USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 739 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 67 ASN : amide:sc= -0.401 K(o=-0.45,f=-6.2!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.0475 X(o=-0.45,f=-0.37) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.527 USER MOD Set 2.2: A 75 THR OG1 : rot -62:sc= 0.606 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.337 USER MOD Set 3.2: A 30 ASN : amide:sc= 0 X(o=0.33,f=0.14) USER MOD Set 3.3: A 31 SER OG : rot 180:sc=-0.00233 USER MOD Set 4.1: A 25 THR OG1 : rot -106:sc= 0.811 USER MOD Set 4.2: A 35 SER OG : rot 70:sc= 1.73 USER MOD Single : A 20 SER OG : rot -170:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 44:sc= 1.13 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 20:sc= 0.948 USER MOD Single : A 60 ASN : amide:sc= -0.0705 X(o=-0.07,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 1.03 K(o=1,f=-7.5!) USER MOD Single : A 83 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 85 TYR OH : rot 165:sc= 0.683 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.1! C(o=-3.1!,f=-9.3!) USER MOD Single : A 95 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.5) USER MOD Single : A 98 SER OG : rot 67:sc= 1.86 USER MOD Single : A 101 SER OG : rot 125:sc= 0.736 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -148:sc= 1.45 USER MOD Single : A 110 GLN : amide:sc= 1.11 K(o=1.1,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 9.454 0.735 -1.944 1.00 0.00 N ATOM 178 CA LEU A 15 8.047 0.939 -2.258 1.00 0.00 C ATOM 179 C LEU A 15 7.542 2.189 -1.512 1.00 0.00 C ATOM 180 O LEU A 15 8.178 2.616 -0.548 1.00 0.00 O ATOM 181 CB LEU A 15 7.281 -0.324 -1.814 1.00 0.00 C ATOM 182 CG LEU A 15 7.388 -1.460 -2.849 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.048 -2.790 -2.187 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.431 -1.263 -4.035 1.00 0.00 C ATOM 0 HA LEU A 15 7.894 1.099 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.673 -0.668 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.232 -0.075 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 15 8.412 -1.452 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.124 -3.592 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.745 -2.978 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.031 -2.752 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.545 -2.090 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.403 -1.234 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.665 -0.325 -4.539 1.00 0.00 H new ATOM 196 N PRO A 16 6.405 2.772 -1.914 1.00 0.00 N ATOM 197 CA PRO A 16 5.838 3.945 -1.272 1.00 0.00 C ATOM 198 C PRO A 16 5.528 3.654 0.193 1.00 0.00 C ATOM 199 O PRO A 16 4.985 2.588 0.512 1.00 0.00 O ATOM 200 CB PRO A 16 4.540 4.264 -2.027 1.00 0.00 C ATOM 201 CG PRO A 16 4.657 3.472 -3.321 1.00 0.00 C ATOM 202 CD PRO A 16 5.534 2.287 -2.952 1.00 0.00 C ATOM 0 HA PRO A 16 6.535 4.782 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.662 3.964 -1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.444 5.332 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.680 3.148 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.107 4.069 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.934 1.447 -2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.104 1.936 -3.812 1.00 0.00 H new ATOM 210 N GLY A 17 5.751 4.650 1.050 1.00 0.00 N ATOM 211 CA GLY A 17 5.146 4.677 2.363 1.00 0.00 C ATOM 212 C GLY A 17 3.624 4.578 2.197 1.00 0.00 C ATOM 213 O GLY A 17 3.064 5.150 1.245 1.00 0.00 O ATOM 0 H GLY A 17 6.352 5.449 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.516 3.849 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.412 5.597 2.884 1.00 0.00 H new ATOM 217 N PRO A 18 2.928 3.861 3.094 1.00 0.00 N ATOM 218 CA PRO A 18 1.504 3.613 2.949 1.00 0.00 C ATOM 219 C PRO A 18 0.730 4.938 2.978 1.00 0.00 C ATOM 220 O PRO A 18 1.151 5.876 3.670 1.00 0.00 O ATOM 221 CB PRO A 18 1.113 2.660 4.082 1.00 0.00 C ATOM 222 CG PRO A 18 2.250 2.788 5.093 1.00 0.00 C ATOM 223 CD PRO A 18 3.463 3.188 4.261 1.00 0.00 C ATOM 0 HA PRO A 18 1.258 3.154 1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.156 2.938 4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.013 1.636 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.024 3.539 5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.422 1.848 5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.125 3.846 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.049 2.314 3.976 1.00 0.00 H new ATOM 231 N PRO A 19 -0.377 5.049 2.220 1.00 0.00 N ATOM 232 CA PRO A 19 -1.210 6.244 2.251 1.00 0.00 C ATOM 233 C PRO A 19 -1.842 6.407 3.640 1.00 0.00 C ATOM 234 O PRO A 19 -1.964 5.435 4.391 1.00 0.00 O ATOM 235 CB PRO A 19 -2.265 6.056 1.154 1.00 0.00 C ATOM 236 CG PRO A 19 -2.238 4.569 0.785 1.00 0.00 C ATOM 237 CD PRO A 19 -1.019 3.970 1.480 1.00 0.00 C ATOM 0 HA PRO A 19 -0.636 7.153 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.252 6.351 1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.040 6.676 0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.152 4.072 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.171 4.439 -0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.315 3.165 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.332 3.540 0.751 1.00 0.00 H new ATOM 245 N SER A 20 -2.244 7.631 3.979 1.00 0.00 N ATOM 246 CA SER A 20 -2.935 7.928 5.230 1.00 0.00 C ATOM 247 C SER A 20 -4.336 7.307 5.226 1.00 0.00 C ATOM 248 O SER A 20 -4.847 6.932 4.165 1.00 0.00 O ATOM 249 CB SER A 20 -3.039 9.449 5.392 1.00 0.00 C ATOM 250 OG SER A 20 -1.786 10.071 5.169 1.00 0.00 O ATOM 0 H SER A 20 -2.098 8.449 3.388 1.00 0.00 H new ATOM 0 HA SER A 20 -2.373 7.505 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.774 9.843 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.394 9.688 6.394 1.00 0.00 H new ATOM 0 HG SER A 20 -1.838 11.014 5.430 1.00 0.00 H new ATOM 256 N LYS A 21 -4.979 7.255 6.402 1.00 0.00 N ATOM 257 CA LYS A 21 -6.375 6.852 6.558 1.00 0.00 C ATOM 258 C LYS A 21 -7.226 7.561 5.501 1.00 0.00 C ATOM 259 O LYS A 21 -7.214 8.793 5.454 1.00 0.00 O ATOM 260 CB LYS A 21 -6.860 7.168 7.983 1.00 0.00 C ATOM 261 CG LYS A 21 -8.189 6.460 8.285 1.00 0.00 C ATOM 262 CD LYS A 21 -8.907 7.122 9.463 1.00 0.00 C ATOM 263 CE LYS A 21 -10.169 6.348 9.847 1.00 0.00 C ATOM 264 NZ LYS A 21 -10.952 7.080 10.862 1.00 0.00 N ATOM 0 H LYS A 21 -4.530 7.498 7.285 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.471 5.776 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.106 6.855 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.984 8.245 8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.829 6.487 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.003 5.410 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.235 7.174 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.171 8.147 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.781 6.182 8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.894 5.366 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.803 6.533 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.373 7.217 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.233 8.007 10.482 1.00 0.00 H new ATOM 278 N PRO A 22 -7.948 6.824 4.638 1.00 0.00 N ATOM 279 CA PRO A 22 -8.893 7.448 3.736 1.00 0.00 C ATOM 280 C PRO A 22 -9.952 8.181 4.558 1.00 0.00 C ATOM 281 O PRO A 22 -10.362 7.711 5.625 1.00 0.00 O ATOM 282 CB PRO A 22 -9.497 6.320 2.887 1.00 0.00 C ATOM 283 CG PRO A 22 -8.711 5.056 3.246 1.00 0.00 C ATOM 284 CD PRO A 22 -8.008 5.375 4.556 1.00 0.00 C ATOM 0 HA PRO A 22 -8.427 8.185 3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.558 6.194 3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.412 6.544 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.375 4.198 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.992 4.805 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.554 4.959 5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.008 4.942 4.577 1.00 0.00 H new ATOM 292 N GLN A 23 -10.437 9.297 4.031 1.00 0.00 N ATOM 293 CA GLN A 23 -11.514 10.084 4.590 1.00 0.00 C ATOM 294 C GLN A 23 -12.707 10.014 3.664 1.00 0.00 C ATOM 295 O GLN A 23 -12.606 10.290 2.468 1.00 0.00 O ATOM 296 CB GLN A 23 -11.080 11.527 4.855 1.00 0.00 C ATOM 297 CG GLN A 23 -10.121 11.589 6.053 1.00 0.00 C ATOM 298 CD GLN A 23 -10.712 12.441 7.165 1.00 0.00 C ATOM 299 OE1 GLN A 23 -10.518 13.657 7.178 1.00 0.00 O ATOM 300 NE2 GLN A 23 -11.498 11.843 8.050 1.00 0.00 N ATOM 0 H GLN A 23 -10.071 9.691 3.164 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.795 9.670 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.592 11.935 3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.956 12.146 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.926 10.582 6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.163 12.004 5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.636 10.833 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.965 12.393 8.771 1.00 0.00 H new ATOM 309 N VAL A 24 -13.823 9.607 4.239 1.00 0.00 N ATOM 310 CA VAL A 24 -15.122 9.529 3.610 1.00 0.00 C ATOM 311 C VAL A 24 -15.675 10.947 3.642 1.00 0.00 C ATOM 312 O VAL A 24 -15.903 11.490 4.727 1.00 0.00 O ATOM 313 CB VAL A 24 -15.938 8.483 4.395 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.451 8.561 4.150 1.00 0.00 C ATOM 315 CG2 VAL A 24 -15.386 7.097 4.019 1.00 0.00 C ATOM 0 H VAL A 24 -13.845 9.305 5.213 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.129 9.199 2.571 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.824 8.683 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.955 7.793 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.817 9.544 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.657 8.401 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.940 6.327 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.495 6.941 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.331 7.040 4.288 1.00 0.00 H new ATOM 325 N THR A 25 -15.815 11.572 2.475 1.00 0.00 N ATOM 326 CA THR A 25 -16.313 12.935 2.362 1.00 0.00 C ATOM 327 C THR A 25 -17.773 12.875 1.912 1.00 0.00 C ATOM 328 O THR A 25 -18.667 12.883 2.762 1.00 0.00 O ATOM 329 CB THR A 25 -15.364 13.786 1.495 1.00 0.00 C ATOM 330 OG1 THR A 25 -14.994 13.127 0.290 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.086 14.128 2.269 1.00 0.00 C ATOM 0 H THR A 25 -15.584 11.143 1.579 1.00 0.00 H new ATOM 0 HA THR A 25 -16.316 13.456 3.320 1.00 0.00 H new ATOM 0 HB THR A 25 -15.912 14.694 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.067 12.815 0.359 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.429 14.729 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.344 14.691 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.575 13.208 2.552 1.00 0.00 H new ATOM 339 N ASP A 26 -18.026 12.734 0.613 1.00 0.00 N ATOM 340 CA ASP A 26 -19.360 12.493 0.083 1.00 0.00 C ATOM 341 C ASP A 26 -19.706 11.028 0.336 1.00 0.00 C ATOM 342 O ASP A 26 -18.844 10.167 0.160 1.00 0.00 O ATOM 343 CB ASP A 26 -19.406 12.826 -1.412 1.00 0.00 C ATOM 344 CG ASP A 26 -20.827 12.870 -1.983 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.504 11.815 -2.028 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.267 13.958 -2.418 1.00 0.00 O ATOM 0 H ASP A 26 -17.303 12.785 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.091 13.132 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.926 13.791 