USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -1.24 (180deg=-1.77) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.279 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 137:sc= -1.51 (180deg=-5.75!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -5.87 K(o=-5.9,f=-9.6!) USER MOD Single : A 55 MET CE :methyl 159:sc= -0.351 (180deg=-1.5) USER MOD Single : A 60 GLN :FLIP amide:sc= -2.48 F(o=-5.6!,f=-2.5) USER MOD Single : A 65 ASN : amide:sc= -2.44! C(o=-2.4!,f=-9!) USER MOD Single : A 72 MET CE :methyl -147:sc= -1.47 (180deg=-3.95!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -160:sc= -0.698 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.258 -4.028 -3.427 1.00 0.00 N ATOM 149 CA PHE A 13 9.681 -3.310 -2.230 1.00 0.00 C ATOM 150 C PHE A 13 8.475 -2.808 -1.442 1.00 0.00 C ATOM 151 O PHE A 13 7.386 -2.640 -1.991 1.00 0.00 O ATOM 152 CB PHE A 13 10.584 -2.134 -2.608 1.00 0.00 C ATOM 153 CG PHE A 13 9.832 -0.953 -3.153 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.285 -0.010 -2.298 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.674 -0.786 -4.519 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.593 1.078 -2.796 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.982 0.300 -5.023 1.00 0.00 C ATOM 158 CZ PHE A 13 8.442 1.233 -4.161 1.00 0.00 C ATOM 0 HA PHE A 13 10.241 -4.001 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.148 -1.822 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.309 -2.467 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.401 -0.126 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.096 -1.512 -5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.171 1.806 -2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.864 0.418 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.902 2.083 -4.553 1.00 0.00 H new ATOM 168 N THR A 14 8.678 -2.570 -0.150 1.00 0.00 N ATOM 169 CA THR A 14 7.609 -2.089 0.716 1.00 0.00 C ATOM 170 C THR A 14 7.730 -0.589 0.957 1.00 0.00 C ATOM 171 O THR A 14 8.819 -0.022 0.872 1.00 0.00 O ATOM 172 CB THR A 14 7.613 -2.818 2.073 1.00 0.00 C ATOM 173 OG1 THR A 14 8.810 -2.504 2.793 1.00 0.00 O ATOM 174 CG2 THR A 14 7.512 -4.324 1.879 1.00 0.00 C ATOM 0 H THR A 14 9.574 -2.703 0.320 1.00 0.00 H new ATOM 0 HA THR A 14 6.670 -2.297 0.204 1.00 0.00 H new ATOM 0 HB THR A 14 6.747 -2.483 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.805 -2.970 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.517 -4.817 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.586 -4.562 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.361 -4.673 1.291 1.00 0.00 H new ATOM 182 N VAL A 15 6.604 0.050 1.260 1.00 0.00 N ATOM 183 CA VAL A 15 6.584 1.485 1.516 1.00 0.00 C ATOM 184 C VAL A 15 6.341 1.777 2.992 1.00 0.00 C ATOM 185 O VAL A 15 5.578 1.075 3.657 1.00 0.00 O ATOM 186 CB VAL A 15 5.500 2.190 0.679 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.487 3.682 0.970 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.720 1.929 -0.804 1.00 0.00 C ATOM 0 H VAL A 15 5.694 -0.404 1.334 1.00 0.00 H new ATOM 0 HA VAL A 15 7.562 1.871 1.229 1.00 0.00 H new ATOM 0 HB VAL A 15 4.528 1.782 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.715 4.163 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.278 3.845 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.458 4.110 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.946 2.434 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.698 2.309 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.674 0.857 -0.995 1.00 0.00 H new ATOM 198 N ASP A 16 6.993 2.817 3.500 1.00 0.00 N ATOM 199 CA ASP A 16 6.846 3.203 4.898 1.00 0.00 C ATOM 200 C ASP A 16 6.695 4.715 5.031 1.00 0.00 C ATOM 201 O ASP A 16 7.660 5.462 4.872 1.00 0.00 O ATOM 202 CB ASP A 16 8.051 2.726 5.710 1.00 0.00 C ATOM 203 CG ASP A 16 7.913 3.037 7.188 1.00 0.00 C ATOM 204 OD1 ASP A 16 6.766 3.103 7.675 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.953 3.216 7.856 1.00 0.00 