USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -0.227 K(o=-0.87,f=-3.9!) USER MOD Set 1.2: A 29 SER OG : rot -149:sc= -0.644 USER MOD Single : A 15 HIS : no HD1:sc= -0.097 X(o=-0.097,f=-0.22) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00969 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -114:sc= 0.418 USER MOD Single : A 38 SER OG : rot 180:sc= -0.633 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0708 USER MOD Single : A 55 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.71) USER MOD Single : A 57 ASN : amide:sc= -1.84 X(o=-1.8,f=-2) USER MOD Single : A 60 ASN : amide:sc= -0.965 K(o=-0.96,f=-3.9!) USER MOD Single : A 65 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.56) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 70 HIS : no HE2:sc= -3.44! C(o=-3.4!,f=-4.5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -86:sc= 0.858 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.517 K(o=-0.52,f=-4.8!) USER MOD Single : A 95 SER OG : rot 40:sc= 0.436 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.152 -7.300 10.172 1.00 0.00 N ATOM 174 CA VAL A 14 -15.416 -6.071 9.434 1.00 0.00 C ATOM 175 C VAL A 14 -16.415 -6.311 8.307 1.00 0.00 C ATOM 176 O VAL A 14 -16.361 -7.333 7.622 1.00 0.00 O ATOM 177 CB VAL A 14 -14.122 -5.483 8.841 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.436 -4.293 7.947 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.160 -5.086 9.951 1.00 0.00 C ATOM 0 HA VAL A 14 -15.837 -5.360 10.144 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.642 -6.249 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.509 -3.891 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.085 -4.612 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.939 -3.522 8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.251 -4.672 9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.629 -4.337 10.589 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.909 -5.964 10.547 1.00 0.00 H new ATOM 189 N HIS A 15 -17.326 -5.362 8.120 1.00 0.00 N ATOM 190 CA HIS A 15 -18.338 -5.469 7.074 1.00 0.00 C ATOM 191 C HIS A 15 -18.412 -4.183 6.256 1.00 0.00 C ATOM 192 O HIS A 15 -18.840 -3.142 6.757 1.00 0.00 O ATOM 193 CB HIS A 15 -19.704 -5.778 7.687 1.00 0.00 C ATOM 194 CG HIS A 15 -19.864 -7.207 8.104 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.349 -8.264 7.383 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.486 -7.753 9.176 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.648 -9.397 7.992 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.337 -9.115 9.083 1.00 0.00 N ATOM 0 H HIS A 15 -17.385 -4.510 8.678 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.054 -6.285 6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.857 -5.136 8.554 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.482 -5.530 6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.003 -7.217 9.958 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.375 -10.386 7.655 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.700 -9.798 9.748 1.00 0.00 H new ATOM 206 N ILE A 16 -17.994 -4.263 4.998 1.00 0.00 N ATOM 207 CA ILE A 16 -18.014 -3.106 4.112 1.00 0.00 C ATOM 208 C ILE A 16 -19.430 -2.566 3.945 1.00 0.00 C ATOM 209 O ILE A 16 -20.212 -3.083 3.146 1.00 0.00 O ATOM 210 CB ILE A 16 -17.441 -3.449 2.724 1.00 0.00 C ATOM 211 CG1 ILE A 16 -16.011 -3.978 2.856 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.477 -2.227 1.819 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.036 -2.958 3.400 1.00 0.00 C ATOM 0 H ILE A 16 -17.637 -5.117 4.569 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.389 -2.343 4.576 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.058 -4.228 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.014 -4.850 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.665 -4.314 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.069 -2.486 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.507 -1.890 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.881 -1.429 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.043 -3.403 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.003 -2.095 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.358 -2.640 4.392 1.00 0.00 H new ATOM 225 N ILE A 17 -19.753 -1.523 4.702 1.00 0.00 N ATOM 226 CA ILE A 17 -21.074 -0.911 4.636 1.00 0.00 C ATOM 227 C ILE A 17 -21.261 -0.146 3.330 1.00 0.00 C ATOM 228 O ILE A 17 -22.130 -0.478 2.524 1.00 0.00 O ATOM 229 CB ILE A 17 -21.310 0.049 5.817 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.896 -0.615 7.132 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.770 0.475 5.870 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.106 0.264 8.345 1.00 0.00 C ATOM 0 H ILE A 17 -19.118 -1.084 5.368 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.800 -1.723 4.687 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.697 0.938 5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.464 -1.537 7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.844 -0.894 7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.921 1.153 6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.035 0.982 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.401 -0.405 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.791 -0.271 9.241 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.517 1.175 8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.162 0.522 8.429 1.00 0.00 H new ATOM 244 N GLU A 18 -20.438 0.878 3.127 1.00 0.00 N ATOM 245 CA GLU A 18 -20.513 1.689 1.917 1.00 0.00 C ATOM 246 C GLU A 18 -19.151 1.773 1.234 1.00 0.00 C ATOM 247 O GLU A 18 -18.416 2.745 1.408 1.00 0.00 O ATOM 248 CB GLU A 18 -21.017 3.095 2.249 1.00 0.00 C ATOM 249 CG GLU A 18 -22.276 3.106 3.099 1.00 0.00 C ATOM 250 CD GLU A 18 -22.957 4.460 3.117 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.713 5.259 2.189 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.734 4.721 4.059 1.00 0.00 O ATOM 0 H GLU A 18 -19.712 1.166 3.784 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.215 1.212 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.231 3.639 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.211 3.631 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.972 2.358 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.023 2.817 4.119 1.00 0.00 H new ATOM 259 N ASP A 19 -18.822 0.747 0.456 1.00 0.00 N ATOM 260 CA ASP A 19 -17.549 0.704 -0.255 1.00 0.00 C ATOM 261 C ASP A 19 -17.333 1.981 -1.061 1.00 0.00 C ATOM 262 O ASP A 19 -18.286 2.688 -1.392 1.00 0.00 O ATOM 263 CB ASP A 19 -17.498 -0.512 -1.180 1.00 0.00 C ATOM 264 CG ASP A 19 -16.079 -0.937 -1.501 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.454 -0.305 -2.379 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.592 -1.900 -0.873 1.00 0.00 O ATOM 0 H ASP A 19 -19.419 -0.066 0.302 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.751 0.623 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.026 -1.343 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.024 -0.282 -2.107 1.00 0.00 H new ATOM 271 N LEU A 20 -16.075 2.273 -1.372 1.00 0.00 N ATOM 272 CA LEU A 20 -15.733 3.466 -2.139 1.00 0.00 C ATOM 273 C LEU A 20 -16.513 3.513 -3.449 1.00 0.00 C ATOM 274 O LEU A 20 -17.229 2.572 -3.789 1.00 0.00 O ATOM 275 CB LEU A 20 -14.231 3.499 -2.424 1.00 0.00 C ATOM 276 CG LEU A 20 -13.314 3.296 -1.218 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.139 2.403 -1.585 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.823 4.636 -0.690 1.00 0.00 C ATOM 0 H LEU A 20 -15.275 1.700 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.003 4.340 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.004 2.729 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.989 4.458 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.885 2.805 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.497 2.270 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.509 1.432 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.567 2.866 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.172 4.472 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.269 5.154 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.676 5.243 -0.387 1.00 0.00 H new ATOM 290 N GLU A 21 -16.365 4.614 -4.180 1.00 0.00 N ATOM 291 CA GLU A 21 -17.055 4.782 -5.454 1.00 0.00 C ATOM 292 C GLU A 21 -16.057 4.969 -6.592 1.00 0.00 C ATOM 293 O GLU A 21 -15.810 4.049 -7.373 1.00 0.00 O ATOM 294 CB GLU A 21 -18.004 5.980 -5.391 1.00 0.00 C ATOM 295 CG GLU A 21 -19.140 5.806 -4.396 1.00 0.00 C ATOM 296 CD GLU A 21 -20.383 6.580 -4.789 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.671 6.666 -6.001 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.068 7.101 -3.883 1.00 0.00 O ATOM 0 H GLU A 21 -15.775 5.401 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.634 3.879 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.434 6.871 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.424 6.153 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.387 4.747 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.809 6.134 -3.411 1.00 0.00 H new ATOM 305 N ASP A 22 -15.486 6.165 -6.680 1.00 0.00 N ATOM 306 CA ASP A 22 -14.514 6.474 -7.723 1.00 0.00 C ATOM 307 C ASP A 22 -14.030 7.916 -7.605 1.00 0.00 C ATOM 308 O ASP A 22 -14.652 8.737 -6.931 1.00 0.00 O ATOM 309 CB ASP A 22 -15.125 6.239 -9.105 1.00 0.00 C ATOM 310 CG ASP A 22 -16.541 6.770 -9.210 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.702 7.994 -9.394 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.487 5.961 -9.108 1.00 0.00 O ATOM 0 H ASP A 22 -15.679 6.937 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.658 5.811 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.503 6.719 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.124 5.171 -9.323 1.00 0.00 H new ATOM 317 N VAL A 23 -12.916 8.217 -8.265 1.00 0.00 N ATOM 318 CA VAL A 23 -12.349 9.560 -8.234 1.00 0.00 C ATOM 319 C VAL A 23 -11.607 9.872 -9.529 1.00 0.00 C ATOM 320 O VAL A 23 -10.961 9.002 -10.112 1.00 0.00 O ATOM 321 CB VAL A 23 -11.383 9.734 -7.047 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.782 11.131 -7.048 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.097 9.453 -5.734 1.00 0.00 C ATOM 0 H VAL A 23 -12.389 7.549 -8.827 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.182 10.253 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.571 9.015 -7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.102 11.235 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.233 11.290 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.579 11.870 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.400 9.581 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.930 10.146 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.474 8.430 -5.736 1.00 0.00 H new ATOM 333 N ASP A 24 -11.705 11.121 -9.973 1.00 0.00 N ATOM 334 CA ASP A 24 -11.041 11.550 -11.199 1.00 0.00 C ATOM 335 C ASP A 24 -10.711 13.038 -11.145 