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.825 12.084 -1.960 1.00 0.00 H new ATOM 351 N VAL A 27 -20.939 10.720 0.728 1.00 0.00 N ATOM 352 CA VAL A 27 -21.472 9.360 0.722 1.00 0.00 C ATOM 353 C VAL A 27 -22.894 9.407 0.184 1.00 0.00 C ATOM 354 O VAL A 27 -23.635 10.353 0.458 1.00 0.00 O ATOM 355 CB VAL A 27 -21.358 8.703 2.118 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.217 9.375 3.198 1.00 0.00 C ATOM 357 CG2 VAL A 27 -21.751 7.217 2.094 1.00 0.00 C ATOM 0 H VAL A 27 -21.605 11.416 1.063 1.00 0.00 H new ATOM 0 HA VAL A 27 -20.882 8.721 0.065 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.305 8.826 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.081 8.856 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.914 10.416 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.267 9.331 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -21.655 6.799 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -22.783 7.119 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.094 6.678 1.412 1.00 0.00 H new ATOM 367 N THR A 28 -23.307 8.372 -0.537 1.00 0.00 N ATOM 368 CA THR A 28 -24.650 8.238 -1.080 1.00 0.00 C ATOM 369 C THR A 28 -25.229 6.900 -0.624 1.00 0.00 C ATOM 370 O THR A 28 -24.623 6.164 0.162 1.00 0.00 O ATOM 371 CB THR A 28 -24.656 8.407 -2.616 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.354 7.197 -3.265 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.698 9.469 -3.154 1.00 0.00 C ATOM 0 H THR A 28 -22.701 7.584 -0.765 1.00 0.00 H new ATOM 0 HA THR A 28 -25.288 9.035 -0.699 1.00 0.00 H new ATOM 0 HB THR A 28 -25.672 8.737 -2.833 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.367 7.334 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.775 9.512 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 28 -23.958 10.440 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.676 9.213 -2.873 1.00 0.00 H new ATOM 381 N LYS A 29 -26.407 6.547 -1.136 1.00 0.00 N ATOM 382 CA LYS A 29 -26.980 5.223 -0.935 1.00 0.00 C ATOM 383 C LYS A 29 -26.148 4.092 -1.540 1.00 0.00 C ATOM 384 O LYS A 29 -26.403 2.937 -1.217 1.00 0.00 O ATOM 385 CB LYS A 29 -28.429 5.231 -1.429 1.00 0.00 C ATOM 386 CG LYS A 29 -28.625 5.116 -2.951 1.00 0.00 C ATOM 387 CD LYS A 29 -29.829 5.965 -3.380 1.00 0.00 C ATOM 388 CE LYS A 29 -30.282 5.722 -4.816 1.00 0.00 C ATOM 389 NZ LYS A 29 -31.339 4.702 -4.977 1.00 0.00 N ATOM 0 H LYS A 29 -26.987 7.170 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.969 5.005 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.959 4.407 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.902 6.153 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.727 5.452 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.784 4.074 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.662 5.760 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.577 7.019 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -30.641 6.664 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.417 5.422 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -31.580 4.608 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.998 3.788 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -32.184 4.991 -4.445 1.00 0.00 H new ATOM 403 N ASN A 30 -25.184 4.368 -2.424 1.00 0.00 N ATOM 404 CA ASN A 30 -24.384 3.329 -3.077 1.00 0.00 C ATOM 405 C ASN A 30 -23.112 3.874 -3.720 1.00 0.00 C ATOM 406 O ASN A 30 -22.593 3.300 -4.683 1.00 0.00 O ATOM 407 CB ASN A 30 -25.213 2.513 -4.081 1.00 0.00 C ATOM 408 CG ASN A 30 -26.136 3.300 -4.984 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.827 4.379 -5.477 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.313 2.741 -5.183 1.00 0.00 N ATOM 0 H ASN A 30 -24.937 5.317 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.066 2.653 -2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.527 1.942 -4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.812 1.792 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.007 3.208 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.529 1.841 -4.754 1.00 0.00 H new ATOM 417 N SER A 31 -22.582 4.981 -3.220 1.00 0.00 N ATOM 418 CA SER A 31 -21.302 5.543 -3.612 1.00 0.00 C ATOM 419 C SER A 31 -20.684 6.211 -2.384 1.00 0.00 C ATOM 420 O SER A 31 -21.396 6.477 -1.412 1.00 0.00 O ATOM 421 CB SER A 31 -21.487 6.553 -4.759 1.00 0.00 C ATOM 422 OG SER A 31 -22.388 6.065 -5.751 1.00 0.00 O ATOM 0 H SER A 31 -23.052 5.532 -2.502 1.00 0.00 H new ATOM 0 HA SER A 31 -20.638 4.759 -3.977 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.862 7.494 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.521 6.764 -5.217 1.00 0.00 H new ATOM 0 HG SER A 31 -22.483 6.732 -6.463 1.00 0.00 H new ATOM 428 N VAL A 32 -19.378 6.462 -2.411 1.00 0.00 N ATOM 429 CA VAL A 32 -18.671 7.214 -1.388 1.00 0.00 C ATOM 430 C VAL A 32 -17.378 7.753 -1.991 1.00 0.00 C ATOM 431 O VAL A 32 -16.679 7.037 -2.707 1.00 0.00 O ATOM 432 CB VAL A 32 -18.475 6.358 -0.115 1.00 0.00 C ATOM 433 CG1 VAL A 32 -17.999 4.921 -0.310 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.547 7.006 0.903 1.00 0.00 C ATOM 0 H VAL A 32 -18.771 6.139 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.255 8.073 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.501 6.309 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.903 4.435 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.722 4.378 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.031 4.923 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.451 6.356 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.566 7.160 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -17.959 7.967 1.212 1.00 0.00 H new ATOM 444 N THR A 33 -17.069 9.015 -1.713 1.00 0.00 N ATOM 445 CA THR A 33 -15.849 9.683 -2.123 1.00 0.00 C ATOM 446 C THR A 33 -14.816 9.495 -1.017 1.00 0.00 C ATOM 447 O THR A 33 -14.973 9.993 0.102 1.00 0.00 O ATOM 448 CB THR A 33 -16.150 11.145 -2.485 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.104 11.157 -3.545 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.884 11.845 -2.990 1.00 0.00 C ATOM 0 H THR A 33 -17.689 9.620 -1.175 1.00 0.00 H new ATOM 0 HA THR A 33 -15.426 9.251 -3.030 1.00 0.00 H new ATOM 0 HB THR A 33 -16.524 11.660 -1.600 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.310 12.083 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.116 12.880 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.121 11.823 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.513 11.331 -3.876 1.00 0.00 H new ATOM 458 N LEU A 34 -13.790 8.703 -1.323 1.00 0.00 N ATOM 459 CA LEU A 34 -12.659 8.437 -0.451 1.00 0.00 C ATOM 460 C LEU A 34 -11.548 9.413 -0.765 1.00 0.00 C ATOM 461 O LEU A 34 -11.304 9.699 -1.935 1.00 0.00 O ATOM 462 CB LEU A 34 -12.143 7.019 -0.700 1.00 0.00 C ATOM 463 CG LEU A 34 -13.097 5.929 -0.213 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.538 4.578 -0.647 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.253 5.986 1.305 1.00 0.00 C ATOM 0 H LEU A 34 -13.726 8.215 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.973 8.542 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.968 6.887 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.181 6.898 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.085 6.079 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.204 3.783 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.460 4.549 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.551 4.435 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.936 5.202 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.281 5.839 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.653 6.958 1.593 1.00 0.00 H new ATOM 477 N SER A 35 -10.874 9.881 0.285 1.00 0.00 N ATOM 478 CA SER A 35 -10.027 11.059 0.249 1.00 0.00 C ATOM 479 C SER A 35 -8.829 10.835 1.170 1.00 0.00 C ATOM 480 O SER A 35 -8.965 10.921 2.384 1.00 0.00 O ATOM 481 CB SER A 35 -10.877 12.300 0.623 1.00 0.00 C ATOM 482 OG SER A 35 -12.286 12.139 0.449 1.00 0.00 O ATOM 0 H SER A 35 -10.907 9.437 1.203 1.00 0.00 H new ATOM 0 HA SER A 35 -9.628 11.240 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.681 12.556 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.545 13.145 0.019 1.00 0.00 H new ATOM 0 HG SER A 35 -12.629 11.513 1.120 1.00 0.00 H new ATOM 488 N TRP A 36 -7.673 10.459 0.631 1.00 0.00 N ATOM 489 CA TRP A 36 -6.474 10.096 1.400 1.00 0.00 C ATOM 490 C TRP A 36 -5.332 11.046 1.050 1.00 0.00 C ATOM 491 O TRP A 36 -5.493 11.940 0.214 1.00 0.00 O ATOM 492 CB TRP A 36 -6.099 8.620 1.217 1.00 0.00 C ATOM 493 CG TRP A 36 -5.837 8.228 -0.193 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.627 8.226 -0.789 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.802 7.852 -1.216 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.772 7.882 -2.114 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.094 7.659 -2.437 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.204 7.679 -1.239 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.747 7.347 -3.635 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.871 7.361 -2.433 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.145 7.215 -3.628 1.00 0.00 C ATOM 0 H TRP A 36 -7.535 10.395 -0.378 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.690 10.209 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.212 8.406 1.813 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.905 8.001 1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.691 8.458 -0.303 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.999 7.802 -2.774 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.770 7.793 -0.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.186 7.210 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.943 7.228 -2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.667 6.999 -4.549 1.00 0.00 H new ATOM 512 N GLN A 37 -4.217 10.942 1.772 1.00 0.00 N ATOM 513 CA GLN A 37 -2.991 11.682 1.501 1.00 0.00 C ATOM 514 C GLN A 37 -1.879 10.660 1.203 1.00 0.00 C ATOM 515 O GLN A 37 -1.901 9.553 1.757 1.00 0.00 O ATOM 516 CB GLN A 37 -2.660 12.589 2.702 1.00 0.00 C ATOM 517 CG GLN A 37 -3.822 13.526 3.094 1.00 0.00 C ATOM 518 CD GLN A 37 -3.551 14.429 4.302 1.00 0.00 C ATOM 519 OE1 GLN A 37 -4.086 15.532 4.386 1.00 0.00 O ATOM 520 NE2 GLN A 37 -2.794 13.983 5.291 1.00 0.00 N ATOM 0 H GLN A 37 -4.142 10.325 2.581 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.099 12.336 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.399 11.967 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.782 13.189 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.066 14.155 2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.702 12.919 3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.350 13.067 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.654 14.555 6.124 1.00 0.00 H new ATOM 529 N PRO A 38 -0.938 10.984 0.300 1.00 0.00 N ATOM 530 CA PRO A 38 0.154 10.101 -0.079 1.00 0.00 C ATOM 531 C PRO A 38 1.217 10.049 1.021 1.00 0.00 C ATOM 532 O PRO A 38 1.534 11.062 1.658 1.00 0.00 O ATOM 533 CB PRO A 38 0.718 10.674 -1.386 1.00 0.00 C ATOM 534 CG PRO A 38 0.297 12.143 -1.381 1.00 0.00 C ATOM 535 CD PRO A 38 -0.899 12.224 -0.451 1.00 0.00 C ATOM 0 HA PRO A 38 -0.184 9.074 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.803 10.573 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.316 10.150 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.108 12.782 -1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.036 12.479 -2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.808 