00 C ATOM 1132 O LEU A 77 1.983 -16.776 -2.975 1.00 0.00 O ATOM 1133 CB LEU A 77 0.830 -19.622 -4.540 1.00 0.00 C ATOM 1134 CG LEU A 77 0.924 -20.434 -5.847 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.437 -21.066 -6.135 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.333 -19.591 -7.060 1.00 0.00 C ATOM 0 H LEU A 77 3.022 -20.793 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 77 2.404 -18.248 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.540 -20.295 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.031 -18.888 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 77 1.700 -21.185 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.382 -21.643 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.714 -21.724 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.187 -20.282 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.380 -20.226 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.599 -18.801 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.312 -19.146 -6.881 1.00 0.00 H new ATOM 1148 N LYS A 78 1.685 -18.608 -1.724 1.00 0.00 N ATOM 1149 CA LYS A 78 1.624 -17.967 -0.405 1.00 0.00 C ATOM 1150 C LYS A 78 2.823 -17.072 -0.065 1.00 0.00 C ATOM 1151 O LYS A 78 2.793 -16.286 0.883 1.00 0.00 O ATOM 1152 CB LYS A 78 1.416 -19.002 0.712 1.00 0.00 C ATOM 1153 CG LYS A 78 2.230 -20.301 0.642 1.00 0.00 C ATOM 1154 CD LYS A 78 1.625 -21.361 -0.294 1.00 0.00 C ATOM 1155 CE LYS A 78 2.165 -22.775 -0.031 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.657 -23.382 1.217 1.00 0.00 N ATOM 0 H LYS A 78 1.562 -19.619 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 78 0.760 -17.305 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.638 -18.518 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.359 -19.269 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.241 -20.068 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.315 -20.720 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.541 -21.365 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.833 -21.085 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.901 -23.417 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.254 -22.737 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.021 -24.352 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.974 -22.818 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.617 -23.404 1.194 1.00 0.00 H new ATOM 1170 N GLY A 79 3.943 -17.271 -0.740 1.00 0.00 N ATOM 1171 CA GLY A 79 5.169 -16.491 -0.649 1.00 0.00 C ATOM 1172 C GLY A 79 5.196 -15.311 -1.604 1.00 0.00 C ATOM 1173 O GLY A 79 5.767 -14.272 -1.280 1.00 0.00 O ATOM 0 H GLY A 79 4.027 -18.034 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.286 -16.127 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.021 -17.139 -0.857 1.00 0.00 H new ATOM 1177 N ARG A 80 4.615 -15.479 -2.784 1.00 0.00 N ATOM 1178 CA ARG A 80 4.659 -14.535 -3.891 1.00 0.00 C ATOM 1179 C ARG A 80 3.499 -13.552 -3.794 1.00 0.00 C ATOM 1180 O ARG A 80 3.652 -12.423 -4.240 1.00 0.00 O ATOM 1181 CB ARG A 80 4.582 -15.339 -5.192 1.00 0.00 C ATOM 1182 CG ARG A 80 5.800 -16.248 -5.403 1.00 0.00 C ATOM 1183 CD ARG A 80 5.475 -17.291 -6.490 1.00 0.00 C ATOM 1184 NE ARG A 80 6.624 -18.166 -6.755 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.877 -18.903 -7.842 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.971 -19.049 -8.802 1.00 0.00 N ATOM 1187 NH2 ARG A 80 8.061 -19.498 -7.939 1.00 0.00 N ATOM 0 H ARG A 80 4.075 -16.316 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 80 5.582 -13.956 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.678 -15.947 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.497 -14.652 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.664 -15.654 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.061 -16.747 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.623 -17.893 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.184 -16.782 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 80 7.321 -18.219 -6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.062 -18.595 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.185 -19.616 -9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.750 -19.387 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.281 -20.066 -8.757 1.00 0.00 H new ATOM 1201 N GLU A 81 2.413 -13.938 -3.120 1.00 0.00 N ATOM 1202 CA GLU A 81 1.232 -13.150 -2.792 1.00 0.00 C ATOM 1203 C GLU A 81 1.588 -11.687 -2.507 1.00 0.00 C ATOM 1204 O GLU A 81 1.112 -10.816 -3.246 1.00 0.00 O ATOM 1205 CB GLU A 81 0.505 -13.816 -1.600 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.777 -14.560 -1.980 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.229 -15.577 -0.915 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -0.829 -15.461 0.268 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.983 -16.512 -1.241 1.00 0.00 O ATOM 0 H GLU A 81 2.335 -14.890 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 81 0.560 -13.131 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.188 -14.516 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.262 -13.050 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.575 -13.835 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.621 -15.079 -2.925 1.00 0.00 H new ATOM 1216 N PRO A 82 2.442 -11.380 -1.514 1.00 0.00 N ATOM 1217 CA PRO A 82 2.746 -10.000 -1.205 1.00 0.00 C ATOM 1218 C PRO A 82 3.488 -9.328 -2.361 1.00 0.00 C ATOM 1219 O PRO A 82 3.132 -8.219 -2.733 1.00 0.00 O ATOM 1220 CB PRO A 82 3.536 -10.017 0.106 1.00 0.00 C ATOM 1221 CG PRO A 82 4.096 -11.433 0.212 1.00 0.00 C ATOM 1222 CD PRO A 82 3.085 -12.278 -0.553 1.00 0.00 C ATOM 0 HA PRO A 82 1.845 -9.401 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.336 -9.276 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.895 -9.781 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.091 -11.504 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.182 -11.753 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.577 -13.106 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.350 -12.713 0.124 1.00 0.00 H new ATOM 1230 N PHE A 83 4.494 -9.969 -2.957 1.00 0.00 N ATOM 1231 CA PHE A 83 5.319 -9.377 -4.012 1.00 0.00 C ATOM 1232 C PHE A 83 4.513 -9.040 -5.267 1.00 0.00 C ATOM 1233 O PHE A 83 4.795 -8.030 -5.909 1.00 0.00 O ATOM 1234 CB PHE A 83 6.497 -10.300 -4.354 1.00 0.00 C ATOM 1235 CG PHE A 83 7.461 -10.482 -3.203 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.186 -11.401 -2.174 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.622 -9.694 -3.144 1.00 0.00 C ATOM 1238 CE1 PHE A 83 8.042 -11.500 -1.064 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.495 -9.827 -2.057 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.200 -10.705 -1.005 1.00 0.00 C ATOM 0 H PHE A 83 4.762 -10.924 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 83 5.707 -8.435 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.112 -11.274 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.035 -9.891 -5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.313 -12.033 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.840 -8.989 -3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.811 -12.183 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.405 -9.247 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.860 -10.771 -0.152 1.00 0.00 H new ATOM 1250 N VAL A 84 3.494 -9.830 -5.599 1.00 0.00 N ATOM 1251 CA VAL A 84 2.575 -9.498 -6.682 1.00 0.00 C ATOM 1252 C VAL A 84 1.764 -8.269 -6.283 1.00 0.00 C ATOM 1253 O VAL A 84 1.716 -7.300 -7.040 1.00 0.00 O ATOM 1254 CB VAL A 84 1.707 -10.720 -7.016 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.677 -10.442 -8.117 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.630 -11.855 -7.478 1.00 0.00 C ATOM 0 H VAL A 84 3.284 -10.710 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 84 3.116 -9.246 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 84 1.152 -10.986 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.095 -11.344 -8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.010 -9.641 -7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.192 -10.143 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.033 -12.734 -7.721 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.183 -11.537 -8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.331 -12.102 -6.680 1.00 0.00 H new ATOM 1266 N ARG A 85 1.166 -8.265 -5.085 1.00 0.00 N ATOM 1267 CA ARG A 85 0.419 -7.098 -4.625 1.00 0.00 C ATOM 1268 C ARG A 85 1.297 -5.848 -4.616 1.00 0.00 C ATOM 1269 O ARG A 85 0.790 -4.787 -4.967 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.192 -7.340 -3.244 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.366 -8.328 -3.267 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.895 -8.461 -1.839 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.200 -9.132 -1.743 1.00 0.00 N ATOM 1274 CZ ARG A 85 -3.849 -9.316 -0.585 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -3.387 -8.786 0.542 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -4.965 -10.027 -0.548 1.00 0.00 N ATOM 0 H ARG A 85 1.186 -9.046 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.396 -6.933 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.580 -7.718 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.533 -6.390 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.152 -7.972 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.042 -9.297 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.169 -9.015 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.976 -7.467 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.633 -9.475 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.530 -8.233 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.889 -8.932 1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.336 -10.439 -1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.454 -10.163 0.337 1.00 0.00 H new ATOM 1290 N MET A 86 2.584 -5.952 -4.267 1.00 0.00 N ATOM 1291 CA MET A 86 3.552 -4.875 -4.347 1.00 0.00 C ATOM 1292 C MET A 86 3.718 -4.407 -5.783 1.00 0.00 C ATOM 1293 O MET A 86 3.596 -3.211 -6.029 1.00 0.00 O ATOM 1294 CB MET A 86 4.911 -5.329 -3.801 1.00 0.00 C ATOM 1295 CG MET A 86 4.880 -5.552 -2.291 1.00 0.00 C ATOM 1296 SD MET A 86 6.442 -5.290 -1.420 1.00 0.00 S ATOM 1297 CE MET A 86 7.106 -6.935 -1.645 1.00 0.00 C ATOM 0 H MET A 86 2.984 -6.820 -3.911 1.00 0.00 H new ATOM 0 HA MET A 86 3.180 -4.048 -3.742 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.210 -6.252 -4.297 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.666 -4.580 -4.041 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.131 -4.887 -1.861 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.547 -6.573 -2.101 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.933 -7.091 -0.953 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.326 -7.672 -1.451 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.464 -7.046 -2.669 1.00 0.00 H new ATOM 1307 N GLN A 87 4.018 -5.319 -6.715 1.00 0.00 N ATOM 1308 CA GLN A 87 4.271 -4.957 -8.100 1.00 0.00 C ATOM 1309 C GLN A 87 3.085 -4.160 -8.662 1.00 0.00 C ATOM 1310 O GLN A 87 3.268 -3.099 -9.247 1.00 0.00 O ATOM 1311 CB GLN A 87 4.565 -6.195 -8.949 1.00 0.00 C ATOM 1312 CG GLN A 87 5.113 -5.800 -10.332 1.00 0.00 C ATOM 1313 CD GLN A 87 6.554 -5.274 -10.277 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.876 -4.249 -9.687 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.473 -6.012 -10.866 1.00 0.00 N ATOM 0 H GLN A 87 4.090 -6.319 -6.525 1.00 0.00 H new ATOM 0 HA GLN A 87 5.157 -4.323 -8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.288 -6.829 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.655 -6.782 -9.069 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.073 -6.665 -10.994 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.469 -5.036 -10.767 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.205 -6.865 -11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.453 -5.730 -10.831 1.00 0.00 H new ATOM 1324 N LEU A 88 1.857 -4.658 -8.478 1.00 0.00 N ATOM 1325 CA LEU A 88 0.694 -3.983 -9.042 1.00 0.00 C ATOM 1326 C LEU A 88 0.273 -2.767 -8.207 1.00 0.00 C ATOM 1327 O LEU A 88 -0.347 -1.860 -8.763 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.484 -4.950 -9.244 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.335 -6.051 -10.320 1.00 0.00 C ATOM 1330 CD1 LEU A 88 0.435 -5.617 -11.573 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.309 -7.331 -9.789 1.00 0.00 C ATOM 0 H LEU A 88 1.650 -5.508 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 88 0.992 -3.616 -10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.684 -5.438 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.365 -4.358 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.369 -6.248 -10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.491 -6.451 -12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.080 -4.781 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.443 -5.310 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.384 -8.062 -10.