1.00 0.00 C ATOM 336 O ASP A 24 -11.589 13.886 -11.302 1.00 0.00 O ATOM 337 CB ASP A 24 -11.925 11.254 -12.412 1.00 0.00 C ATOM 338 CG ASP A 24 -13.343 11.757 -12.232 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.067 11.200 -11.380 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.730 12.709 -12.942 1.00 0.00 O ATOM 0 H ASP A 24 -12.237 11.853 -9.503 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.109 10.993 -11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.488 11.716 -13.297 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.944 10.179 -12.590 1.00 0.00 H new ATOM 345 N VAL A 25 -9.438 13.349 -10.922 1.00 0.00 N ATOM 346 CA VAL A 25 -8.990 14.734 -10.848 1.00 0.00 C ATOM 347 C VAL A 25 -7.556 14.876 -11.343 1.00 0.00 C ATOM 348 O VAL A 25 -6.810 13.899 -11.401 1.00 0.00 O ATOM 349 CB VAL A 25 -9.082 15.277 -9.409 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.486 15.092 -8.856 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.055 14.596 -8.517 1.00 0.00 C ATOM 0 H VAL A 25 -8.698 12.659 -10.789 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.651 15.315 -11.491 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.863 16.345 -9.428 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.531 15.482 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.198 15.630 -9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.738 14.031 -8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.134 14.991 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.241 13.522 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.054 14.786 -8.904 1.00 0.00 H new ATOM 361 N GLN A 26 -7.176 16.099 -11.698 1.00 0.00 N ATOM 362 CA GLN A 26 -5.829 16.369 -12.188 1.00 0.00 C ATOM 363 C GLN A 26 -4.783 15.969 -11.153 1.00 0.00 C ATOM 364 O GLN A 26 -4.995 16.125 -9.951 1.00 0.00 O ATOM 365 CB GLN A 26 -5.678 17.850 -12.538 1.00 0.00 C ATOM 366 CG GLN A 26 -5.697 18.767 -11.326 1.00 0.00 C ATOM 367 CD GLN A 26 -6.760 19.843 -11.424 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.493 20.097 -10.468 1.00 0.00 O ATOM 369 NE2 GLN A 26 -6.849 20.483 -12.585 1.00 0.00 N ATOM 0 H GLN A 26 -7.782 16.919 -11.656 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.670 15.773 -13.087 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.742 17.994 -13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.483 18.139 -13.214 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.869 18.173 -10.428 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.720 19.236 -11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.221 20.240 -13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.546 21.218 -12.710 1.00 0.00 H new ATOM 378 N GLU A 27 -3.654 15.454 -11.629 1.00 0.00 N ATOM 379 CA GLU A 27 -2.575 15.031 -10.743 1.00 0.00 C ATOM 380 C GLU A 27 -2.068 16.202 -9.905 1.00 0.00 C ATOM 381 O GLU A 27 -2.033 17.341 -10.368 1.00 0.00 O ATOM 382 CB GLU A 27 -1.423 14.434 -11.554 1.00 0.00 C ATOM 383 CG GLU A 27 -0.475 15.477 -12.123 1.00 0.00 C ATOM 384 CD GLU A 27 0.759 15.674 -11.263 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.719 16.533 -10.358 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.763 14.970 -11.496 1.00 0.00 O ATOM 0 H GLU A 27 -3.462 15.320 -12.622 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.970 14.269 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.859 13.750 -10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.834 13.843 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.171 15.177 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.001 16.427 -12.220 1.00 0.00 H new ATOM 393 N GLY A 28 -1.678 15.912 -8.668 1.00 0.00 N ATOM 394 CA GLY A 28 -1.179 16.950 -7.785 1.00 0.00 C ATOM 395 C GLY A 28 -2.261 17.514 -6.885 1.00 0.00 C ATOM 396 O GLY A 28 -1.968 18.199 -5.905 1.00 0.00 O ATOM 0 H GLY A 28 -1.699 14.977 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.374 16.545 -7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.750 17.755 -8.382 1.00 0.00 H new ATOM 400 N SER A 29 -3.515 17.228 -7.219 1.00 0.00 N ATOM 401 CA SER A 29 -4.645 17.717 -6.438 1.00 0.00 C ATOM 402 C SER A 29 -4.935 16.788 -5.263 1.00 0.00 C ATOM 403 O SER A 29 -4.210 15.822 -5.027 1.00 0.00 O ATOM 404 CB SER A 29 -5.888 17.843 -7.321 1.00 0.00 C ATOM 405 OG SER A 29 -5.745 18.902 -8.253 1.00 0.00 O ATOM 0 H SER A 29 -3.774 16.660 -8.026 1.00 0.00 H new ATOM 0 HA SER A 29 -4.385 18.701 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.057 16.907 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.765 18.018 -6.698 1.00 0.00 H new ATOM 0 HG SER A 29 -6.624 19.290 -8.445 1.00 0.00 H new ATOM 411 N SER A 30 -6.001 17.089 -4.528 1.00 0.00 N ATOM 412 CA SER A 30 -6.386 16.284 -3.374 1.00 0.00 C ATOM 413 C SER A 30 -7.619 15.442 -3.687 1.00 0.00 C ATOM 414 O SER A 30 -8.733 15.958 -3.767 1.00 0.00 O ATOM 415 CB SER A 30 -6.662 17.184 -2.167 1.00 0.00 C ATOM 416 OG SER A 30 -7.152 18.449 -2.576 1.00 0.00 O ATOM 0 H SER A 30 -6.613 17.884 -4.711 1.00 0.00 H new ATOM 0 HA SER A 30 -5.560 15.614 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.388 16.704 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.747 17.314 -1.590 1.00 0.00 H new ATOM 0 HG SER A 30 -7.322 19.005 -1.787 1.00 0.00 H new ATOM 422 N ALA A 31 -7.410 14.141 -3.863 1.00 0.00 N ATOM 423 CA ALA A 31 -8.503 13.226 -4.165 1.00 0.00 C ATOM 424 C ALA A 31 -9.098 12.641 -2.888 1.00 0.00 C ATOM 425 O ALA A 31 -8.380 12.098 -2.047 1.00 0.00 O ATOM 426 CB ALA A 31 -8.021 12.112 -5.082 1.00 0.00 C ATOM 0 H ALA A 31 -6.493 13.698 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.285 13.789 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.848 11.436 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.650 12.542 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.219 11.559 -4.592 1.00 0.00 H new ATOM 432 N THR A 32 -10.415 12.756 -2.748 1.00 0.00 N ATOM 433 CA THR A 32 -11.107 12.241 -1.573 1.00 0.00 C ATOM 434 C THR A 32 -11.636 10.833 -1.820 1.00 0.00 C ATOM 435 O THR A 32 -12.188 10.544 -2.881 1.00 0.00 O ATOM 436 CB THR A 32 -12.278 13.154 -1.165 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.854 14.521 -1.155 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.810 12.772 0.208 1.00 0.00 C ATOM 0 H THR A 32 -11.024 13.202 -3.434 1.00 0.00 H new ATOM 0 HA THR A 32 -10.378 12.215 -0.763 1.00 0.00 H new ATOM 0 HB THR A 32 -13.078 13.028 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.605 15.095 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.636 13.431 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.161 11.740 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.015 12.871 0.947 1.00 0.00 H new ATOM 446 N PHE A 33 -11.465 9.960 -0.832 1.00 0.00 N ATOM 447 CA PHE A 33 -11.926 8.581 -0.943 1.00 0.00 C ATOM 448 C PHE A 33 -12.660 8.150 0.323 1.00 0.00 C ATOM 449 O PHE A 33 -12.052 7.628 1.258 1.00 0.00 O ATOM 450 CB PHE A 33 -10.744 7.645 -1.205 1.00 0.00 C ATOM 451 CG PHE A 33 -10.340 7.579 -2.650 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.040 6.782 -3.542 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.261 8.313 -3.116 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.672 6.719 -4.873 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.889 8.254 -4.446 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.594 7.455 -5.325 1.00 0.00 C ATOM 0 H PHE A 33 -11.011 10.183 0.054 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.619 8.522 -1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.891 7.975 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.001 6.643 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.883 6.204 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.705 8.938 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.227 6.095 -5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.047 8.832 -4.798 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.303 7.406 -6.364 1.00 0.00 H new ATOM 466 N ARG A 34 -13.970 8.372 0.346 1.00 0.00 N ATOM 467 CA ARG A 34 -14.787 8.008 1.497 1.00 0.00 C ATOM 468 C ARG A 34 -15.210 6.544 1.423 1.00 0.00 C ATOM 469 O ARG A 34 -15.372 5.989 0.335 1.00 0.00 O ATOM 470 CB ARG A 34 -16.024 8.905 1.574 1.00 0.00 C ATOM 471 CG ARG A 34 -15.848 10.109 2.485 1.00 0.00 C ATOM 472 CD ARG A 34 -16.756 11.257 2.072 1.00 0.00 C ATOM 473 NE ARG A 34 -16.203 12.555 2.449 1.00 0.00 N ATOM 474 CZ ARG A 34 -16.901 13.685 2.428 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.172 13.676 2.052 1.00 0.00 N ATOM 476 NH2 ARG A 34 -16.327 14.827 2.786 1.00 0.00 N ATOM 0 H ARG A 34 -14.488 8.802 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.187 8.149 2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.273 9.252 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.869 8.314 1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.066 9.823 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.809 10.438 2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.909 11.228 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.734 11.131 2.537 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.228 12.596 2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.617 12.800 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.706 14.545 2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.350 14.837 3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.863 15.694 2.770 1.00 0.00 H new ATOM 490 N CYS A 35 -15.386 5.925 2.585 1.00 0.00 N ATOM 491 CA CYS A 35 -15.789 4.525 2.652 1.00 0.00 C ATOM 492 C CYS A 35 -16.314 4.176 4.041 1.00 0.00 C ATOM 493 O CYS A 35 -15.632 4.387 5.044 1.00 0.00 O ATOM 494 CB CYS A 35 -14.611 3.616 2.295 1.00 0.00 C ATOM 495 SG CYS A 35 -13.126 3.912 3.283 1.00 0.00 S ATOM 0 H CYS A 35 -15.256 6.370 3.493 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.591 4.368 1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.917 2.577 2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.367 3.752 1.241 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.180 4.371 2.518 1.00 0.00 H new ATOM 501 N ARG A 36 -17.530 3.644 4.091 1.00 0.00 N ATOM 502 CA ARG A 36 -18.148 3.268 5.357 1.00 0.00 C ATOM 503 C ARG A 36 -17.894 1.797 5.671 1.00 0.00 C ATOM 504 O ARG A 36 -18.434 0.909 5.009 1.00 0.00 O ATOM 505 CB ARG A 36 -19.653 3.540 5.315 1.00 0.00 C ATOM 506 CG ARG A 36 -20.276 3.734 6.688 1.00 0.00 C ATOM 507 CD ARG A 36 -21.786 3.886 6.598 1.00 0.00 C ATOM 508 NE ARG A 36 -22.404 4.001 7.917 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.706 3.852 8.134 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.523 3.582 7.125 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.193 3.972 9.362 1.00 0.00 N ATOM 0 H ARG A 36 -18.107 3.463 3.270 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.699 3.872 6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.836 4.430 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.150 2.709 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.032 2.882 