13.078 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.820 12.360 -1.018 1.00 0.00 H new ATOM 543 N GLY A 39 1.810 8.871 1.208 1.00 0.00 N ATOM 544 CA GLY A 39 2.961 8.680 2.061 1.00 0.00 C ATOM 545 C GLY A 39 4.234 9.182 1.389 1.00 0.00 C ATOM 546 O GLY A 39 4.240 9.590 0.223 1.00 0.00 O ATOM 0 H GLY A 39 1.491 8.013 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.811 9.208 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.067 7.622 2.302 1.00 0.00 H new ATOM 550 N THR A 40 5.321 9.123 2.147 1.00 0.00 N ATOM 551 CA THR A 40 6.656 9.473 1.709 1.00 0.00 C ATOM 552 C THR A 40 7.077 8.529 0.562 1.00 0.00 C ATOM 553 O THR A 40 6.712 7.348 0.562 1.00 0.00 O ATOM 554 CB THR A 40 7.615 9.450 2.928 1.00 0.00 C ATOM 555 OG1 THR A 40 7.646 10.731 3.552 1.00 0.00 O ATOM 556 CG2 THR A 40 9.050 9.021 2.630 1.00 0.00 C ATOM 0 H THR A 40 5.290 8.818 3.120 1.00 0.00 H new ATOM 0 HA THR A 40 6.692 10.485 1.306 1.00 0.00 H new ATOM 0 HB THR A 40 7.200 8.685 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.253 10.706 4.321 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.634 9.040 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.050 8.011 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.491 9.706 1.906 1.00 0.00 H new ATOM 564 N PRO A 41 7.862 9.041 -0.400 1.00 0.00 N ATOM 565 CA PRO A 41 8.467 8.272 -1.483 1.00 0.00 C ATOM 566 C PRO A 41 9.566 7.319 -0.983 1.00 0.00 C ATOM 567 O PRO A 41 9.755 7.119 0.219 1.00 0.00 O ATOM 568 CB PRO A 41 9.009 9.324 -2.459 1.00 0.00 C ATOM 569 CG PRO A 41 9.212 10.574 -1.622 1.00 0.00 C ATOM 570 CD PRO A 41 8.148 10.459 -0.542 1.00 0.00 C ATOM 0 HA PRO A 41 7.742 7.614 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.945 8.996 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.307 9.505 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.214 10.612 -1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.084 11.479 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.502 10.880 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.250 11.011 -0.820 1.00 0.00 H new ATOM 578 N GLY A 42 10.334 6.747 -1.907 1.00 0.00 N ATOM 579 CA GLY A 42 11.483 5.917 -1.669 1.00 0.00 C ATOM 580 C GLY A 42 12.315 5.925 -2.936 1.00 0.00 C ATOM 581 O GLY A 42 12.289 6.883 -3.712 1.00 0.00 O ATOM 0 H GLY A 42 10.147 6.867 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.062 6.295 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.178 4.902 -1.416 1.00 0.00 H new ATOM 585 N THR A 43 12.999 4.809 -3.147 1.00 0.00 N ATOM 586 CA THR A 43 13.894 4.588 -4.278 1.00 0.00 C ATOM 587 C THR A 43 13.161 4.818 -5.599 1.00 0.00 C ATOM 588 O THR A 43 13.753 5.346 -6.544 1.00 0.00 O ATOM 589 CB THR A 43 14.557 3.193 -4.170 1.00 0.00 C ATOM 590 OG1 THR A 43 15.937 3.284 -4.493 1.00 0.00 O ATOM 591 CG2 THR A 43 13.968 2.066 -5.023 1.00 0.00 C ATOM 0 H THR A 43 12.946 4.008 -2.518 1.00 0.00 H new ATOM 0 HA THR A 43 14.704 5.317 -4.254 1.00 0.00 H new ATOM 0 HB THR A 43 14.364 2.915 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.349 2.398 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.528 1.147 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.924 1.912 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.032 2.336 -6.077 1.00 0.00 H new ATOM 599 N LEU A 44 11.889 4.412 -5.669 1.00 0.00 N ATOM 600 CA LEU A 44 11.079 4.489 -6.882 1.00 0.00 C ATOM 601 C LEU A 44 9.951 5.509 -6.750 1.00 0.00 C ATOM 602 O LEU A 44 9.627 5.925 -5.631 1.00 0.00 O ATOM 603 CB LEU A 44 10.488 3.097 -7.195 1.00 0.00 C ATOM 604 CG LEU A 44 11.460 2.101 -7.847 1.00 0.00 C ATOM 605 CD1 LEU A 44 10.659 1.003 -8.547 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.426 2.726 -8.859 1.00 0.00 C ATOM 0 H LEU A 44 11.390 4.016 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 44 11.726 4.815 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.116 2.662 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.629 3.225 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 44 12.074 1.707 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.343 0.293 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.038 0.484 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.023 1.448 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.074 1.952 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.858 3.189 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.034 3.483 -8.363 1.00 0.00 H new ATOM 618 N PRO A 45 9.308 5.856 -7.880 1.00 0.00 N ATOM 619 CA PRO A 45 8.033 6.541 -7.924 1.00 0.00 C ATOM 620 C PRO A 45 6.935 5.541 -7.536 1.00 0.00 C ATOM 621 O PRO A 45 7.015 4.903 -6.486 1.00 0.00 O ATOM 622 CB PRO A 45 7.989 7.148 -9.332 1.00 0.00 C ATOM 623 CG PRO A 45 8.715 6.120 -10.198 1.00 0.00 C ATOM 624 CD PRO A 45 9.720 5.499 -9.235 1.00 0.00 C ATOM 0 HA PRO A 45 7.881 7.355 -7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.964 7.302 -9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.484 8.119 -9.364 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.028 5.375 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.209 6.588 -11.049 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.747 4.416 -9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.725 5.867 -9.440 1.00 0.00 H new ATOM 632 N ALA A 46 5.879 5.445 -8.327 1.00 0.00 N ATOM 633 CA ALA A 46 4.729 4.561 -8.175 1.00 0.00 C ATOM 634 C ALA A 46 4.020 4.535 -9.519 1.00 0.00 C ATOM 635 O ALA A 46 4.240 5.409 -10.358 1.00 0.00 O ATOM 636 CB ALA A 46 3.843 5.079 -7.050 1.00 0.00 C ATOM 0 H ALA A 46 5.795 6.029 -9.159 1.00 0.00 H new ATOM 0 HA ALA A 46 5.013 3.545 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.982 4.421 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.411 5.102 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.501 6.085 -7.291 1.00 0.00 H new ATOM 642 N SER A 47 3.183 3.534 -9.730 1.00 0.00 N ATOM 643 CA SER A 47 2.480 3.227 -10.957 1.00 0.00 C ATOM 644 C SER A 47 1.005 3.598 -10.835 1.00 0.00 C ATOM 645 O SER A 47 0.448 4.036 -11.846 1.00 0.00 O ATOM 646 CB SER A 47 2.672 1.743 -11.281 1.00 0.00 C ATOM 647 OG SER A 47 3.868 1.563 -12.012 1.00 0.00 O ATOM 0 H SER A 47 2.963 2.867 -8.991 1.00 0.00 H new ATOM 0 HA SER A 47 2.888 3.816 -11.778 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.707 1.162 -10.360 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.824 1.375 -11.858 1.00 0.00 H new ATOM 0 HG SER A 47 3.987 0.612 -12.215 1.00 0.00 H new ATOM 653 N ALA A 48 0.378 3.442 -9.660 1.00 0.00 N ATOM 654 CA ALA A 48 -1.004 3.866 -9.384 1.00 0.00 C ATOM 655 C ALA A 48 -1.325 3.642 -7.902 1.00 0.00 C ATOM 656 O ALA A 48 -0.416 3.525 -7.083 1.00 0.00 O ATOM 657 CB ALA A 48 -2.029 3.157 -10.301 1.00 0.00 C ATOM 0 H ALA A 48 0.828 3.007 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.084 4.930 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.034 3.503 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.806 3.388 -11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.970 2.079 -10.148 1.00 0.00 H new ATOM 663 N TYR A 49 -2.610 3.567 -7.569 1.00 0.00 N ATOM 664 CA TYR A 49 -3.174 3.026 -6.348 1.00 0.00 C ATOM 665 C TYR A 49 -4.269 2.016 -6.732 1.00 0.00 C ATOM 666 O TYR A 49 -4.693 1.955 -7.891 1.00 0.00 O ATOM 667 CB TYR A 49 -3.704 4.174 -5.455 1.00 0.00 C ATOM 668 CG TYR A 49 -2.648 5.060 -4.809 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.144 6.190 -5.481 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.196 4.779 -3.507 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.151 6.989 -4.880 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.186 5.552 -2.912 1.00 0.00 C ATOM 673 CZ TYR A 49 -0.631 6.642 -3.610 1.00 0.00 C ATOM 674 OH TYR A 49 0.358 7.387 -3.034 1.00 0.00 O ATOM 0 H TYR A 49 -3.336 3.911 -8.198 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.417 2.505 -5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.359 4.804 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.318 3.740 -4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.520 6.445 -6.461 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.632 3.958 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.786 7.868 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.835 5.311 -1.920 1.00 0.00 H new ATOM 0 HH TYR A 49 0.591 7.003 -2.163 1.00 0.00 H new ATOM 684 N ILE A 50 -4.746 1.257 -5.754 1.00 0.00 N ATOM 685 CA ILE A 50 -5.928 0.403 -5.747 1.00 0.00 C ATOM 686 C ILE A 50 -6.762 0.846 -4.544 1.00 0.00 C ATOM 687 O ILE A 50 -6.211 1.328 -3.550 1.00 0.00 O ATOM 688 CB ILE A 50 -5.489 -1.086 -5.657 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.362 -1.701 -7.058 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.371 -1.960 -4.764 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.647 -3.060 -7.112 1.00 0.00 C ATOM 0 H ILE A 50 -4.266 1.220 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.521 0.492 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.513 -1.068 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.361 -1.817 -7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.826 -1.000 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.989 -2.981 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.362 -1.567 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.392 -1.956 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.608 -3.410 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.633 -2.953 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.192 -3.782 -6.504 1.00 0.00 H new ATOM 703 N ILE A 51 -8.070 0.603 -4.598 1.00 0.00 N ATOM 704 CA ILE A 51 -8.966 0.691 -3.458 1.00 0.00 C ATOM 705 C ILE A 51 -9.619 -0.678 -3.332 1.00 0.00 C ATOM 706 O ILE A 51 -10.104 -1.229 -4.328 1.00 0.00 O ATOM 707 CB ILE A 51 -9.989 1.828 -3.649 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.260 3.172 -3.854 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.952 1.951 -2.456 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.206 4.309 -4.224 1.00 0.00 C ATOM 0 H ILE A 51 -8.543 0.333 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.436 0.939 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.577 1.582 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.726 3.433 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.512 3.058 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.654 2.765 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.502 1.018 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.383 2.157 -1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.636 5.229 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.721 4.066 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.938 4.447 -3.428 1.00 0.00 H new ATOM 722 N GLU A 52 -9.648 -1.213 -2.115 1.00 0.00 N ATOM 723 CA GLU A 52 -10.344 -2.451 -1.784 1.00 0.00 C ATOM 724 C GLU A 52 -11.420 -2.122 -0.761 1.00 0.00 C ATOM 725 O GLU A 52 -11.307 -1.109 -0.073 1.00 0.00 O ATOM 726 CB GLU A 52 -9.383 -3.540 -1.266 1.00 0.00 C ATOM 727 CG GLU A 52 -8.272 -3.811 -2.279 1.00 0.00 C ATOM 728 CD GLU A 52 -7.287 -4.925 -1.905 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.574 -5.788 -1.057 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.208 -4.979 -2.553 1.00 0.00 O ATOM 0 H GLU A 52 -9.178 -0.789 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.797 -2.865 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.947 -3.226 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.937 -4.459 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.731 -4.063 