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.306 -7.106 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.302 -7.739 -8.984 1.00 0.00 H new ATOM 1343 N TRP A 89 0.593 -2.687 -6.907 1.00 0.00 N ATOM 1344 CA TRP A 89 0.433 -1.454 -6.127 1.00 0.00 C ATOM 1345 C TRP A 89 1.304 -0.362 -6.747 1.00 0.00 C ATOM 1346 O TRP A 89 0.845 0.757 -6.934 1.00 0.00 O ATOM 1347 CB TRP A 89 0.781 -1.679 -4.651 1.00 0.00 C ATOM 1348 CG TRP A 89 0.659 -0.484 -3.759 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.447 -0.122 -3.075 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.671 0.507 -3.419 1.00 0.00 C ATOM 1351 NE1 TRP A 89 -0.191 1.021 -2.349 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.113 1.433 -2.491 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.012 0.708 -3.797 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 1.855 2.486 -1.940 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 3.766 1.767 -3.264 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.199 2.644 -2.321 1.00 0.00 C ATOM 0 H TRP A 89 0.967 -3.470 -6.371 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.610 -1.140 -6.157 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.135 -2.466 -4.262 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.805 -2.049 -4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.390 -0.648 -3.094 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.884 1.503 -1.776 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.469 0.037 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.402 3.166 -1.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.789 1.909 -3.581 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.794 3.436 -1.891 1.00 0.00 H new ATOM 1367 N LEU A 90 2.543 -0.690 -7.122 1.00 0.00 N ATOM 1368 CA LEU A 90 3.470 0.254 -7.739 1.00 0.00 C ATOM 1369 C LEU A 90 2.994 0.754 -9.107 1.00 0.00 C ATOM 1370 O LEU A 90 3.455 1.805 -9.544 1.00 0.00 O ATOM 1371 CB LEU A 90 4.843 -0.405 -7.907 1.00 0.00 C ATOM 1372 CG LEU A 90 5.618 -0.587 -6.596 1.00 0.00 C ATOM 1373 CD1 LEU A 90 6.738 -1.611 -6.828 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.123 0.766 -6.089 1.00 0.00 C ATOM 0 H LEU A 90 2.931 -1.626 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 90 3.527 1.115 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.711 -1.380 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.442 0.198 -8.589 1.00 0.00 H new ATOM 0 HG LEU A 90 4.972 -0.978 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.299 -1.752 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.304 -2.562 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.408 -1.247 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.672 0.624 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.782 1.211 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.275 1.428 -5.913 1.00 0.00 H new ATOM 1386 N ASN A 91 2.118 0.009 -9.791 1.00 0.00 N ATOM 1387 CA ASN A 91 1.564 0.398 -11.089 1.00 0.00 C ATOM 1388 C ASN A 91 0.327 1.279 -10.960 1.00 0.00 C ATOM 1389 O ASN A 91 -0.132 1.842 -11.959 1.00 0.00 O ATOM 1390 CB ASN A 91 1.134 -0.833 -11.898 1.00 0.00 C ATOM 1391 CG ASN A 91 2.260 -1.683 -12.460 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.436 -1.320 -12.447 1.00 0.00 O ATOM 1393 ND2 ASN A 91 1.902 -2.821 -13.022 1.00 0.00 N ATOM 0 H ASN A 91 1.772 -0.889 -9.454 1.00 0.00 H new ATOM 0 HA ASN A 91 2.363 0.947 -11.587 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.512 -1.463 -11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.508 -0.499 -12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.605 -3.419 -13.457 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.922 -3.104 -13.022 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.275 1.346 -9.773 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.507 2.104 -9.589 1.00 0.00 C ATOM 1402 C ASP A 92 -1.189 3.598 -9.624 1.00 0.00 C ATOM 1403 O ASP A 92 -0.076 3.987 -9.269 1.00 0.00 O ATOM 1404 CB ASP A 92 -2.204 1.691 -8.290 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.535 0.999 -8.527 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.618 0.104 -9.401 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.470 1.243 -7.739 1.00 0.00 O ATOM 0 H ASP A 92 0.070 0.887 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.201 1.886 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.549 1.025 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.365 2.575 -7.673 1.00 0.00 H new ATOM 1412 N PRO A 93 -2.127 4.453 -10.061 1.00 0.00 N ATOM 1413 CA PRO A 93 -1.860 5.876 -10.205 1.00 0.00 C ATOM 1414 C PRO A 93 -1.922 6.582 -8.846 1.00 0.00 C ATOM 1415 O PRO A 93 -1.015 7.338 -8.505 1.00 0.00 O ATOM 1416 CB PRO A 93 -2.907 6.384 -11.198 1.00 0.00 C ATOM 1417 CG PRO A 93 -4.068 5.399 -11.072 1.00 0.00 C ATOM 1418 CD PRO A 93 -3.477 4.126 -10.492 1.00 0.00 C ATOM 0 HA PRO A 93 -0.856 6.081 -10.577 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.221 7.400 -10.958 