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.848 4.618 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.027 4.769 6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.206 3.027 6.074 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.803 4.207 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.152 3.488 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.522 3.468 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.568 4.179 10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.193 3.857 9.528 1.00 0.00 H new ATOM 525 N ILE A 37 -17.071 1.546 6.683 1.00 0.00 N ATOM 526 CA ILE A 37 -16.747 0.183 7.084 1.00 0.00 C ATOM 527 C ILE A 37 -17.002 -0.027 8.573 1.00 0.00 C ATOM 528 O ILE A 37 -16.592 0.782 9.404 1.00 0.00 O ATOM 529 CB ILE A 37 -15.278 -0.161 6.773 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.339 0.714 7.606 1.00 0.00 C ATOM 531 CG2 ILE A 37 -14.996 0.013 5.288 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.795 0.019 8.834 1.00 0.00 C ATOM 0 H ILE A 37 -16.616 2.269 7.240 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.396 -0.478 6.510 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.101 -1.204 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.506 1.035 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.872 1.614 7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.954 -0.234 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.645 -0.649 4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.187 1.047 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.137 0.699 9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.621 -0.278 9.480 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.234 -0.865 8.533 1.00 0.00 H new ATOM 544 N SER A 38 -17.682 -1.121 8.902 1.00 0.00 N ATOM 545 CA SER A 38 -17.994 -1.438 10.291 1.00 0.00 C ATOM 546 C SER A 38 -16.915 -2.328 10.901 1.00 0.00 C ATOM 547 O SER A 38 -16.243 -3.094 10.210 1.00 0.00 O ATOM 548 CB SER A 38 -19.355 -2.130 10.384 1.00 0.00 C ATOM 549 OG SER A 38 -19.384 -3.055 11.457 1.00 0.00 O ATOM 0 H SER A 38 -18.027 -1.802 8.226 1.00 0.00 H new ATOM 0 HA SER A 38 -18.030 -0.504 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.137 -1.384 10.522 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.569 -2.647 9.448 1.00 0.00 H new ATOM 0 HG SER A 38 -20.265 -3.483 11.496 1.00 0.00 H new ATOM 555 N PRO A 39 -16.745 -2.225 12.227 1.00 0.00 N ATOM 556 CA PRO A 39 -17.539 -1.316 13.059 1.00 0.00 C ATOM 557 C PRO A 39 -17.201 0.148 12.803 1.00 0.00 C ATOM 558 O PRO A 39 -16.219 0.460 12.129 1.00 0.00 O ATOM 559 CB PRO A 39 -17.153 -1.713 14.486 1.00 0.00 C ATOM 560 CG PRO A 39 -15.794 -2.310 14.359 1.00 0.00 C ATOM 561 CD PRO A 39 -15.764 -2.988 13.017 1.00 0.00 C ATOM 0 HA PRO A 39 -18.606 -1.401 12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.145 -0.848 15.149 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.862 -2.428 14.903 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.023 -1.543 14.426 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.604 -3.023 15.161 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.771 -2.950 12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.039 -4.040 13.092 1.00 0.00 H new ATOM 569 N ALA A 40 -18.019 1.044 13.346 1.00 0.00 N ATOM 570 CA ALA A 40 -17.804 2.476 13.179 1.00 0.00 C ATOM 571 C ALA A 40 -16.624 2.956 14.016 1.00 0.00 C ATOM 572 O ALA A 40 -16.209 4.110 13.918 1.00 0.00 O ATOM 573 CB ALA A 40 -19.064 3.245 13.548 1.00 0.00 C ATOM 0 H ALA A 40 -18.837 0.803 13.906 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.571 2.663 12.131 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.889 4.313 13.419 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.884 2.931 12.903 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.322 3.043 14.587 1.00 0.00 H new ATOM 579 N ASN A 41 -16.088 2.062 14.841 1.00 0.00 N ATOM 580 CA ASN A 41 -14.955 2.396 15.698 1.00 0.00 C ATOM 581 C ASN A 41 -13.761 1.496 15.396 1.00 0.00 C ATOM 582 O ASN A 41 -13.006 1.126 16.295 1.00 0.00 O ATOM 583 CB ASN A 41 -15.347 2.264 17.171 1.00 0.00 C ATOM 584 CG ASN A 41 -16.364 3.307 17.594 1.00 0.00 C ATOM 585 OD1 ASN A 41 -16.158 4.505 17.399 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.468 2.855 18.177 1.00 0.00 N ATOM 0 H ASN A 41 -16.419 1.102 14.934 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.670 3.428 15.496 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.756 1.269 17.348 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.456 2.357 17.791 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -18.188 3.510 18.483 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.597 1.853 18.318 1.00 0.00 H new ATOM 593 N TYR A 42 -13.597 1.147 14.124 1.00 0.00 N ATOM 594 CA TYR A 42 -12.496 0.289 13.703 1.00 0.00 C ATOM 595 C TYR A 42 -11.262 1.117 13.355 1.00 0.00 C ATOM 596 O TYR A 42 -11.354 2.116 12.642 1.00 0.00 O ATOM 597 CB TYR A 42 -12.913 -0.557 12.499 1.00 0.00 C ATOM 598 CG TYR A 42 -11.881 -1.585 12.095 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.771 -1.226 11.340 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.015 -2.917 12.468 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.826 -2.162 10.968 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.074 -3.860 12.102 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.982 -3.478 11.352 1.00 0.00 C ATOM 604 OH TYR A 42 -9.043 -4.414 10.984 1.00 0.00 O ATOM 0 H TYR A 42 -14.213 1.445 13.367 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.245 -0.371 14.533 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.849 -1.065 12.730 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.108 0.102 11.653 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.645 -0.197 11.039 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.870 -3.220 13.054 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.970 -1.866 10.380 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.193 -4.891 12.402 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.301 -5.292 11.335 1.00 0.00 H new ATOM 614 N GLU A 43 -10.110 0.693 13.864 1.00 0.00 N ATOM 615 CA GLU A 43 -8.858 1.394 13.607 1.00 0.00 C ATOM 616 C GLU A 43 -7.696 0.715 14.325 1.00 0.00 C ATOM 617 O GLU A 43 -7.880 -0.039 15.282 1.00 0.00 O ATOM 618 CB GLU A 43 -8.965 2.854 14.054 1.00 0.00 C ATOM 619 CG GLU A 43 -9.835 3.052 15.283 1.00 0.00 C ATOM 620 CD GLU A 43 -9.529 4.346 16.012 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.104 5.315 15.349 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.716 4.389 17.246 1.00 0.00 O ATOM 0 H GLU A 43 -10.018 -0.132 14.456 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.667 1.362 12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.965 3.236 14.262 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.369 3.448 13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.884 3.046 14.986 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.692 2.213 15.964 1.00 0.00 H new ATOM 629 N PRO A 44 -6.470 0.986 13.854 1.00 0.00 N ATOM 630 CA PRO A 44 -6.239 1.880 12.716 1.00 0.00 C ATOM 631 C PRO A 44 -6.718 1.279 11.400 1.00 0.00 C ATOM 632 O PRO A 44 -7.184 0.140 11.359 1.00 0.00 O ATOM 633 CB PRO A 44 -4.718 2.052 12.703 1.00 0.00 C ATOM 634 CG PRO A 44 -4.192 0.824 13.363 1.00 0.00 C ATOM 635 CD PRO A 44 -5.214 0.439 14.396 1.00 0.00 C ATOM 0 HA PRO A 44 -6.787 2.817 12.816 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.339 2.148 11.685 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.417 2.951 13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.049 0.022 12.638 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.223 1.014 13.825 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.269 -0.642 14.524 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.979 0.864 15.372 1.00 0.00 H new ATOM 643 N VAL A 45 -6.601 2.052 10.324 1.00 0.00 N ATOM 644 CA VAL A 45 -7.021 1.594 9.005 1.00 0.00 C ATOM 645 C VAL A 45 -5.863 1.634 8.015 1.00 0.00 C ATOM 646 O VAL A 45 -4.979 2.487 8.110 1.00 0.00 O ATOM 647 CB VAL A 45 -8.180 2.449 8.458 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.472 2.133 9.196 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.845 3.929 8.562 1.00 0.00 C ATOM 0 H VAL A 45 -6.219 2.998 10.340 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.361 0.565 9.120 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.323 2.205 7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.279 2.747 8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.718 1.079 9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.346 2.346 10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.675 4.518 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.674 4.191 9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.946 4.140 7.983 1.00 0.00 H new ATOM 659 N HIS A 46 -5.873 0.707 7.063 1.00 0.00 N ATOM 660 CA HIS A 46 -4.823 0.636 6.053 1.00 0.00 C ATOM 661 C HIS A 46 -5.341 1.107 4.697 1.00 0.00 C ATOM 662 O HIS A 46 -6.524 0.962 4.390 1.00 0.00 O ATOM 663 CB HIS A 46 -4.290 -0.792 5.940 1.00 0.00 C ATOM 664 CG HIS A 46 -3.868 -1.379 7.252 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.183 -0.663 8.211 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.039 -2.621 7.762 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.950 -1.440 9.254 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.460 -2.633 9.007 1.00 0.00 N ATOM 0 H HIS A 46 -6.597 -0.006 6.970 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.011 1.295 6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.060 -1.425 5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.440 -0.801 5.257 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.538 -3.448 7.280 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.431 -1.149 10.155 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.429 -3.433 9.639 1.00 0.00 H new ATOM 676 N TRP A 47 -4.448 1.671 3.891 1.00 0.00 N ATOM 677 CA TRP A 47 -4.816 2.163 2.569 1.00 0.00 C ATOM 678 C TRP A 47 -3.716 1.872 1.554 1.00 0.00 C ATOM 679 O TRP A 47 -2.546 2.174 1.790 1.00 0.00 O ATOM 680 CB TRP A 47 -5.094 3.666 2.621 1.00 0.00 C ATOM 681 CG TRP A 47 -6.349 4.013 3.363 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.544 3.959 4.714 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.584 4.464 2.796 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.825 4.350 5.021 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.483 4.666 3.862 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.017 4.720 1.493 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.787 5.109 3.661 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.312 5.160 1.295 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.184 5.352 2.374 1.00 0.00 C ATOM 0 H TRP A 47 -3.465 1.799 4.130 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.721 1.644 2.255 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.250 4.168 3.094 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.164 4.051 1.604 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.800 3.654 5.435 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.222 4.397 5.960 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.351 4.577 0.