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.710 -2.889 -2.429 1.00 0.00 H new ATOM 737 N ALA A 53 -12.443 -2.968 -0.642 1.00 0.00 N ATOM 738 CA ALA A 53 -13.510 -2.825 0.338 1.00 0.00 C ATOM 739 C ALA A 53 -13.883 -4.189 0.904 1.00 0.00 C ATOM 740 O ALA A 53 -13.765 -5.219 0.229 1.00 0.00 O ATOM 741 CB ALA A 53 -14.743 -2.208 -0.330 1.00 0.00 C ATOM 0 H ALA A 53 -12.552 -3.788 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.164 -2.179 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.540 -2.102 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.487 -1.228 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.080 -2.855 -1.140 1.00 0.00 H new ATOM 747 N PHE A 54 -14.433 -4.163 2.110 1.00 0.00 N ATOM 748 CA PHE A 54 -15.075 -5.257 2.830 1.00 0.00 C ATOM 749 C PHE A 54 -16.413 -4.698 3.335 1.00 0.00 C ATOM 750 O PHE A 54 -16.613 -3.489 3.278 1.00 0.00 O ATOM 751 CB PHE A 54 -14.114 -5.725 3.937 1.00 0.00 C ATOM 752 CG PHE A 54 -14.614 -6.742 4.944 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.480 -6.345 5.981 1.00 0.00 C ATOM 754 CD2 PHE A 54 -14.138 -8.067 4.912 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.919 -7.268 6.940 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.555 -8.986 5.891 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.465 -8.597 6.890 1.00 0.00 C ATOM 0 H PHE A 54 -14.443 -3.303 2.658 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.286 -6.139 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.230 -6.142 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.789 -4.843 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.809 -5.318 6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.453 -8.377 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.604 -6.959 7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.174 -9.997 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.814 -9.317 7.616 1.00 0.00 H new ATOM 767 N SER A 55 -17.335 -5.525 3.828 1.00 0.00 N ATOM 768 CA SER A 55 -18.661 -5.109 4.265 1.00 0.00 C ATOM 769 C SER A 55 -19.177 -5.880 5.485 1.00 0.00 C ATOM 770 O SER A 55 -19.785 -5.259 6.359 1.00 0.00 O ATOM 771 CB SER A 55 -19.594 -5.290 3.070 1.00 0.00 C ATOM 772 OG SER A 55 -20.897 -4.870 3.374 1.00 0.00 O ATOM 0 H SER A 55 -17.173 -6.526 3.936 1.00 0.00 H new ATOM 0 HA SER A 55 -18.618 -4.070 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.215 -4.722 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.608 -6.338 2.772 1.00 0.00 H new ATOM 0 HG SER A 55 -20.862 -4.018 3.856 1.00 0.00 H new ATOM 778 N GLN A 56 -18.971 -7.210 5.508 1.00 0.00 N ATOM 779 CA GLN A 56 -19.306 -8.251 6.461 1.00 0.00 C ATOM 780 C GLN A 56 -20.290 -9.224 5.799 1.00 0.00 C ATOM 781 O GLN A 56 -20.085 -10.434 5.870 1.00 0.00 O ATOM 782 CB GLN A 56 -19.864 -7.680 7.762 1.00 0.00 C ATOM 783 CG GLN A 56 -20.060 -8.749 8.837 1.00 0.00 C ATOM 784 CD GLN A 56 -19.044 -8.613 9.968 1.00 0.00 C ATOM 785 OE1 GLN A 56 -18.961 -7.574 10.620 1.00 0.00 O ATOM 786 NE2 GLN A 56 -18.243 -9.634 10.214 1.00 0.00 N ATOM 0 H GLN A 56 -18.483 -7.631 4.718 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.398 -8.786 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.187 -6.912 8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.818 -7.193 7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -21.068 -8.674 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.971 -9.737 8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.324 -10.490 9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.544 -9.567 10.953 1.00 0.00 H new ATOM 795 N SER A 57 -21.348 -8.711 5.163 1.00 0.00 N ATOM 796 CA SER A 57 -22.385 -9.526 4.534 1.00 0.00 C ATOM 797 C SER A 57 -22.023 -9.892 3.088 1.00 0.00 C ATOM 798 O SER A 57 -22.348 -10.987 2.627 1.00 0.00 O ATOM 799 CB SER A 57 -23.699 -8.735 4.596 1.00 0.00 C ATOM 800 OG SER A 57 -24.801 -9.504 4.163 1.00 0.00 O ATOM 0 H SER A 57 -21.508 -7.708 5.071 1.00 0.00 H new ATOM 0 HA SER A 57 -22.486 -10.471 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.871 -8.398 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.614 -7.842 3.976 1.00 0.00 H new ATOM 0 HG SER A 57 -25.618 -8.966 4.219 1.00 0.00 H new ATOM 806 N VAL A 58 -21.383 -8.964 2.367 1.00 0.00 N ATOM 807 CA VAL A 58 -21.347 -8.958 0.906 1.00 0.00 C ATOM 808 C VAL A 58 -20.376 -10.029 0.428 1.00 0.00 C ATOM 809 O VAL A 58 -20.759 -10.958 -0.274 1.00 0.00 O ATOM 810 CB VAL A 58 -20.989 -7.546 0.393 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.766 -7.484 -1.122 1.00 0.00 C ATOM 812 CG2 VAL A 58 -22.111 -6.561 0.762 1.00 0.00 C ATOM 0 H VAL A 58 -20.871 -8.189 2.789 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.328 -9.198 0.496 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.048 -7.277 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.518 -6.463 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.946 -8.148 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.674 -7.797 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.855 -5.566 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -23.045 -6.886 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -22.229 -6.533 1.845 1.00 0.00 H new ATOM 822 N SER A 59 -19.104 -9.885 0.790 1.00 0.00 N ATOM 823 CA SER A 59 -18.033 -10.791 0.430 1.00 0.00 C ATOM 824 C SER A 59 -16.917 -10.532 1.432 1.00 0.00 C ATOM 825 O SER A 59 -16.200 -9.530 1.326 1.00 0.00 O ATOM 826 CB SER A 59 -17.599 -10.527 -1.017 1.00 0.00 C ATOM 827 OG SER A 59 -18.543 -11.083 -1.917 1.00 0.00 O ATOM 0 H SER A 59 -18.786 -9.103 1.363 1.00 0.00 H new ATOM 0 HA SER A 59 -18.332 -11.838 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.509 -9.454 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.615 -10.961 -1.195 1.00 0.00 H new ATOM 0 HG SER A 59 -19.394 -11.223 -1.453 1.00 0.00 H new ATOM 833 N ASN A 60 -16.814 -11.369 2.468 1.00 0.00 N ATOM 834 CA ASN A 60 -15.723 -11.283 3.451 1.00 0.00 C ATOM 835 C ASN A 60 -14.318 -11.419 2.830 1.00 0.00 C ATOM 836 O ASN A 60 -13.346 -11.100 3.506 1.00 0.00 O ATOM 837 CB ASN A 60 -15.923 -12.240 4.632 1.00 0.00 C ATOM 838 CG ASN A 60 -15.579 -13.676 4.290 1.00 0.00 C ATOM 839 OD1 ASN A 60 -16.454 -14.418 3.867 1.00 0.00 O ATOM 840 ND2 ASN A 60 -14.337 -14.088 4.464 1.00 0.00 N ATOM 0 H ASN A 60 -17.478 -12.121 2.651 1.00 0.00 H new ATOM 0 HA ASN A 60 -15.774 -10.269 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -15.305 -11.912 5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.960 -12.189 4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.084 -15.051 4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.631 -13.443 4.819 1.00 0.00 H new ATOM 847 N SER A 61 -14.219 -11.788 1.551 1.00 0.00 N ATOM 848 CA SER A 61 -13.048 -11.803 0.688 1.00 0.00 C ATOM 849 C SER A 61 -12.085 -10.621 0.828 1.00 0.00 C ATOM 850 O SER A 61 -10.879 -10.838 0.732 1.00 0.00 O ATOM 851 CB SER A 61 -13.588 -11.825 -0.743 1.00 0.00 C ATOM 852 OG SER A 61 -14.246 -13.045 -1.004 1.00 0.00 O ATOM 0 H SER A 61 -15.044 -12.116 1.049 1.00 0.00 H new ATOM 0 HA SER A 61 -12.451 -12.670 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.278 -10.994 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.769 -11.688 -1.449 1.00 0.00 H new ATOM 0 HG SER A 61 -14.587 -13.043 -1.923 1.00 0.00 H new ATOM 858 N TRP A 62 -12.598 -9.397 1.002 1.00 0.00 N ATOM 859 CA TRP A 62 -12.105 -8.179 0.362 1.00 0.00 C ATOM 860 C TRP A 62 -12.213 -8.269 -1.162 1.00 0.00 C ATOM 861 O TRP A 62 -11.963 -9.321 -1.752 1.00 0.00 O ATOM 862 CB TRP A 62 -10.683 -7.802 0.784 1.00 0.00 C ATOM 863 CG TRP A 62 -10.550 -7.338 2.192 1.00 0.00 C ATOM 864 CD1 TRP A 62 -10.354 -8.104 3.287 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.694 -5.976 2.669 1.00 0.00 C ATOM 866 NE1 TRP A 62 -10.353 -7.302 4.412 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.611 -5.983 4.091 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.937 -4.745 2.028 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.803 -4.818 4.846 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -11.175 -3.582 2.781 1.00 0.00 C ATOM 871 CH2 TRP A 62 -11.108 -3.617 4.184 1.00 0.00 C ATOM 0 H TRP A 62 -13.395 -9.225 1.614 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.753 -7.376 0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.035 -8.667 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -10.319 -7.016 0.122 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.219 -9.176 3.284 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.183 -7.641 5.359 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.940 -4.695 0.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.718 -4.843 5.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.411 -2.656 2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.291 -2.719 4.755 1.00 0.00 H new ATOM 882 N GLN A 63 -12.586 -7.165 -1.813 1.00 0.00 N ATOM 883 CA GLN A 63 -12.609 -7.052 -3.271 1.00 0.00 C ATOM 884 C GLN A 63 -11.965 -5.734 -3.659 1.00 0.00 C ATOM 885 O GLN A 63 -12.035 -4.775 -2.891 1.00 0.00 O ATOM 886 CB GLN A 63 -14.041 -7.113 -3.842 1.00 0.00 C ATOM 887 CG GLN A 63 -14.887 -8.233 -3.220 1.00 0.00 C ATOM 888 CD GLN A 63 -15.852 -8.911 -4.186 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.459 -8.279 -5.045 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.027 -10.217 -4.057 1.00 0.00 N ATOM 0 H GLN A 63 -12.884 -6.314 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.061 -7.897 -3.688 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.535 -6.156 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.990 -7.260 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.219 -8.988 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.457 -7.820 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.517 -10.731 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.672 -10.709 -4.675 1.00 0.00 H new ATOM 899 N THR A 64 -11.395 -5.676 -4.859 1.00 0.00 N ATOM 900 CA THR A 64 -11.021 -4.424 -5.503 1.00 0.00 C ATOM 901 C THR A 64 -12.332 -3.710 -5.842 1.00 0.00 C ATOM 902 O THR A 64 -13.243 -4.339 -6.387 1.00 0.00 O ATOM 903 CB THR A 64 -10.188 -4.649 -6.790 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.509 -5.894 -6.849 1.00 0.00 O ATOM 905 CG2 THR A 64 -9.108 -3.569 -6.947 1.00 0.00 C ATOM 0 H THR A 64 -11.179 -6.503 -5.415 1.00 0.00 H new ATOM 0 HA THR A 64 -10.391 -3.835 -4.836 1.00 0.00 H new ATOM 0 HB THR A 64 -10.933 -4.616 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.011 -5.955 -7.691 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.539 -3.753 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.580 -2.588 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.437 -3.598 -6.089 1.00 0.00 H new ATOM 913 N VAL A 65 -12.424 -2.415 -5.552 1.00 0.00 N ATOM 914 CA VAL A 65 -13.581 -1.592 -5.906 1.00 0.00 C ATOM 915 C VAL A 65 -13.175 -0.384 -6.764 1.00 0.00 C ATOM 916 O VAL A 65 -14.049 0.286 -7.322 1.00 0.00 O ATOM 917 CB VAL A 65 -14.388 -1.236 -4.640 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.929 -2.508 -3.959 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.582 -0.409 -3.626 1.00 0.00 C ATOM 0 H VAL A 65 -11.692 -1.901 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.253 -2.167 -6.543 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.220 -0.617 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.494 -2.232 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.580 -3.042 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.096 -3.151 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.204 -0.191 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.705 -0.974 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.264 0.525 -4.089 1.00 0.00 H new ATOM 929 N ALA A 66 -11.865 -0.142 -6.915 1.00 0.00 N ATOM 930 CA ALA A 66 -11.253 0.635 -7.982 1.00 0.00 C ATOM 931 C ALA A 66 -9.829 0.110 -8.166 1.00 0.00 C ATOM 932 O ALA A 66 -9.144 -0.123 -7.168 1.00 0.00 O ATOM 933 CB ALA A 66 -11.212 2.114 -7.593 1.00 0.00 C ATOM 0 H ALA A 66 -11.175 -0.506 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.825 0.540 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.752 2.689 -8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.227 2.474 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.627 2.234 -6.681 1.00 0.00 H new ATOM 939 N ASN A 67 -9.361 -0.039 -9.407 1.00 0.00 N ATOM 940 CA ASN A 67 -7.967 -0.358 -9.717 1.00 0.00 C ATOM 941 C ASN A 67 -7.360 0.811 -10.491 1.00 0.00 C ATOM 942 O ASN A 67 -8.089 1.594 -11.100 1.00 0.00 O ATOM 943 CB ASN A 67 -7.858 -1.678 -10.509 1.00 0.00 C ATOM 944 CG ASN A 67 -6.415 -2.095 -10.783 1.00 0.00 C ATOM 945 OD1 ASN A 67 -5.529 -1.789 -10.004 1.00 0.00 O ATOM 946 ND2 ASN A 67 -6.112 -2.773 -11.875 1.00 0.00 N ATOM 0 H ASN A 67 -9.948 0.060 -10.235 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.411 -0.505 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.360 -2.470 -9.954 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.385 -1.570 -11.457 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.144 -3.036 -12.060 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.846 -3.034 -12.533 1.00 0.00 H new ATOM 953 N HIS A 68 -6.034 0.924 -10.481 1.00 0.00 N ATOM 954 CA HIS A 68 -5.274 1.916 -11.243 1.00 0.00 C ATOM 955 C HIS A 68 -5.794 3.343 -11.019 1.00 0.00 C ATOM 956 O HIS A 68 -6.076 4.105 -11.946 1.00 0.00 O ATOM 957 CB HIS A 68 -5.154 1.484 -12.716 1.00 0.00 C ATOM 958 CG HIS A 68 -3.936 0.635 -12.965 1.00 0.00 C ATOM 959 ND1 HIS A 68 -3.080 0.784 -14.026 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.419 -0.334 -12.146 1.00 0.00 C ATOM 961 CE1 HIS A 68 -2.074 -0.082 -13.851 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.224 -0.781 -12.715 1.00 0.00 N ATOM 0 H HIS A 68 -5.439 0.309 -9.926 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.253 1.954 -10.863 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.047 0.928 -13.003 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.113 2.370 -13.350 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.857 -0.689 -11.225 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.248 -0.203 -14.536 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.595 -1.493 -12.343 1.00 0.00 H new ATOM 970 N VAL A 69 -5.906 3.689 -9.743 1.00 0.00 N ATOM 971 CA VAL A 69 -6.322 4.974 -9.219 1.00 0.00 C ATOM 972 C VAL A 69 -5.117 5.898 -9.324 1.00 0.00 C ATOM 973 O VAL A 69 -4.112 5.706 -8.643 1.00 0.00 O ATOM 974 CB VAL A 69 -6.825 4.758 -7.776 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.085 6.043 -6.989 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.137 3.973 -7.801 1.00 0.00 C ATOM 0 H VAL A 69 -5.692 3.027 -8.997 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.144 5.432 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.019 4.222 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.435 5.792 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.162 6.619 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.843 6.636 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.490 3.822 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.884 4.531 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.973 3.005 -8.275 1.00 0.00 H new ATOM 986 N LYS A 70 -5.182 6.884 -10.209 1.00 0.00 N ATOM 987 CA LYS A 70 -4.126 7.860 -10.462 1.00 0.00 C ATOM 988 C LYS A 70 -4.556 9.192 -9.863 1.00 0.00 C ATOM 989 O LYS A 70 -4.626 10.224 -10.534 1.00 0.00 O ATOM 990 CB LYS A 70 -3.896 7.892 -11.978 1.00 0.00 C ATOM 991 CG LYS A 70 -3.364 6.572 -12.570 1.00 0.00 C ATOM 992 CD LYS A 70 -2.020 6.141 -12.024 1.00 0.00 C ATOM 993 CE LYS A 70 -0.936 7.165 -12.325 1.00 0.00 C ATOM 994 NZ LYS A 70 -0.342 7.021 -13.672 1.00 0.00 N ATOM 0 H LYS A 70 -6.004 7.033 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.175 7.607 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.835 8.144 -12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.191 8.690 -12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.091 5.783 -12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.286 6.678 -13.652 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.095 5.996 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.743 5.180 -12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.357 8.166 -12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.147 7.077 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.388 7.749 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.088 6.078 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.084 7.134 -14.392 1.00 0.00 H new ATOM 1008 N THR A 71 -4.934 9.143 -8.589 1.00 0.00 N ATOM 1009 CA THR A 71 -5.471 10.282 -7.870 1.00 0.00 C ATOM 1010 C THR A 71 -5.292 10.051 -6.372 1.00 0.00 C ATOM 1011 O THR A 71 -4.629 9.092 -5.964 1.00 0.00 O ATOM 1012 CB THR A 71 -6.929 10.485 -8.320 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.505 11.650 -7.776 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.825 9.272 -8.091 1.00 0.00 C ATOM 0 H THR A 71 -4.873 8.296 -8.024 1.00 0.00 H new ATOM 0 HA THR A 71 -4.942 11.209 -8.093 1.00 0.00 H new ATOM 0 HB THR A 71 -6.865 10.616 -9.400 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.429 11.736 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.835 9.496 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.433 8.420 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.848 9.032 -7.028 1.00 0.00 H new ATOM 1022 N THR A 72 -5.882 10.930 -5.571 1.00 0.00 N ATOM 1023 CA THR A 72 -6.019 10.784 -4.127 1.00 0.00 C ATOM 1024 C THR A 72 -7.475 10.965 -3.658 1.00 0.00 C ATOM 1025 O THR A 72 -7.749 10.806 -2.466 1.00 0.00 O ATOM 1026 CB THR A 72 -5.050 11.715 -3.387 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.340 13.083 -3.605 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.594 11.488 -3.803 1.00 0.00 C ATOM 0 H THR A 72 -6.293 11.795 -5.922 1.00 0.00 H new ATOM 0 HA THR A 72 -5.746 9.759 -3.874 1.00 0.00 H new ATOM 0 HB THR A 72 -5.183 11.470 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.698 13.636 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.947 12.171 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.309 10.460 -3.582 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.488 11.672 -4.872 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.399 11.300 -4.573 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.821 11.451 -4.329 1.00 0.00 C ATOM 1038 C LEU A 73 -10.551 10.558 -5.318 1.00 0.00 C ATOM 1039 O LEU A 73 -10.321 10.699 -6.525 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.216 12.930 -4.509 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.341 13.404 -3.579 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -10.968 13.237 -2.151 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.563 14.896 -3.729 1.00 0.00 C ATOM 0 H LEU A 73 -8.151 11.479 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.086 11.160 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.336 13.551 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.525 13.088 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.218 12.815 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.786 13.582 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.771 12.185 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.073 13.822 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.364 15.214 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.646 15.428 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.838 15.121 -4.759 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.355 9.606 -4.840 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.035 8.651 -5.705 1.00 0.00 C ATOM 1057 C TYR A 74 -13.411 8.288 -5.158 1.00 0.00 C ATOM 1058 O TYR A 74 -13.541 7.707 -4.080 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.152 7.414 -5.899 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.603 6.518 -7.034 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.698 5.652 -6.864 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -10.943 6.575 -8.276 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -13.162 4.876 -7.938 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -11.376 5.772 -9.344 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.500 4.932 -9.184 1.00 0.00 C ATOM 1066 OH TYR A 74 -12.940 4.200 -10.242 1.00 0.00 O ATOM 0 H TYR A 74 -11.550 9.479 -3.847 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.201 9.111 -6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.127 7.735 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.141 6.837 -4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.184 5.584 -5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.101 7.238 -8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -14.024 4.237 -7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.850 5.797 -10.287 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.363 4.365 -11.017 1.00 0.00 H new ATOM 1076 N THR A 75 -14.434 8.618 -5.934 1.00 0.00 N ATOM 1077 CA THR A 75 -15.814 8.212 -5.788 1.00 0.00 C ATOM 1078 C THR A 75 -15.935 6.728 -6.160 1.00 0.00 C ATOM 1079 O THR A 75 -15.976 6.362 -7.339 1.00 0.00 O ATOM 1080 CB THR A 75 -16.655 9.147 -6.667 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.383 10.503 -6.329 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.153 8.889 -6.519 1.00 0.00 C ATOM 0 H THR A 75 -14.304 9.224 -6.744 1.00 0.00 H new ATOM 0 HA THR A 75 -16.180 8.298 -4.765 1.00 0.00 H new ATOM 0 HB THR A 75 -16.379 8.948 -7.703 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.641 10.666 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.706 9.575 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.376 7.862 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.448 9.045 -5.481 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.949 5.862 -5.150 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.372 4.473 -5.265 1.00 0.00 C ATOM 1092 C VAL A 76 -17.877 4.483 -5.550 1.00 0.00 C ATOM 1093 O VAL A 76 -18.601 5.300 -4.983 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.081 3.742 -3.935 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.359 2.235 -4.054 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.620 3.911 -3.483 1.00 0.00 C ATOM 0 H VAL A 76 -15.659 6.115 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.838 3.957 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.744 4.196 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.145 1.749 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.406 2.078 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.724 1.808 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.466 3.379 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.954 3.504 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.403 4.970 -3.340 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.371 3.558 -6.375 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.787 3.350 -6.667 1.00 0.00 C ATOM 1108 C ARG A 77 -20.085 1.857 -6.664 1.00 0.00 C ATOM 1109 O ARG A 77 -19.167 1.036 -6.655 1.00 0.00 O ATOM 1110 CB ARG A 77 -20.125 3.902 -8.060 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.921 5.407 -8.224 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.960 5.753 -9.711 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.861 7.202 -9.918 1.00 0.00 N ATOM 1114 CZ ARG A 77 -20.861 8.039 -10.203 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -22.077 7.599 -10.515 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -20.645 9.348 -10.203 1.00 0.00 N ATOM 0 H ARG A 77 -17.768 2.907 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.381 3.864 -5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.512 3.385 -8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -21.164 3.664 -8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.698 5.953 -7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.966 5.707 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.140 5.252 -10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.886 5.382 -10.150 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.931 7.613 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -22.266 6.597 -10.541 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.821 8.264 -10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.717 9.712 -9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.407 9.991 -10.420 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.375 1.537 -6.767 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.889 0.189 -6.984 1.00 0.00 C ATOM 1132 C GLY A 78 -22.341 -0.492 -5.697 1.00 0.00 C ATOM 1133 O GLY A 78 -22.752 -1.654 -5.727 1.00 0.00 O ATOM 0 H GLY A 78 -22.115 2.236 -6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.728 0.234 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.116 -0.417 -7.457 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.278 0.214 -4.567 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.368 -0.394 -3.243 1.00 0.00 C ATOM 1139 C LEU A 79 -23.824 -0.714 -2.925 1.00 0.00 C ATOM 1140 O LEU A 79 -24.728 -0.435 -3.714 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.733 0.538 -2.193 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.230 0.766 -2.436 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.778 2.068 -1.774 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.351 -0.383 -1.944 1.00 0.00 C ATOM 0 H LEU A 79 -22.163 1.227 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.812 -1.331 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.249 1.498 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.876 0.112 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.105 0.823 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.713 2.217 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.337 2.903 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.961 2.013 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.305 -0.154 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.491 -0.515 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.629 -1.301 -2.462 1.00 0.00 H new ATOM 1156 N ARG A 80 -24.049 -1.307 -1.762 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.392 -1.554 -1.246 1.00 0.00 C ATOM 1158 C ARG A 80 -25.769 -0.444 -0.286 1.00 0.00 C ATOM 1159 O ARG A 80 -24.880 0.039 0.415 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.479 -2.890 -0.502 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.146 -4.037 -1.448 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.435 -5.399 -0.820 1.00 0.00 C ATOM 1163 NE ARG A 80 -26.858 -5.715 -0.957 1.00 0.00 N ATOM 1164 CZ ARG A 80 -27.470 -6.798 -0.487 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -26.779 -7.791 0.055 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -28.788 -6.874 -0.549 1.00 0.00 N ATOM 0 H ARG A 80 -23.304 -1.632 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.074 -1.587 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.788 -2.891 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.481 -3.024 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.725 -3.930 -2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.094 -3.983 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.834 -6.168 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.154 -5.391 0.233 1.00 0.00 H new ATOM 0 HE ARG A 80 -27.434 -5.041 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -25.763 -7.731 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -27.264 -8.615 0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -29.325 -6.107 -0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -29.269 -7.700 -0.192 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.044 -0.057 -0.210 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.540 0.866 0.795 1.00 0.00 C ATOM 1182 C PRO A 81 -27.629 0.192 2.169 1.00 0.00 C ATOM 1183 O PRO A 81 -27.673 -1.036 2.276 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.904 1.323 0.286 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.352 0.246 -0.706 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.099 -0.535 -1.074 1.00 0.00 C ATOM 0 HA PRO A 81 -26.872 1.715 0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.616 1.422 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.836 2.298 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.102 -0.407 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.806 0.694 -1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.256 -1.605 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.841 -0.381 -2.122 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.641 1.010 3.228 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.698 0.650 4.657 1.00 0.00 C ATOM 1196 C ASN A 82 -26.625 -0.357 5.058 1.00 0.00 C ATOM 1197 O ASN A 82 -26.767 -1.070 6.050 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.112 0.182 5.088 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.531 0.761 6.439 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -28.732 1.319 7.182 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.787 0.660 6.821 1.00 0.00 N ATOM 0 H ASN A 82 -27.609 2.022 3.102 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.481 1.567 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.836 0.477 4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.131 -0.907 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -31.079 1.042 7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.468 0.199 6.217 1.00 0.00 H new ATOM 1208 N THR A 83 -25.553 -0.446 4.282 1.00 0.00 N ATOM 1209 CA THR A 83 -24.583 -1.518 4.336 1.00 0.00 C ATOM 1210 C THR A 83 -23.267 -0.850 4.683 1.00 0.00 C ATOM 1211 O THR A 83 -22.857 0.111 4.032 1.00 0.00 O ATOM 1212 CB THR A 83 -24.638 -2.375 3.045 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.915 -2.983 2.949 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.603 -3.482 3.047 1.00 0.00 C ATOM 0 H THR A 83 -25.332 0.254 3.574 1.00 0.00 H new ATOM 0 HA THR A 83 -24.777 -2.269 5.102 1.00 0.00 H new ATOM 0 HB THR A 83 -24.438 -1.710 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.579 -2.310 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.681 -4.054 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.606 -3.048 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.777 -4.141 3.898 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.685 -1.286 5.799 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.341 -0.910 6.187 1.00 0.00 C ATOM 1224 C ILE A 84 -20.383 -1.351 5.088 1.00 0.00 C ATOM 1225 O ILE A 84 -20.555 -2.417 4.481 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.992 -1.541 7.556 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.752 -0.882 8.725 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.484 -1.564 7.847 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.682 0.646 8.767 1.00 0.00 C ATOM 0 H ILE A 84 -23.143 -1.915 6.459 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.258 0.170 6.305 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.324 -2.576 7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.799 -1.181 8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.356 -1.274 9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.308 -2.019 8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.974 -2.145 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.098 -0.545 7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.247 1.013 9.624 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.642 0.960 8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.107 1.055 7.850 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.329 -0.559 4.927 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.132 -0.951 4.225 1.00 0.00 C ATOM 1243 C TYR A 85 -16.901 -0.464 4.959 1.00 0.00 C ATOM 1244 O TYR A 85 -16.887 0.585 5.610 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.133 -0.426 2.782 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.206 -1.048 1.921 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.495 -0.487 1.894 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.936 -2.220 1.190 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.523 -1.111 1.177 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.957 -2.846 0.453 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.256 -2.302 0.473 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.263 -2.922 -0.182 1.00 0.00 O ATOM 0 H TYR A 85 -19.291 0.393 5.292 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.112 -2.040 4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.270 0.655 2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.159 -0.618 2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.693 0.430 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.941 -2.640 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.514 -0.682 1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.747 -3.735 -0.123 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.891 -3.582 -0.804 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.837 -1.217 4.739 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.470 -0.843 5.007 1.00 0.00 C ATOM 1264 C LEU A 86 -13.816 -0.584 3.683 1.00 0.00 C ATOM 1265 O LEU A 86 -14.303 -1.087 2.680 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.730 -1.900 5.819 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.273 -2.073 7.242 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.809 -3.429 7.768 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.836 -0.933 8.172 1.00 0.00 C ATOM 0 H LEU A 86 -15.914 -2.156 4.347 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.440 0.055 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.791 -2.855 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.675 -1.632 5.872 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.362 -2.035 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.184 -3.574 8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.191 -4.220 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.720 -3.463 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.245 -1.099 9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.748 -0.905 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.205 0.016 7.782 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.760 0.220 3.706 1.00 0.00 N ATOM 1282 CA PHE A 87 -12.027 0.643 2.535 1.00 0.00 C ATOM 1283 C PHE A 87 -10.552 0.676 2.896 1.00 0.00 C ATOM 1284 O PHE A 87 -10.193 1.207 3.953 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.511 2.015 2.054 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.955 2.025 1.592 