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.513 6.404 -12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.849 5.797 -10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.526 5.209 -12.043 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.075 3.768 -9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.464 3.331 -11.237 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.964 6.335 -8.049 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.177 7.000 -6.762 1.00 0.00 C ATOM 1428 C HIS A 94 -2.633 6.158 -5.600 1.00 0.00 C ATOM 1429 O HIS A 94 -3.037 6.356 -4.458 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.670 7.311 -6.579 1.00 0.00 C ATOM 1431 CG HIS A 94 -5.272 8.052 -7.746 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.234 9.411 -7.955 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.913 7.489 -8.814 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.828 9.662 -9.133 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.271 8.520 -9.683 1.00 0.00 N ATOM 0 H HIS A 94 -3.692 5.660 -8.282 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.623 7.939 -6.759 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.213 6.378 -6.431 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.802 7.904 -5.674 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -6.107 6.437 -8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.934 10.642 -9.575 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -6.773 8.425 -10.566 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.749 5.195 -5.872 1.00 0.00 N ATOM 1444 CA ASN A 95 -1.245 4.228 -4.901 1.00 0.00 C ATOM 1445 C ASN A 95 -0.700 4.896 -3.640 1.00 0.00 C ATOM 1446 O ASN A 95 -1.140 4.530 -2.546 1.00 0.00 O ATOM 1447 CB ASN A 95 -0.184 3.310 -5.536 1.00 0.00 C ATOM 1448 CG ASN A 95 1.091 4.037 -5.960 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.032 5.126 -6.522 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.257 3.507 -5.643 1.00 0.00 N ATOM 0 H ASN A 95 -1.354 5.065 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.095 3.617 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.076 2.526 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.617 2.819 -6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.120 4.003 -5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.295 2.601 -5.176 1.00 0.00 H new ATOM 1457 N VAL A 96 0.232 5.844 -3.768 1.00 0.00 N ATOM 1458 CA VAL A 96 0.824 6.530 -2.647 1.00 0.00 C ATOM 1459 C VAL A 96 -0.238 7.400 -1.976 1.00 0.00 C ATOM 1460 O VAL A 96 -0.413 7.284 -0.770 1.00 0.00 O ATOM 1461 CB VAL A 96 2.039 7.348 -3.114 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.820 7.793 -1.891 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.033 6.556 -3.971 1.00 0.00 C ATOM 0 H VAL A 96 0.593 6.151 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 96 1.186 5.813 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 96 1.635 8.166 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.686 8.375 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.182 8.406 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.154 6.918 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.861 7.203 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.416 5.712 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.530 6.189 -4.866 1.00 0.00 H new ATOM 1473 N GLU A 97 -0.983 8.210 -2.734 1.00 0.00 N ATOM 1474 CA GLU A 97 -1.961 9.146 -2.186 1.00 0.00 C ATOM 1475 C GLU A 97 -3.017 8.429 -1.350 1.00 0.00 C ATOM 1476 O GLU A 97 -3.338 8.897 -0.256 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.626 9.938 -3.321 1.00 0.00 C ATOM 1478 CG GLU A 97 -1.869 11.233 -3.632 1.00 0.00 C ATOM 1479 CD GLU A 97 -1.994 12.290 -2.523 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.127 12.599 -2.073 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -0.969 12.901 -2.144 1.00 0.00 O ATOM 0 H GLU A 97 -0.922 8.232 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.432 9.836 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.671 9.320 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.653 10.175 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.815 11.002 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.245 11.650 -4.566 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.545 7.301 -1.838 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.489 6.480 -1.091 1.00 0.00 C ATOM 1490 C LYS A 98 -3.813 5.891 0.138 1.00 0.00 C ATOM 1491 O LYS A 98 -4.428 5.930 1.199 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.112 