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.462 5.256 4.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.657 5.359 0.291 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.190 5.699 2.187 1.00 0.00 H new ATOM 700 N PHE A 48 -4.098 1.285 0.425 1.00 0.00 N ATOM 701 CA PHE A 48 -3.143 0.953 -0.625 1.00 0.00 C ATOM 702 C PHE A 48 -3.619 1.474 -1.978 1.00 0.00 C ATOM 703 O PHE A 48 -4.798 1.783 -2.158 1.00 0.00 O ATOM 704 CB PHE A 48 -2.935 -0.562 -0.695 1.00 0.00 C ATOM 705 CG PHE A 48 -2.421 -1.155 0.586 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.277 -1.385 1.651 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.082 -1.483 0.725 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.808 -1.931 2.831 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.607 -2.030 1.902 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.471 -2.253 2.957 1.00 0.00 C ATOM 0 H PHE A 48 -5.063 1.029 0.214 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.195 1.433 -0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.880 -1.039 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.234 -0.788 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.323 -1.135 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.402 -1.309 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.486 -2.106 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.439 -2.283 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.101 -2.678 3.878 1.00 0.00 H new ATOM 720 N LEU A 49 -2.694 1.570 -2.927 1.00 0.00 N ATOM 721 CA LEU A 49 -3.017 2.055 -4.264 1.00 0.00 C ATOM 722 C LEU A 49 -2.299 1.233 -5.330 1.00 0.00 C ATOM 723 O LEU A 49 -1.100 1.400 -5.553 1.00 0.00 O ATOM 724 CB LEU A 49 -2.637 3.530 -4.399 1.00 0.00 C ATOM 725 CG LEU A 49 -2.914 4.174 -5.759 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.723 3.995 -6.687 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.171 3.583 -6.381 1.00 0.00 C ATOM 0 H LEU A 49 -1.714 1.318 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.092 1.948 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.174 4.094 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.574 3.632 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.073 5.242 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.939 4.459 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.844 4.465 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.531 2.932 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.354 4.052 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.039 2.510 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.022 3.763 -5.724 1.00 0.00 H new ATOM 739 N ASP A 50 -3.040 0.347 -5.985 1.00 0.00 N ATOM 740 CA ASP A 50 -2.475 -0.499 -7.030 1.00 0.00 C ATOM 741 C ASP A 50 -1.491 -1.505 -6.442 1.00 0.00 C ATOM 742 O ASP A 50 -1.816 -2.679 -6.267 1.00 0.00 O ATOM 743 CB ASP A 50 -1.777 0.358 -8.088 1.00 0.00 C ATOM 744 CG ASP A 50 -2.520 0.364 -9.410 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.765 0.280 -9.390 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.855 0.452 -10.463 1.00 0.00 O ATOM 0 H ASP A 50 -4.034 0.196 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.291 -1.048 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.686 1.380 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.765 -0.016 -8.245 1.00 0.00 H new ATOM 751 N LYS A 51 -0.285 -1.037 -6.138 1.00 0.00 N ATOM 752 CA LYS A 51 0.748 -1.894 -5.570 1.00 0.00 C ATOM 753 C LYS A 51 1.705 -1.088 -4.697 1.00 0.00 C ATOM 754 O LYS A 51 2.917 -1.299 -4.726 1.00 0.00 O ATOM 755 CB LYS A 51 1.527 -2.597 -6.684 1.00 0.00 C ATOM 756 CG LYS A 51 1.537 -1.832 -7.995 1.00 0.00 C ATOM 757 CD LYS A 51 2.221 -0.483 -7.849 1.00 0.00 C ATOM 758 CE LYS A 51 1.787 0.484 -8.940 1.00 0.00 C ATOM 759 NZ LYS A 51 2.872 0.727 -9.930 1.00 0.00 N ATOM 0 H LYS A 51 0.001 -0.068 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 51 0.260 -2.644 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.555 -2.752 -6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.094 -3.583 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.049 -2.420 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.513 -1.686 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.987 -0.059 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.302 -0.616 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.911 0.085 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.489 1.430 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.537 1.391 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.699 1.132 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.140 -0.172 -10.379 1.00 0.00 H new ATOM 773 N THR A 52 1.151 -0.163 -3.918 1.00 0.00 N ATOM 774 CA THR A 52 1.955 0.675 -3.037 1.00 0.00 C ATOM 775 C THR A 52 1.162 1.093 -1.803 1.00 0.00 C ATOM 776 O THR A 52 0.036 1.582 -1.896 1.00 0.00 O ATOM 777 CB THR A 52 2.456 1.936 -3.764 1.00 0.00 C ATOM 778 OG1 THR A 52 3.108 1.572 -4.986 1.00 0.00 O ATOM 779 CG2 THR A 52 3.418 2.721 -2.885 1.00 0.00 C ATOM 0 H THR A 52 0.149 0.024 -3.880 1.00 0.00 H new ATOM 0 HA THR A 52 2.814 0.078 -2.729 1.00 0.00 H new ATOM 0 HB THR A 52 1.595 2.566 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.422 2.380 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.759 3.608 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.910 3.023 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.275 2.096 -2.636 1.00 0.00 H new ATOM 787 N PRO A 53 1.763 0.900 -0.620 1.00 0.00 N ATOM 788 CA PRO A 53 1.131 1.252 0.655 1.00 0.00 C ATOM 789 C PRO A 53 1.018 2.760 0.849 1.00 0.00 C ATOM 790 O PRO A 53 1.846 3.524 0.351 1.00 0.00 O ATOM 791 CB PRO A 53 2.075 0.648 1.698 1.00 0.00 C ATOM 792 CG PRO A 53 3.399 0.582 1.017 1.00 0.00 C ATOM 793 CD PRO A 53 3.105 0.322 -0.435 1.00 0.00 C ATOM 0 HA PRO A 53 0.109 0.880 0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.121 1.266 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.740 -0.341 2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.950 1.514 1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.016 -0.212 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.840 0.797 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.119 -0.744 -0.663 1.00 0.00 H new ATOM 801 N LEU A 54 -0.011 3.183 1.574 1.00 0.00 N ATOM 802 CA LEU A 54 -0.233 4.602 1.834 1.00 0.00 C ATOM 803 C LEU A 54 -0.316 4.874 3.333 1.00 0.00 C ATOM 804 O LEU A 54 -0.934 4.114 4.079 1.00 0.00 O ATOM 805 CB LEU A 54 -1.515 5.072 1.147 1.00 0.00 C ATOM 806 CG LEU A 54 -1.549 4.939 -0.376 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.953 4.604 -0.852 1.00 0.00 C ATOM 808 CD2 LEU A 54 -1.051 6.217 -1.035 1.00 0.00 C ATOM 0 H LEU A 54 -0.705 2.564 1.993 1.00 0.00 H new ATOM 0 HA LEU A 54 0.613 5.157 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.352 4.508 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.678 6.119 1.404 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.886 4.123 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.957 4.513 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.272 3.661 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.638 5.397 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.082 6.104 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.687 7.051 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.026 6.413 -0.720 1.00 0.00 H new ATOM 820 N HIS A 55 0.309 5.964 3.767 1.00 0.00 N ATOM 821 CA HIS A 55 0.303 6.339 5.177 1.00 0.00 C ATOM 822 C HIS A 55 0.151 7.848 5.337 1.00 0.00 C ATOM 823 O HIS A 55 0.659 8.622 4.526 1.00 0.00 O ATOM 824 CB HIS A 55 1.590 5.869 5.856 1.00 0.00 C ATOM 825 CG HIS A 55 1.952 4.451 5.538 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.307 3.367 6.094 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.899 3.942 4.715 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.841 2.252 5.627 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.809 2.574 4.788 1.00 0.00 N ATOM 0 H HIS A 55 0.826 6.603 3.163 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.549 5.854 5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.409 6.521 5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.481 5.974 6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.595 4.507 4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.538 1.249 5.887 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.395 1.913 4.277 1.00 0.00 H new ATOM 837 N ALA A 56 -0.552 8.259 6.387 1.00 0.00 N ATOM 838 CA ALA A 56 -0.770 9.675 6.654 1.00 0.00 C ATOM 839 C ALA A 56 0.552 10.433 6.712 1.00 0.00 C ATOM 840 O ALA A 56 1.476 10.033 7.418 1.00 0.00 O ATOM 841 CB ALA A 56 -1.541 9.855 7.954 1.00 0.00 C ATOM 0 H ALA A 56 -0.980 7.631 7.067 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.359 10.087 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.697 10.918 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.506 9.355 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.973 9.421 8.777 1.00 0.00 H new ATOM 847 N ASN A 57 0.634 11.528 5.963 1.00 0.00 N ATOM 848 CA ASN A 57 1.844 12.341 5.929 1.00 0.00 C ATOM 849 C ASN A 57 1.517 13.789 5.577 1.00 0.00 C ATOM 850 O ASN A 57 0.350 14.163 5.471 1.00 0.00 O ATOM 851 CB ASN A 57 2.838 11.770 4.916 1.00 0.00 C ATOM 852 CG ASN A 57 3.379 10.417 5.336 1.00 0.00 C ATOM 853 OD1 ASN A 57 3.881 10.254 6.448 1.00 0.00 O ATOM 854 ND2 ASN A 57 3.278 9.437 4.444 1.00 0.00 N ATOM 0 H ASN A 57 -0.123 11.872 5.372 1.00 0.00 H new ATOM 0 HA ASN A 57 2.294 12.320 6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.351 11.678 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.667 12.467 4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.624 8.504 4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.854 9.617 3.534 1.00 0.00 H new ATOM 861 N GLU A 58 2.557 14.598 5.396 1.00 0.00 N ATOM 862 CA GLU A 58 2.379 16.004 5.055 1.00 0.00 C ATOM 863 C GLU A 58 1.457 16.160 3.850 1.00 0.00 C ATOM 864 O GLU A 58 0.777 17.177 3.700 1.00 0.00 O ATOM 865 CB GLU A 58 3.732 16.656 4.764 1.00 0.00 C ATOM 866 CG GLU A 58 3.621 18.055 4.181 1.00 0.00 C ATOM 867 CD GLU A 58 4.615 19.023 4.792 1.00 0.00 C ATOM 868 OE1 GLU A 58 5.824 18.709 4.793 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.184 20.093 5.270 1.00 0.00 O ATOM 0 H GLU A 58 3.530 14.304 5.480 1.00 0.00 H new ATOM 0 HA GLU A 58 1.919 16.503 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.310 16.701 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.288 16.025 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.780 18.009 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.610 18.431 4.338 1.00 0.00 H new ATOM 876 N LEU A 59 1.439 15.147 2.991 1.00 0.00 N ATOM 877 CA LEU A 59 0.601 15.170 1.797 1.00 0.00 C ATOM 878 C LEU A 59 -0.587 14.225 1.947 1.00 0.00 C ATOM 879 O LEU