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.328 1.310 0.438 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.925 2.748 2.311 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.668 1.308 0.012 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.262 2.746 1.884 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.634 2.026 0.737 1.00 0.00 C ATOM 0 H PHE A 87 -12.384 0.604 4.573 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.192 -0.055 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.393 2.736 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.874 2.348 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.584 0.762 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.640 3.305 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.954 0.756 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.006 3.299 2.438 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.664 2.024 0.412 1.00 0.00 H new ATOM 1301 N MET A 88 -9.730 0.108 2.021 1.00 0.00 N ATOM 1302 CA MET A 88 -8.279 0.154 2.012 1.00 0.00 C ATOM 1303 C MET A 88 -7.868 0.971 0.788 1.00 0.00 C ATOM 1304 O MET A 88 -8.600 0.984 -0.202 1.00 0.00 O ATOM 1305 CB MET A 88 -7.752 -1.269 1.809 1.00 0.00 C ATOM 1306 CG MET A 88 -8.028 -2.292 2.902 1.00 0.00 C ATOM 1307 SD MET A 88 -7.672 -3.954 2.253 1.00 0.00 S ATOM 1308 CE MET A 88 -7.070 -4.762 3.742 1.00 0.00 C ATOM 0 H MET A 88 -10.093 -0.438 1.240 1.00 0.00 H new ATOM 0 HA MET A 88 -7.893 0.580 2.938 1.00 0.00 H new ATOM 0 HB2 MET A 88 -8.172 -1.652 0.879 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.672 -1.210 1.671 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.409 -2.087 3.775 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.067 -2.228 3.225 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.807 -5.795 3.514 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.189 -4.236 4.111 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.848 -4.745 4.505 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.677 1.562 0.807 1.00 0.00 N ATOM 1319 CA VAL A 89 -6.007 2.149 -0.345 1.00 0.00 C ATOM 1320 C VAL A 89 -4.620 1.503 -0.380 1.00 0.00 C ATOM 1321 O VAL A 89 -3.823 1.694 0.540 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.932 3.680 -0.198 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.140 4.309 -1.349 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.308 4.351 -0.179 1.00 0.00 C ATOM 0 H VAL A 89 -6.130 1.648 1.664 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.541 1.967 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.438 3.847 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.104 5.390 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.126 3.910 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.626 4.074 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.186 5.429 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.831 4.135 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.888 3.968 0.660 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.303 0.687 -1.386 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.917 0.263 -1.607 1.00 0.00 C ATOM 1336 C ARG A 90 -2.336 1.168 -2.679 1.00 0.00 C ATOM 1337 O ARG A 90 -3.070 1.582 -3.571 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.837 -1.212 -2.031 1.00 0.00 C ATOM 1339 CG ARG A 90 -3.171 -2.154 -0.884 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.180 -3.595 -1.395 1.00 0.00 C ATOM 1341 NE ARG A 90 -2.843 -4.516 -0.310 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.375 -5.700 -0.020 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -4.467 -6.149 -0.632 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -2.785 -6.384 0.946 1.00 0.00 N ATOM 0 H ARG A 90 -4.976 0.310 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.348 0.346 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.525 -1.389 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.834 -1.430 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.438 -2.045 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.143 -1.900 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.163 -3.840 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.465 -3.704 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.095 -4.207 0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.921 -5.581 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.850 -7.062 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.970 -5.996 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.145 -7.299 1.216 1.00 0.00 H new ATOM 1358 N ALA A 91 -1.044 1.464 -2.629 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.352 2.021 -3.784 1.00 0.00 C ATOM 1360 C ALA A 91 0.123 0.855 -4.650 1.00 0.00 C ATOM 1361 O ALA A 91 0.276 -0.271 -4.161 1.00 0.00 O ATOM 1362 CB ALA A 91 0.824 2.895 -3.343 1.00 0.00 C ATOM 0 H ALA A 91 -0.457 1.329 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.025 2.660 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.326 3.300 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.457 3.714 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.528 2.294 -2.768 1.00 0.00 H new ATOM 1368 N ILE A 92 0.370 1.123 -5.925 1.00 0.00 N ATOM 1369 CA ILE A 92 1.025 0.234 -6.880 1.00 0.00 C ATOM 1370 C ILE A 92 2.228 0.965 -7.422 1.00 0.00 C ATOM 1371 O ILE A 92 2.195 2.179 -7.584 1.00 0.00 O ATOM 1372 CB ILE A 92 0.062 -0.205 -8.016 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.252 -1.682 -7.788 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.591 -0.082 -9.458 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.508 -2.122 -8.528 1.00 0.00 C ATOM 0 H ILE A 92 0.105 2.014 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 92 1.333 -0.686 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.789 0.474 -7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.593 -2.287 -8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.378 -1.865 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.175 -0.419 -10.156 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.840 0.959 -9.667 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.483 -0.698 -9.572 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.692 -3.179 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.359 -1.537 -8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.373 -1.965 -9.598 1.00 0.00 H new ATOM 1387 N ASN A 93 3.227 0.199 -7.828 1.00 0.00 N ATOM 1388 CA ASN A 93 4.529 0.635 -8.317 1.00 0.00 C ATOM 1389 C ASN A 93 4.930 -0.255 -9.497 1.00 0.00 C ATOM 1390 O ASN A 93 4.292 -1.288 -9.745 1.00 0.00 O ATOM 1391 CB ASN A 93 5.560 0.514 -7.184 1.00 0.00 C ATOM 1392 CG ASN A 93 5.768 1.760 -6.396 1.00 0.00 C ATOM 1393 OD1 ASN A 93 4.783 2.348 -5.995 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.000 2.176 -6.168 1.00 0.00 N ATOM 0 H ASN A 93 3.145 -0.818 -7.825 1.00 0.00 H new ATOM 0 HA ASN A 93 4.486 1.674 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.244 -0.279 -6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.515 0.207 -7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.159 3.029 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.793 1.644 -6.528 1.00 0.00 H new ATOM 1401 N PRO A 94 6.035 0.080 -10.187 1.00 0.00 N ATOM 1402 CA PRO A 94 6.678 -0.821 -11.132 1.00 0.00 C ATOM 1403 C PRO A 94 7.077 -2.169 -10.513 1.00 0.00 C ATOM 1404 O PRO A 94 7.283 -3.129 -11.254 1.00 0.00 O ATOM 1405 CB PRO A 94 7.908 -0.064 -11.647 1.00 0.00 C ATOM 1406 CG PRO A 94 7.550 1.404 -11.433 1.00 0.00 C ATOM 1407 CD PRO A 94 6.750 1.349 -10.139 1.00 0.00 C ATOM 0 HA PRO A 94 5.986 -1.084 -11.932 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.807 -0.341 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.099 -0.280 -12.698 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.437 2.031 -11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.963 1.805 -12.259 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.404 1.400 -9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.058 2.188 -10.067 1.00 0.00 H new ATOM 1415 N GLN A 95 7.178 -2.259 -9.182 1.00 0.00 N ATOM 1416 CA GLN A 95 7.787 -3.375 -8.459 1.00 0.00 C ATOM 1417 C GLN A 95 6.827 -4.164 -7.581 1.00 0.00 C ATOM 1418 O GLN A 95 7.198 -5.219 -7.066 1.00 0.00 O ATOM 1419 CB GLN A 95 8.926 -2.822 -7.585 1.00 0.00 C ATOM 1420 CG GLN A 95 10.119 -2.443 -8.467 1.00 0.00 C ATOM 1421 CD GLN A 95 10.853 -3.655 -9.050 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.494 -4.809 -8.817 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.882 -3.427 -9.846 1.00 0.00 N ATOM 0 H GLN A 95 6.825 -1.531 -8.560 1.00 0.00 H new ATOM 0 HA GLN A 95 8.143 -4.076 -9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.580 -1.950 -7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.228 -3.568 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.771 -1.811 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.821 -1.850 -7.881 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.177 -2.469 -10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.382 -4.209 -10.270 1.00 0.00 H new ATOM 1432 N GLY A 96 5.621 -3.655 -7.371 1.00 0.00 N ATOM 1433 CA GLY A 96 4.645 -4.287 -6.496 1.00 0.00 C ATOM 1434 C GLY A 96 3.673 -3.280 -5.924 1.00 0.00 C ATOM 1435 O GLY A 96 3.527 -2.184 -6.462 1.00 0.00 O ATOM 0 H GLY A 96 5.292 -2.792 -7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.096 -5.047 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.161 -4.797 -5.683 1.00 0.00 H new ATOM 1439 N LEU A 97 3.007 -3.657 -4.837 1.00 0.00 N ATOM 1440 CA LEU A 97 2.082 -2.810 -4.088 1.00 0.00 C ATOM 1441 C LEU A 97 2.639 -2.496 -2.691 1.00 0.00 C ATOM 1442 O LEU A 97 3.580 -3.144 -2.233 1.00 0.00 O ATOM 1443 CB LEU A 97 0.691 -3.472 -4.101 1.00 0.00 C ATOM 1444 CG LEU A 97 0.617 -4.752 -3.250 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.024 -4.477 -1.870 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.154 -5.831 -4.002 1.00 0.00 C ATOM 0 H LEU A 97 3.099 -4.592 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 97 1.969 -1.833 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.047 -2.758 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.420 -3.712 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 97 1.630 -5.116 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.012 -5.404 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.645 -3.751 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.985 -4.079 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.203 -6.734 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.164 -5.479 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.353 -6.053 -4.941 1.00 0.00 H new ATOM 1458 N SER A 98 2.089 -1.469 -2.046 1.00 0.00 N ATOM 1459 CA SER A 98 2.549 -0.865 -0.794 1.00 0.00 C ATOM 1460 C SER A 98 2.166 -1.689 0.445 1.00 0.00 C ATOM 1461 O SER A 98 1.370 -2.632 0.354 1.00 0.00 O ATOM 1462 CB SER A 98 2.038 0.579 -0.739 1.00 0.00 C ATOM 1463 OG SER A 98 0.651 0.661 -0.432 1.00 0.00 O ATOM 0 H SER A 98 1.255 -1.005 -2.407 1.00 0.00 H new ATOM 0 HA SER A 98 3.639 -0.857 -0.778 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.605 1.132 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.222 1.062 -1.699 1.00 0.00 H new ATOM 0 HG SER A 98 0.501 0.357 0.487 1.00 0.00 H new ATOM 1469 N ASP A 99 2.726 -1.366 1.616 1.00 0.00 N ATOM 1470 CA ASP A 99 2.066 -1.695 2.891 1.00 0.00 C ATOM 1471 C ASP A 99 0.572 -1.327 2.822 1.00 0.00 C ATOM 1472 O ASP A 99 0.207 -0.370 2.119 1.00 0.00 O ATOM 1473 CB ASP A 99 2.681 -0.924 4.074 1.00 0.00 C ATOM 1474 