5.392 -1.983 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.153 5.993 -2.949 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.353 5.090 -3.273 1.00 0.00 C ATOM 1495 CE LYS A 98 -7.094 4.015 -4.337 1.00 0.00 C ATOM 1496 NZ LYS A 98 -8.348 3.380 -4.816 1.00 0.00 N ATOM 0 H LYS A 98 -3.326 6.936 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.309 7.113 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.329 4.892 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.585 4.634 -1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.526 6.923 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.651 6.250 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.676 4.599 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.179 5.717 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.571 4.462 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.437 3.250 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.121 2.661 -5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.836 2.929 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.966 4.104 -5.235 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.576 5.384 0.042 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.838 4.859 1.196 1.00 0.00 C ATOM 1512 C LEU A 99 -1.650 5.949 2.256 1.00 0.00 C ATOM 1513 O LEU A 99 -1.852 5.695 3.441 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.481 4.257 0.774 1.00 0.00 C ATOM 1515 CG LEU A 99 0.399 3.798 1.960 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.256 2.672 2.760 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.753 3.271 1.476 1.00 0.00 C ATOM 0 H LEU A 99 -2.061 5.327 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.429 4.054 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.661 3.406 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.068 4.997 0.192 1.00 0.00 H new ATOM 0 HG LEU A 99 0.526 4.679 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.398 2.382 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.210 3.016 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.423 1.813 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.348 2.956 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.596 2.421 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.279 4.060 0.939 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.255 7.157 1.859 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.069 8.287 2.728 1.00 0.00 C ATOM 1531 C ARG A 100 -2.392 8.681 3.374 1.00 0.00 C ATOM 1532 O ARG A 100 -2.420 8.971 4.568 1.00 0.00 O ATOM 1533 CB ARG A 100 -0.459 9.405 1.870 1.00 0.00 C ATOM 1534 CG ARG A 100 0.321 10.314 2.795 1.00 0.00 C ATOM 1535 CD ARG A 100 1.006 11.468 2.064 1.00 0.00 C ATOM 1536 NE ARG A 100 1.957 12.141 2.962 1.00 0.00 N ATOM 1537 CZ ARG A 100 2.392 13.401 2.856 1.00 0.00 C ATOM 1538 NH1 ARG A 100 2.086 14.141 1.797 1.00 0.00 N ATOM 1539 NH2 ARG A 100 3.142 13.911 3.823 1.00 0.00 N ATOM 0 H ARG A 100 -1.051 7.370 0.883 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.397 8.062 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.193 8.987 1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.241 9.962 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.353 10.719 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.074 9.727 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.528 11.093 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.260 12.180 1.712 1.00 0.00 H new ATOM 0 HE ARG A 100 2.320 11.593 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.512 13.750 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.425 15.101 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.381 13.343 4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.480 14.871 3.754 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.495 8.597 2.630 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.829 8.878 3.147 1.00 0.00 C ATOM 1555 C ASP A 101 -5.239 7.882 4.243 1.00 0.00 C ATOM 1556 O ASP A 101 -5.955 8.272 5.155 1.00 0.00 O ATOM 1557 CB ASP A 101 -5.840 8.933 1.993 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.166 9.561 2.432 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.158 10.732 2.874 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.243 8.961 2.213 1.00 0.00 O ATOM 0 H ASP A 101 -3.485 8.330 1.646 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.816 9.857 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.420 9.509 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.021 7.925 1.619 1.00 0.00 H new