A 59 -1.702 14.543 1.535 1.00 0.00 O ATOM 880 CB LEU A 59 1.422 14.783 0.566 1.00 0.00 C ATOM 881 CG LEU A 59 2.788 15.457 0.432 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.662 14.701 -0.557 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.627 16.909 0.003 1.00 0.00 C ATOM 0 H LEU A 59 1.995 14.299 3.099 1.00 0.00 H new ATOM 0 HA LEU A 59 0.222 16.184 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.571 13.703 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.836 15.014 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 59 3.278 15.439 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.630 15.195 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.805 13.678 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.178 14.687 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.609 17.373 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.117 16.950 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.040 17.446 0.748 1.00 0.00 H new ATOM 895 N ASN A 60 -0.340 13.062 2.542 1.00 0.00 N ATOM 896 CA ASN A 60 -1.390 12.071 2.748 1.00 0.00 C ATOM 897 C ASN A 60 -2.234 12.419 3.971 1.00 0.00 C ATOM 898 O ASN A 60 -1.704 12.644 5.059 1.00 0.00 O ATOM 899 CB ASN A 60 -0.780 10.678 2.916 1.00 0.00 C ATOM 900 CG ASN A 60 0.231 10.356 1.832 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.346 10.877 1.832 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.157 9.492 0.900 1.00 0.00 N ATOM 0 H ASN A 60 0.577 12.783 2.890 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.035 12.074 1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.297 10.611 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.575 9.932 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.479 9.236 0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.091 9.084 0.940 1.00 0.00 H new ATOM 909 N GLU A 61 -3.549 12.459 3.783 1.00 0.00 N ATOM 910 CA GLU A 61 -4.466 12.780 4.871 1.00 0.00 C ATOM 911 C GLU A 61 -5.493 11.668 5.063 1.00 0.00 C ATOM 912 O GLU A 61 -6.131 11.226 4.106 1.00 0.00 O ATOM 913 CB GLU A 61 -5.179 14.105 4.594 1.00 0.00 C ATOM 914 CG GLU A 61 -5.337 14.981 5.825 1.00 0.00 C ATOM 915 CD GLU A 61 -6.231 14.352 6.876 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.225 13.699 6.495 1.00 0.00 O ATOM 917 OE2 GLU A 61 -5.938 14.514 8.079 1.00 0.00 O ATOM 0 H GLU A 61 -4.003 12.273 2.889 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.882 12.875 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.622 14.656 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.165 13.897 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.355 15.175 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.752 15.945 5.530 1.00 0.00 H new ATOM 924 N ILE A 62 -5.647 11.220 6.304 1.00 0.00 N ATOM 925 CA ILE A 62 -6.596 10.160 6.622 1.00 0.00 C ATOM 926 C ILE A 62 -7.463 10.539 7.818 1.00 0.00 C ATOM 927 O ILE A 62 -7.066 10.353 8.968 1.00 0.00 O ATOM 928 CB ILE A 62 -5.877 8.832 6.922 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.047 8.391 5.715 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.886 7.757 7.299 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.679 7.861 6.084 1.00 0.00 C ATOM 0 H ILE A 62 -5.127 11.575 7.106 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.229 10.030 5.745 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.204 8.983 7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.592 7.619 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.930 9.236 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.363 6.824 7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.437 8.070 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.582 7.606 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.146 7.567 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.115 8.638 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.788 6.996 6.738 1.00 0.00 H new ATOM 943 N ASP A 63 -8.649 11.069 7.538 1.00 0.00 N ATOM 944 CA ASP A 63 -9.574 11.471 8.591 1.00 0.00 C ATOM 945 C ASP A 63 -10.390 10.279 9.082 1.00 0.00 C ATOM 946 O ASP A 63 -10.238 9.163 8.585 1.00 0.00 O ATOM 947 CB ASP A 63 -10.508 12.571 8.086 1.00 0.00 C ATOM 948 CG ASP A 63 -10.332 13.873 8.841 1.00 0.00 C ATOM 949 OD1 ASP A 63 -10.148 13.823 10.076 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.375 14.942 8.198 1.00 0.00 O ATOM 0 H ASP A 63 -8.992 11.230 6.591 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.989 11.857 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.323 12.742 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.541 12.237 8.180 1.00 0.00 H new ATOM 955 N ALA A 64 -11.254 10.523 10.061 1.00 0.00 N ATOM 956 CA ALA A 64 -12.095 9.470 10.618 1.00 0.00 C ATOM 957 C ALA A 64 -13.473 10.007 10.990 1.00 0.00 C ATOM 958 O ALA A 64 -13.827 10.071 12.166 1.00 0.00 O ATOM 959 CB ALA A 64 -11.424 8.847 11.834 1.00 0.00 C ATOM 0 H ALA A 64 -11.390 11.441 10.485 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.227 8.702 9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.063 8.062 12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.465 8.419 11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.263 9.613 12.593 1.00 0.00 H new ATOM 965 N GLN A 65 -14.245 10.391 9.978 1.00 0.00 N ATOM 966 CA GLN A 65 -15.584 10.924 10.200 1.00 0.00 C ATOM 967 C GLN A 65 -16.406 9.984 11.077 1.00 0.00 C ATOM 968 O GLN A 65 -16.097 8.800 11.219 1.00 0.00 O ATOM 969 CB GLN A 65 -16.296 11.145 8.864 1.00 0.00 C ATOM 970 CG GLN A 65 -16.033 12.513 8.255 1.00 0.00 C ATOM 971 CD GLN A 65 -16.873 12.773 7.020 1.00 0.00 C ATOM 972 OE1 GLN A 65 -18.050 12.415 6.969 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.271 13.399 6.015 1.00 0.00 N ATOM 0 H GLN A 65 -13.967 10.343 8.998 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.486 11.880 10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.978 10.376 8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.369 11.021 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.239 13.283 8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.977 12.594 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.294 13.678 6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.786 13.601 5.158 1.00 0.00 H new ATOM 982 N PRO A 66 -17.477 10.521 11.680 1.00 0.00 N ATOM 983 CA PRO A 66 -18.364 9.748 12.553 1.00 0.00 C ATOM 984 C PRO A 66 -19.190 8.725 11.781 1.00 0.00 C ATOM 985 O PRO A 66 -19.768 9.037 10.741 1.00 0.00 O ATOM 986 CB PRO A 66 -19.274 10.814 13.169 1.00 0.00 C ATOM 987 CG PRO A 66 -19.271 11.930 12.182 1.00 0.00 C ATOM 988 CD PRO A 66 -17.904 11.925 11.555 1.00 0.00 C ATOM 0 HA PRO A 66 -17.807 9.167 13.288 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.281 10.430 13.329 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.900 11.142 14.139 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.046 11.787 11.429 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.473 12.883 12.670 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.939 12.243 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.222 12.600 12.072 1.00 0.00 H new ATOM 996 N GLY A 67 -19.241 7.500 12.297 1.00 0.00 N ATOM 997 CA GLY A 67 -19.999 6.450 11.642 1.00 0.00 C ATOM 998 C GLY A 67 -19.129 5.559 10.778 1.00 0.00 C ATOM 999 O GLY A 67 -19.577 5.048 9.753 1.00 0.00 O ATOM 0 H GLY A 67 -18.771 7.217 13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.499 5.843 12.396 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.778 6.899 11.026 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.879 5.374 11.193 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.963 4.540 10.437 1.00 0.00 C ATOM 1005 C GLY A 68 -16.703 5.079 9.044 1.00 0.00 C ATOM 1006 O GLY A 68 -16.515 4.313 8.099 1.00 0.00 O ATOM 0 H GLY A 68 -17.485 5.787 12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.018 4.463 10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.371 3.532 10.363 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.692 6.402 8.916 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.457 7.043 7.628 1.00 0.00 C ATOM 1012 C TYR A 69 -14.999 7.473 7.492 1.00 0.00 C ATOM 1013 O TYR A 69 -14.607 8.538 7.969 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.375 8.255 7.463 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.712 7.921 6.842 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.730 7.352 7.598 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.959 8.176 5.498 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.953 7.045 7.033 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.179 7.873 4.926 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.173 7.307 5.697 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.390 7.004 5.132 1.00 0.00 O ATOM 0 H TYR A 69 -16.843 7.051 9.689 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.678 6.319 6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.541 8.710 8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.873 8.999 6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.562 7.146 8.645 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.183 8.619 4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.733 6.602 7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.354 8.078 3.880 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.381 7.252 4.184 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.201 6.636 6.837 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.786 6.928 6.635 1.00 0.00 C ATOM 1033 C HIS A 70 -12.574 7.726 5.352 1.00 0.00 C ATOM 1034 O HIS A 70 -12.833 7.235 4.254 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.978 5.632 6.583 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.050 4.830 7.846 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.642 5.316 9.070 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.487 3.568 8.070 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.823 4.388 9.992 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.336 3.318 9.411 1.00 0.00 N ATOM 0 H HIS A 70 -14.510 5.750 6.437 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.441 7.528 7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.338 5.022 5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.936 5.872 6.373 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.260 6.247 9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.881 2.886 7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.591 4.487 11.042 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.102 8.960 5.500 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.854 9.826 4.353 1.00 0.00 C ATOM 1050 C VAL A 71 -10.360 9.971 4.086 1.00 0.00 C ATOM 1051 O VAL A 71 -9.592 10.336 4.977 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.465 11.225 4.564 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.361 12.050 3.291 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.912 11.111 5.020 1.00 0.00 C ATOM 0 H VAL A 71 -11.884 9.382 6.402 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.330 9.355 