CG ASP A 99 3.482 -1.801 5.029 1.00 0.00 C ATOM 1475 OD1 ASP A 99 2.892 -2.397 5.954 1.00 0.00 O ATOM 1476 OD2 ASP A 99 4.725 -1.789 4.896 1.00 0.00 O ATOM 0 H ASP A 99 3.620 -0.885 1.711 1.00 0.00 H new ATOM 0 HA ASP A 99 2.202 -2.765 3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.330 -0.139 3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.883 -0.432 4.630 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.301 -2.048 3.543 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.714 -1.738 3.604 1.00 0.00 C ATOM 1483 C PRO A 100 -1.935 -0.503 4.485 1.00 0.00 C ATOM 1484 O PRO A 100 -1.470 -0.455 5.625 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.382 -2.994 4.171 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.299 -3.626 5.047 1.00 0.00 C ATOM 1487 CD PRO A 100 0.008 -3.199 4.378 1.00 0.00 C ATOM 0 HA PRO A 100 -2.140 -1.492 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.271 -2.746 4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.699 -3.671 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.357 -3.269 6.075 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.395 -4.711 5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.759 -2.943 5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.419 -4.012 3.779 1.00 0.00 H new ATOM 1495 N SER A 101 -2.678 0.473 3.971 1.00 0.00 N ATOM 1496 CA SER A 101 -3.174 1.631 4.699 1.00 0.00 C ATOM 1497 C SER A 101 -3.935 1.265 5.990 1.00 0.00 C ATOM 1498 O SER A 101 -4.447 0.146 6.135 1.00 0.00 O ATOM 1499 CB SER A 101 -4.099 2.427 3.764 1.00 0.00 C ATOM 1500 OG SER A 101 -5.174 1.624 3.299 1.00 0.00 O ATOM 0 H SER A 101 -2.962 0.476 2.991 1.00 0.00 H new ATOM 0 HA SER A 101 -2.311 2.221 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.492 3.296 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.527 2.801 2.915 1.00 0.00 H new ATOM 0 HG SER A 101 -6.025 2.063 3.509 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.104 2.235 6.902 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.146 2.206 7.920 1.00 0.00 C ATOM 1508 C PRO A 102 -6.530 2.253 7.251 1.00 0.00 C ATOM 1509 O PRO A 102 -6.818 3.189 6.503 1.00 0.00 O ATOM 1510 CB PRO A 102 -4.902 3.447 8.796 1.00 0.00 C ATOM 1511 CG PRO A 102 -4.055 4.363 7.937 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.310 3.450 6.987 1.00 0.00 C ATOM 0 HA PRO A 102 -5.118 1.296 8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.841 3.924 9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.388 3.184 9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.675 5.075 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.363 4.944 8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.198 3.913 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.307 3.237 7.356 1.00 0.00 H new ATOM 1520 N MET A 103 -7.417 1.295 7.558 1.00 0.00 N ATOM 1521 CA MET A 103 -8.795 1.287 7.049 1.00 0.00 C ATOM 1522 C MET A 103 -9.525 2.593 7.388 1.00 0.00 C ATOM 1523 O MET A 103 -9.315 3.161 8.467 1.00 0.00 O ATOM 1524 CB MET A 103 -9.602 0.121 7.644 1.00 0.00 C ATOM 1525 CG MET A 103 -9.302 -1.215 6.970 1.00 0.00 C ATOM 1526 SD MET A 103 -10.348 -2.584 7.515 1.00 0.00 S ATOM 1527 CE MET A 103 -9.481 -3.154 8.998 1.00 0.00 C ATOM 0 H MET A 103 -7.199 0.505 8.165 1.00 0.00 H new ATOM 0 HA MET A 103 -8.724 1.175 5.967 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.384 0.042 8.709 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.666 0.338 7.551 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.414 -1.096 5.892 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.260 -1.475 7.156 1.00 0.00 H new ATOM 0 HE1 MET A 103 -10.020 -3.996 9.434 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.472 -3.468 8.731 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.429 -2.342 9.723 1.00 0.00 H new ATOM 1537 N SER A 104 -10.449 3.022 6.520 1.00 0.00 N ATOM 1538 CA SER A 104 -11.211 4.263 6.684 1.00 0.00 C ATOM 1539 C SER A 104 -12.251 4.234 7.833 1.00 0.00 C ATOM 1540 O SER A 104 -12.755 5.295 8.208 1.00 0.00 O ATOM 1541 CB SER A 104 -11.753 4.697 5.305 1.00 0.00 C ATOM 1542 OG SER A 104 -13.147 4.673 5.132 1.00 0.00 O ATOM 0 H SER A 104 -10.691 2.509 5.672 1.00 0.00 H new ATOM 0 HA SER A 104 -10.539 5.045 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.404 5.711 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.306 4.053 4.547 1.00 0.00 H new ATOM 0 HG SER A 104 -13.369 4.968 4.224 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.481 3.065 8.448 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.411 2.721 9.554 1.00 0.00 C ATOM 1550 C ASP A 105 -14.814 2.414 8.991 1.00 0.00 C ATOM 1551 O ASP A 105 -15.105 2.880 7.889 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.459 3.805 10.652 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.673 3.241 12.056 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -13.113 2.176 12.397 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.411 3.858 12.852 1.00 0.00 O ATOM 0 H ASP A 105 -11.964 2.236 8.154 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.027 1.824 10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.527 4.370 10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.262 4.506 10.424 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.679 1.599 9.630 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.869 1.059 8.976 1.00 0.00 C ATOM 1562 C PRO A 106 -17.913 2.151 8.718 1.00 0.00 C ATOM 1563 O PRO A 106 -18.589 2.602 9.643 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.399 -0.066 9.866 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.751 0.145 11.220 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.535 1.017 10.954 1.00 0.00 C ATOM 0 HA PRO A 106 -16.625 0.663 7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.486 -0.027 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.143 -1.043 9.457 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.438 0.630 11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.462 -0.805 11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.456 1.800 11.708 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.622 0.425 11.012 1.00 0.00 H new ATOM 1574 N VAL A 107 -18.058 2.582 7.467 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.946 3.677 7.067 1.00 0.00 C ATOM 1576 C VAL A 107 -20.200 3.101 6.426 1.00 0.00 C ATOM 1577 O VAL A 107 -20.117 2.103 5.707 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.212 4.661 6.133 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.372 5.604 7.012 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.347 3.961 5.072 1.00 0.00 C ATOM 0 H VAL A 107 -17.551 2.172 6.683 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.247 4.246 7.947 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.952 5.223 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.840 6.314 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -18.027 6.146 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.653 5.021 7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.859 4.710 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.591 3.350 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.978 3.326 4.450 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.362 3.710 6.670 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.645 3.229 6.156 1.00 0.00 C ATOM 1592 C ARG A 108 -23.033 4.044 4.928 1.00 0.00 C ATOM 1593 O ARG A 108 -22.880 5.265 4.926 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.726 3.407 7.235 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.936 2.471 7.035 1.00 0.00 C ATOM 1596 CD ARG A 108 -24.947 1.372 8.101 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.269 0.794 8.318 1.00 0.00 N ATOM 1598 CZ ARG A 108 -26.617 -0.046 9.295 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -25.725 -0.445 10.197 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -27.868 -0.483 9.345 1.00 0.00 N ATOM 0 H ARG A 108 -21.439 4.557 7.234 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.558 2.176 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.287 3.221 8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -24.069 4.442 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.860 3.046 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.896 2.022 6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -24.256 0.582 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -24.579 1.783 9.041 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.000 1.058 7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -24.763 -0.109 10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -26.003 -1.087 10.939 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.544 -0.177 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -28.155 -1.126 10.084 1.00 0.00 H new ATOM 1614 N THR A 109 -23.606 3.402 3.927 1.00 0.00 N ATOM 1615 CA THR A 109 -24.280 4.077 2.832 1.00 0.00 C ATOM 1616 C THR A 109 -25.622 4.663 3.301 1.00 0.00 C ATOM 1617 O THR A 109 -26.263 4.108 4.199 1.00 0.00 O ATOM 1618 CB THR A 109 -24.469 3.036 1.725 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.882 1.799 2.290 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.164 2.785 0.965 1.00 0.00 C ATOM 0 H THR A 109 -23.617 2.385 3.850 1.00 0.00 H new ATOM 0 HA THR A 109 -23.694 4.918 2.462 1.00 0.00 H new ATOM 0 HB THR A 109 -25.222 3.425 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.528 1.060 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.334 2.041 0.187 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.823 3.715 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.405 2.420 1.657 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.053 5.757 2.660 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.297 6.471 2.965 1.00 0.00 C ATOM 1630 C GLN A 110 -28.540 5.673 2.540 1.00 0.00 C ATOM 1631 O GLN A 110 -28.439 4.543 2.042 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.305 7.873 2.319 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.103 8.750 2.713 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.440 10.246 2.757 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.466 10.659 3.287 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -25.607 11.126 2.226 1.00 0.00 N ATOM 0 H GLN A 110 -25.530 6.181 1.893 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.338 6.588 4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.321 7.762 1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.224 8.386 2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -25.737 8.437 3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.293 8.587 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -24.747 10.809 1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -25.825 12.122 2.263 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.733 6.240 2.747 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.981 5.555 2.418 1.00 0.00 C ATOM 1647 C ASP A 111 -31.280 5.554 0.923 1.00 0.00 C ATOM 1648 O ASP A 111 -30.914 6.470 0.191 1.00 0.00 O ATOM 1649 CB ASP A 111 -32.162 6.052 3.247 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.280 5.009 3.174 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.011 3.815 3.470 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -34.400 5.350 2.746 1.00 0.00 O ATOM 0 H ASP A 111 -29.858 7.172 3.141 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.829 4.512 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.858 6.210 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.514 7.011 2.868 1.00 0.00 H new