3.492 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.902 11.735 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.797 13.035 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.313 12.160 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.898 11.547 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.328 12.108 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.491 10.582 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.955 10.561 5.960 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.954 9.683 2.855 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.551 9.781 2.469 1.00 0.00 C ATOM 1066 C LEU A 72 -8.340 10.911 1.466 1.00 0.00 C ATOM 1067 O LEU A 72 -8.864 10.873 0.352 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.072 8.457 1.871 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.642 8.444 1.328 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.661 8.037 2.417 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.534 7.508 0.133 1.00 0.00 C ATOM 0 H LEU A 72 -10.577 9.379 2.106 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.968 10.000 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.156 7.685 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.749 8.180 1.063 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.390 9.452 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.649 8.033 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.719 8.746 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.911 7.039 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.510 7.511 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.806 6.497 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.208 7.844 -0.655 1.00 0.00 H new ATOM 1083 N THR A 73 -7.567 11.915 1.868 1.00 0.00 N ATOM 1084 CA THR A 73 -7.286 13.055 1.004 1.00 0.00 C ATOM 1085 C THR A 73 -5.842 13.031 0.515 1.00 0.00 C ATOM 1086 O THR A 73 -4.959 13.639 1.122 1.00 0.00 O ATOM 1087 CB THR A 73 -7.547 14.388 1.731 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.674 14.258 2.604 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.799 15.508 0.733 1.00 0.00 C ATOM 0 H THR A 73 -7.125 11.962 2.786 1.00 0.00 H new ATOM 0 HA THR A 73 -7.958 12.977 0.149 1.00 0.00 H new ATOM 0 HB THR A 73 -6.662 14.636 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.832 15.109 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.981 16.439 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.927 15.624 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.670 15.264 0.124 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.608 12.326 -0.586 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.270 12.223 -1.159 1.00 0.00 C ATOM 1099 C LEU A 74 -3.877 13.519 -1.862 1.00 0.00 C ATOM 1100 O LEU A 74 -4.212 13.730 -3.027 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.203 11.055 -2.144 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.873 9.688 -1.543 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.222 8.577 -2.521 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.404 9.618 -1.154 1.00 0.00 C ATOM 0 H LEU A 74 -6.327 11.817 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.567 12.045 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.162 10.982 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.454 11.287 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.473 9.553 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.980 7.612 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.287 8.615 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.649 8.707 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.187 8.638 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.786 9.775 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.186 10.391 -0.417 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.164 14.382 -1.145 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.724 15.656 -1.701 1.00 0.00 C ATOM 1118 C ARG A 75 -1.434 15.486 -2.497 1.00 0.00 C ATOM 1119 O ARG A 75 -0.630 14.600 -2.211 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.516 16.679 -0.583 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.637 16.697 0.443 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.345 17.676 1.570 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.567 18.249 2.128 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.579 19.117 3.133 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.441 19.511 3.688 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.732 19.595 3.585 1.00 0.00 N ATOM 0 H ARG A 75 -2.879 14.222 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.500 16.017 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.575 16.465 -0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.422 17.672 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.573 16.970 -0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.771 15.697 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.791 17.166 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.706 18.477 1.198 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.460 17.967 1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.553 19.147 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.454 20.178 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.610 19.296 3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.740 20.262 4.357 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.244 16.342 -3.496 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.052 16.285 -4.334 1.00 0.00 C ATOM 1142 C GLN A 76 0.095 14.911 -4.978 1.00 0.00 C ATOM 1143 O GLN A 76 1.064 14.194 -4.723 1.00 0.00 O ATOM 1144 CB GLN A 76 1.194 16.610 -3.508 1.00 0.00 C ATOM 1145 CG GLN A 76 1.255 18.056 -3.043 1.00 0.00 C ATOM 1146 CD GLN A 76 2.676 18.572 -2.926 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.077 19.087 -1.882 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.445 18.436 -4.000 1.00 0.00 N ATOM 0 H GLN A 76 -1.900 17.083 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.159 17.027 -5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.223 15.955 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.081 16.390 -4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.702 18.682 -3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.760 18.144 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.070 18.003 -4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.410 18.765 -3.981 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.871 14.548 -5.815 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.849 13.259 -6.496 1.00 0.00 C ATOM 1159 C LEU A 77 -0.022 13.333 -7.776 1.00 0.00 C ATOM 1160 O LEU A 77 0.534 14.379 -8.107 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.274 12.807 -6.822 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.080 12.235 -5.655 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.569 12.290 -5.957 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.646 10.807 -5.358 1.00 0.00 C ATOM 0 H LEU A 77 -1.679 15.129 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.387 12.532 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.819 13.658 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.224 12.053 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.887 12.844 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.126 11.879 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.869 13.325 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.780 11.706 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.230 10.415 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.809 10.186 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.588 10.795 -5.097 1.00 0.00 H new ATOM 1176 N ALA A 78 0.052 12.216 -8.492 1.00 0.00 N ATOM 1177 CA ALA A 78 0.807 12.156 -9.737 1.00 0.00 C ATOM 1178 C ALA A 78 0.115 11.255 -10.756 1.00 0.00 C ATOM 1179 O ALA A 78 -0.655 10.365 -10.391 1.00 0.00 O ATOM 1180 CB ALA A 78 2.223 11.666 -9.473 1.00 0.00 C ATOM 0 H ALA A 78 -0.402 11.341 -8.231 1.00 0.00 H new ATOM 0 HA ALA A 78 0.854 13.162 -10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.775 11.626 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.723 12.350 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.187 10.670 -9.031 1.00 0.00 H new ATOM 1186 N LEU A 79 0.393 11.492 -12.033 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.203 10.702 -13.105 1.00 0.00 C ATOM 1188 C LEU A 79 0.152 9.226 -12.956 1.00 0.00 C ATOM 1189 O LEU A 79 -0.515 8.356 -13.516 1.00 0.00 O ATOM 1190 CB LEU A 79 0.268 11.217 -14.466 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.328 12.549 -14.923 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.445 13.099 -16.112 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.800 12.383 -15.272 1.00 0.00 C ATOM 0 H LEU A 79 1.027 12.225 -12.352 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.286 10.804 -13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.353 11.318 -14.438 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.037 10.462 -15.217 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.248 13.262 -14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.007 14.047 -16.424 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.486 13.256 -15.828 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.397 12.389 -16.937 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.208 13.341 -15.595 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.903 11.655 -16.076 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.345 12.034 -14.395 1.00 0.00 H new ATOM 1205 N LYS A 80 1.205 8.950 -12.195 1.00 0.00 N ATOM 1206 CA LYS A 80 1.647 7.579 -11.968 1.00 0.00 C ATOM 1207 C LYS A 80 0.920 6.963 -10.777 1.00 0.00 C ATOM 1208 O LYS A 80 1.248 5.859 -10.341 1.00 0.00 O ATOM 1209 CB LYS A 80 3.159 7.542 -11.731 1.00 0.00 C ATOM 1210 CG LYS A 80 3.604 8.340 -10.518 1.00 0.00 C ATOM 1211 CD LYS A 80 4.950 9.006 -10.752 1.00 0.00 C ATOM 1212 CE LYS A 80 5.593 9.439 -9.443 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.962 9.987 -9.652 1.00 0.00 N ATOM 0 H LYS A 80 1.769 9.658 -11.725 1.00 0.00 H new ATOM 0 HA LYS A 80 1.410 6.995 -12.857 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.474 6.506 -11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.666 7.928 -12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.857 9.099 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.668 7.682 -9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.613 8.316 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.820 9.873 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.969 10.194 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.642 8.588 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.366 10.271 -8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.565 9.259 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.913 10.815 -10.280 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.068 7.682 -10.256 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.843 7.205 -9.117 1.00 0.00 C ATOM 1229 C ASP A 81 -2.153 6.573 -9.578 1.00 0.00 C ATOM 1230 O ASP A 81 -2.774 5.802 -8.846 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.129 8.354 -8.149 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.207 7.892 -6.708 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.163 7.478 -6.160 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.311 7.944 -6.127 1.00 0.00 O ATOM 0 H ASP A 81 -0.351 8.598 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.255 6.445 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.347 9.108 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.069 8.832 -8.425 1.00 0.00 H new ATOM 1239 N SER A 82 -2.569 6.907 -10.795 1.00 0.00 N ATOM 1240 CA SER A 82 -3.808 6.377 -11.352 1.00 0.00 C ATOM 1241 C SER A 82 -3.843 4.855 -11.247 1.00 0.00 C ATOM 1242 O SER A 82 -3.123 4.156 -11.958 1.00 0.00 O ATOM 1243 CB SER A 82 -3.958 6.802 -12.814 1.00 0.00 C ATOM 1244 OG SER A 82 -2.700 6.847 -13.464 1.00 0.00 O ATOM 0 H SER A 82 -2.066 7.542 -11.415 1.00 0.00 H new ATOM 0 HA SER A 82 -4.639 6.783 -10.776 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.614 6.104 -13.333 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.432 7.782 -12.864 1.00 0.00 H new ATOM 0 HG SER A 82 -2.286 7.723 -13.315 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.688 4.349 -10.354 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.803 2.914 -10.171 1.00 0.00 C ATOM 1252 C GLY A 83 -6.119 2.514 -9.533 1.00 0.00 C ATOM 1253 O GLY A 83 -7.188 2.754 -10.095 1.00 0.00 O ATOM 0 H GLY A 83 -5.295 4.907 -9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.706 2.419 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.980 2.563 -9.549 1.00 0.00 H new ATOM 1257 N THR A 84 -6.042 1.900 -8.357 1.00 0.00 N ATOM 1258 CA THR A 84 -7.236 1.463 -7.644 1.00 0.00 C ATOM 1259 C THR A 84 -6.978 1.371 -6.144 1.00 0.00 C ATOM 1260 O THR A 84 -6.226 0.510 -5.686 1.00 0.00 O ATOM 1261 CB THR A 84 -7.725 0.094 -8.153 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.865 0.123 -9.578 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.055 -0.277 -7.515 1.00 0.00 C ATOM 0 H THR A 84 -5.165 1.694 -7.878 1.00 0.00 H new ATOM 0 HA THR A 84 -8.007 2.210 -7.833 1.00 0.00 H new ATOM 0 HB THR A 84 -6.985 -0.657 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.175 -0.751 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.380 -1.248 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.938 -0.327 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.801 0.477 -7.765 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.605 2.263 -5.385 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.444 2.281 -3.937 1.00 0.00 C ATOM 1273 C ILE A 85 -7.920 0.972 -3.314 1.00 0.00 C ATOM 1274 O ILE A 85 -9.105 0.643 -3.366 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.217 3.450 -3.298 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.734 4.783 -3.874 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.054 3.430 -1.786 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.290 5.095 -3.549 1.00 0.00 C ATOM 0 H ILE A 85 -8.229 2.983 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.380 2.409 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.276 3.337 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.859 4.768 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.365 5.585 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.606 4.262 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.441 2.491 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.998 3.523 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.017 6.054 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.163 5.143 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.648 4.313 -3.956 1.00 0.00 H new ATOM 1290 N TYR A 86 -6.989 0.231 -2.725 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.312 -1.042 -2.093 1.00 0.00 C ATOM 1292 C TYR A 86 -7.352 -0.902 -0.574 1.00 0.00 C ATOM 1293 O TYR A 86 -6.357 -1.142 0.110 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.289 -2.108 -2.491 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.543 -2.711 -3.854 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.609 -3.576 -4.065 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.716 -2.415 -4.931 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.844 -4.130 -5.309 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.945 -2.963 -6.178 1.00 0.00 C ATOM 1300 CZ TYR A 86 -7.009 -3.820 -6.362 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.241 -4.369 -7.603 1.00 0.00 O ATOM 0 H TYR A 86 -6.004 0.490 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.299 -1.349 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.293 -1.666 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.295 -2.902 -1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.265 -3.820 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.880 -1.745 -4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.677 -4.802 -5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.294 -2.721 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.563 -4.049 -8.234 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.510 -0.511 -0.053 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.682 -0.338 1.385 1.00 0.00 C ATOM 1313 C PHE A 87 -8.598 -1.679 2.108 1.00 0.00 C ATOM 1314 O PHE A 87 -8.948 -2.719 1.551 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.025 0.332 1.683 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.305 0.486 3.150 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.694 1.490 3.884 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.181 -0.372 3.796 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.950 1.633 5.235 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.441 -0.233 5.146 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.825 0.772 5.866 1.00 0.00 C ATOM 0 H PHE A 87 -9.343 -0.308 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.877 0.301 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.044 1.315 1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.823 -0.254 1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.010 2.168 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.666 -1.159 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.466 2.418 5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.125 -0.909 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.028 0.884 6.921 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.131 -1.646 3.353 1.00 0.00 N ATOM 1332 CA GLU A 88 -8.000 -2.859 4.151 1.00 0.00 C ATOM 1333 C GLU A 88 -8.537 -2.641 5.563 1.00 0.00 C ATOM 1334 O GLU A 88 -8.236 -1.635 6.205 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.536 -3.300 4.213 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.180 -4.370 3.195 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.695 -4.675 3.166 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.091 -4.789 4.254 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.136 -4.800 2.056 1.00 0.00 O ATOM 0 H GLU A 88 -7.838 -0.793 3.830 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.588 -3.643 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.897 -2.432 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.320 -3.676 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.730 -5.282 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.500 -4.045 2.205 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.334 -3.592 6.040 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.912 -3.505 7.375 1.00 0.00 C ATOM 1348 C ALA A 89 -10.466 -4.854 7.822 1.00 0.00 C ATOM 1349 O ALA A 89 -11.587 -5.222 7.473 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.004 -2.446 7.410 1.00 0.00 C ATOM 0 H ALA A 89 -9.594 -4.431 5.522 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.121 -3.218 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.427 -2.392 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.581 -1.478 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.788 -2.708 6.700 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.672 -5.588 8.596 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.101 -6.888 9.076 1.00 0.00 C ATOM 1358 C GLY A 90 -9.948 -7.973 8.028 1.00 0.00 C ATOM 1359 O GLY A 90 -8.832 -8.331 7.654 1.00 0.00 O ATOM 0 H GLY A 90 -8.740 -5.305 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.520 -7.156 9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.144 -6.831 9.386 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.073 -8.498 7.555 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.060 -9.549 6.544 1.00 0.00 C ATOM 1365 C ASP A 91 -11.716 -9.069 5.253 1.00 0.00 C ATOM 1366 O ASP A 91 -12.032 -9.869 4.373 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.779 -10.795 7.064 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.905 -11.628 7.980 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.906 -11.367 9.201 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -10.220 -12.542 7.476 1.00 0.00 O ATOM 0 H ASP A 91 -12.005 -8.213 7.855 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.021 -9.801 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.679 -10.494 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.100 -11.405 6.219 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.918 -7.760 5.149 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.538 -7.175 3.967 1.00 0.00 C ATOM 1377 C GLN A 92 -11.521 -6.380 3.155 1.00 0.00 C ATOM 1378 O GLN A 92 -10.355 -6.272 3.538 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.704 -6.271 4.371 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.892 -7.028 4.943 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.699 -7.740 3.875 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.427 -7.110 3.107 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.574 -9.061 3.821 1.00 0.00 N ATOM 0 H GLN A 92 -11.661 -7.085 5.869 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.915 -7.988 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.354 -5.549 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.031 -5.703 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.537 -7.757 5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.538 -6.332 5.478 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.959 -9.542 4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.093 -9.594 3.123 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.968 -5.826 2.033 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.096 -5.042 1.167 1.00 0.00 C ATOM 1394 C ARG A 93 -11.905 -4.308 0.101 1.00 0.00 C ATOM 1395 O ARG A 93 -12.604 -4.930 -0.699 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.057 -5.946 0.501 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.778 -5.222 0.114 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.942 -6.046 -0.852 1.00 0.00 C ATOM 1399 NE ARG A 93 -6.673 -6.462 -0.260 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.546 -7.511 0.544 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.605 -8.248 0.851 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.357 -7.826 1.043 1.00 0.00 N ATOM 0 H ARG A 93 -12.930 -5.906 1.702 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.584 -4.303 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.811 -6.763 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.495 -6.393 -0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.025 -4.264 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.195 -5.007 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.505 -6.927 -1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.748 -5.463 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.839 -5.917 -0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.520 -8.010 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.504 -9.053 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.540 -7.262 0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.260 -8.632 1.661 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.805 -2.983 0.098 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.525 -2.165 -0.870 1.00 0.00 C ATOM 1418 C ALA A 94 -11.706 -1.970 -2.142 1.00 0.00 C ATOM 1419 O ALA A 94 -10.534 -2.341 -2.200 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.884 -0.819 -0.260 1.00 0.00 C ATOM 0 H ALA A 94 -11.232 -2.453 0.755 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.444 -2.687 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.421 -0.219 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.515 -0.973 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.973 -0.299 0.037 1.00 0.00 H new ATOM 1426 N SER A 95 -12.332 -1.388 -3.159 1.00 0.00 N ATOM 1427 CA SER A 95 -11.663 -1.148 -4.432 1.00 0.00 C ATOM 1428 C SER A 95 -12.371 -0.050 -5.221 1.00 0.00 C ATOM 1429 O SER A 95 -13.483 -0.242 -5.711 1.00 0.00 O ATOM 1430 CB SER A 95 -11.615 -2.435 -5.258 1.00 0.00 C ATOM 1431 OG SER A 95 -12.914 -2.968 -5.446 1.00 0.00 O ATOM 0 H SER A 95 -13.302 -1.074 -3.126 1.00 0.00 H new ATOM 0 HA SER A 95 -10.645 -0.821 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.158 -2.233 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.986 -3.170 -4.756 1.00 0.00 H new ATOM 0 HG SER A 95 -13.546 -2.238 -5.613 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.718 1.101 -5.337 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.283 2.230 -6.067 1.00 0.00 C ATOM 1439 C ALA A 96 -11.384 2.637 -7.230 1.00 0.00 C ATOM 1440 O ALA A 96 -10.159 2.589 -7.126 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.502 3.408 -5.129 1.00 0.00 C ATOM 0 H ALA A 96 -10.797 1.277 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.245 1.922 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.924 4.244 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.190 3.118 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.549 3.707 -4.692 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.002 3.037 -8.337 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.257 3.453 -9.518 1.00 0.00 C ATOM 1449 C ALA A 97 -10.592 4.808 -9.299 1.00 0.00 C ATOM 1450 O ALA A 97 -11.234 5.853 -9.420 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.176 3.504 -10.730 1.00 0.00 C ATOM 0 H ALA A 97 -13.016 3.081 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.473 2.718 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.607 3.816 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.600 2.516 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.980 4.217 -10.547 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.304 4.784 -8.975 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.552 6.011 -8.738 1.00 0.00 C ATOM 1459 C LEU A 98 -7.990 6.566 -10.043 1.00 0.00 C ATOM 1460 O LEU A 98 -6.911 6.170 -10.484 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.414 5.752 -7.749 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.319 6.817 -7.692 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.929 8.204 -7.556 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.363 6.538 -6.541 1.00 0.00 C ATOM 0 H LEU A 98 -8.759 3.928 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.233 6.749 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.843 5.647 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.952 4.797 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.755 6.780 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.134 8.949 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.572 8.404 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.518 8.254 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.590 7.306 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.914 6.546 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.900 5.561 -6.681 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.727 7.486 -10.655 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.302 8.097 -11.909 1.00 0.00 C ATOM 1478 C ARG A 99 -7.614 9.435 -11.656 1.00 0.00 C ATOM 1479 O ARG A 99 -8.032 10.207 -10.793 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.501 8.295 -12.837 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.092 6.993 -13.356 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.239 7.247 -14.321 1.00 0.00 C ATOM 1483 NE ARG A 99 -11.368 6.180 -15.310 1.00 0.00 N ATOM 1484 CZ ARG A 99 -11.900 4.992 -15.043 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -12.349 4.721 -13.826 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -11.983 4.073 -15.996 1.00 0.00 N ATOM 0 H ARG A 99 -9.622 7.825 -10.303 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.589 7.426 -12.387 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.274 8.848 -12.304 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.196 8.909 -13.684 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.316 6.414 -13.856 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.447 6.393 -12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.170 7.337 -13.762 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.080 8.197 -14.831 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.032 6.356 -16.257 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.287 5.425 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.757 3.808 -13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.638 4.278 -16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.391 3.161 -15.791 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.557 9.704 -12.416 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.811 10.949 -12.275 1.00 0.00 C ATOM 1502 C VAL A 100 -5.272 11.422 -13.620 1.00 0.00 C ATOM 1503 O VAL A 100 -4.320 10.854 -14.155 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.637 10.793 -11.290 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.844 12.087 -11.195 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.144 10.366 -9.921 1.00 0.00 C ATOM 0 H VAL A 100 -6.198 9.076 -13.136 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.507 11.691 -11.884 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.972 10.015 -11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.019 11.958 -10.495 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.449 12.345 -12.178 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.495 12.888 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.301 10.260 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.831 11.120 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.663 9.411 -10.007 1.00 0.00 H new ATOM 1516 N THR A 101 -5.888 12.468 -14.163 1.00 0.00 N ATOM 1517 CA THR A 101 -5.471 13.018 -15.447 1.00 0.00 C ATOM 1518 C THR A 101 -4.391 14.080 -15.266 1.00 0.00 C ATOM 1519 O THR A 101 -4.037 14.430 -14.141 1.00 0.00 O ATOM 1520 CB THR A 101 -6.660 13.636 -16.207 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.128 14.801 -15.519 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.794 12.632 -16.344 1.00 0.00 C ATOM 0 H THR A 101 -6.677 12.951 -13.733 1.00 0.00 H new ATOM 0 HA THR A 101 -5.068 12.189 -16.029 1.00 0.00 H new ATOM 0 HB THR A 101 -6.321 13.915 -17.204 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.883 15.189 -16.009 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.623 13.090 -16.884 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.442 11.758 -16.893 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.131 12.326 -15.353 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.874 14.587 -16.380 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.834 15.609 -16.343 1.00 0.00 C ATOM 1532 C GLU A 102 -3.309 16.840 -15.577 1.00 0.00 C ATOM 1533 O GLU A 102 -4.492 16.971 -15.261 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.425 16.004 -17.763 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.253 15.203 -18.304 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.306 15.036 -19.810 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -2.398 14.736 -20.336 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.254 15.205 -20.463 1.00 0.00 O ATOM 0 H GLU A 102 -4.158 14.307 -17.319 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.969 15.193 -15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.280 15.875 -18.427 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.167 17.063 -17.777 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.322 15.699 -18.030 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.242 14.220 -17.833 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.379 17.741 -15.282 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.700 18.963 -14.554 1.00 0.00 C ATOM 1547 C LYS A 103 -2.204 20.193 -15.309 1.00 0.00 C ATOM 1548 O LYS A 103 -1.295 20.118 -16.136 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.080 18.927 -13.156 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.615 19.328 -13.129 1.00 0.00 C ATOM 1551 CD LYS A 103 0.269 18.252 -13.737 1.00 0.00 C ATOM 1552 CE LYS A 103 0.957 18.745 -15.001 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.326 18.177 -15.145 1.00 0.00 N ATOM 0 H LYS A 103 -1.396 17.648 -15.536 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.784 19.026 -14.463 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.642 19.593 -12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.180 17.921 -12.749 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.482 20.261 -13.676 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.307 19.515 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.020 17.942 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.333 17.373 -13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.358 18.473 -15.870 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.016 19.833 -14.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.761 18.537 -16.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.906 18.457 -14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.269 17.140 -15.189 1.00 0.00 H new