O ATOM 0 H ASP A 16 7.629 3.408 2.964 1.00 0.00 H new ATOM 0 HA ASP A 16 5.944 2.730 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.172 1.651 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.955 3.198 5.325 1.00 0.00 H new ATOM 210 N MET A 17 5.476 5.160 5.322 1.00 0.00 N ATOM 211 CA MET A 17 5.199 6.583 5.476 1.00 0.00 C ATOM 212 C MET A 17 4.203 6.823 6.606 1.00 0.00 C ATOM 213 O MET A 17 3.741 5.881 7.248 1.00 0.00 O ATOM 214 CB MET A 17 4.654 7.163 4.168 1.00 0.00 C ATOM 215 CG MET A 17 5.075 6.380 2.935 1.00 0.00 C ATOM 216 SD MET A 17 4.440 7.097 1.407 1.00 0.00 S ATOM 217 CE MET A 17 2.682 7.117 1.748 1.00 0.00 C ATOM 0 H MET A 17 4.665 4.555 5.456 1.00 0.00 H new ATOM 0 HA MET A 17 6.134 7.085 5.726 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.565 7.190 4.217 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.994 8.194 4.068 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.163 6.340 2.888 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.722 5.353 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.133 7.277 0.820 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.385 6.164 2.185 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.456 7.922 2.447 1.00 0.00 H new ATOM 227 N GLU A 18 3.877 8.090 6.842 1.00 0.00 N ATOM 228 CA GLU A 18 2.937 8.453 7.896 1.00 0.00 C ATOM 229 C GLU A 18 1.772 9.261 7.331 1.00 0.00 C ATOM 230 O GLU A 18 1.799 9.688 6.176 1.00 0.00 O ATOM 231 CB GLU A 18 3.646 9.255 8.989 1.00 0.00 C ATOM 232 CG GLU A 18 4.207 8.394 10.108 1.00 0.00 C ATOM 233 CD GLU A 18 5.410 9.025 10.782 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.171 9.736 10.093 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.591 8.806 11.998 1.00 0.00 O ATOM 0 H GLU A 18 4.250 8.882 6.318 1.00 0.00 H new ATOM 0 HA GLU A 18 2.543 7.533 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.458 9.827 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.945 9.975 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.429 8.219 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.489 7.421 9.706 1.00 0.00 H new ATOM 242 N LYS A 19 0.749 9.467 8.153 1.00 0.00 N ATOM 243 CA LYS A 19 -0.426 10.224 7.739 1.00 0.00 C ATOM 244 C LYS A 19 -0.116 11.716 7.670 1.00 0.00 C ATOM 245 O LYS A 19 0.816 12.196 8.314 1.00 0.00 O ATOM 246 CB LYS A 19 -1.585 9.977 8.707 1.00 0.00 C ATOM 247 CG LYS A 19 -2.940 10.374 8.148 1.00 0.00 C ATOM 248 CD LYS A 19 -4.072 9.665 8.873 1.00 0.00 C ATOM 249 CE LYS A 19 -4.281 8.257 8.337 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.178 8.242 7.148 1.00 0.00 N ATOM 0 H LYS A 19 0.710 9.120 9.111 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.714 9.884 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.607 8.920 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.404 10.533 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.069 11.453 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.981 10.134 7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.851 9.621 9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.992 10.238 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.317 7.824 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.706 7.630 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.295 7.264 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.106 8.632 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.760 8.819 6.391 1.00 0.00 H new ATOM 330 N GLY A 25 -0.988 12.066 2.444 1.00 0.00 N ATOM 331 CA GLY A 25 -0.864 12.872 1.244 1.00 0.00 C ATOM 332 C GLY A 25 -0.670 12.031 -0.002 1.00 0.00 C ATOM 333 O GLY A 25 0.203 12.315 -0.822 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.757 13.486 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.020 13.554 1.353 1.00 0.00 H new ATOM 337 N PHE A 26 -1.484 10.990 -0.145 1.00 0.00 N ATOM 338 CA PHE A 26 -1.396 10.103 -1.298 1.00 0.00 C ATOM 339 C PHE A 26 -2.745 9.449 -1.586 1.00 0.00 C ATOM 340 O PHE A 26 -3.461 9.049 -0.669 1.00 0.00 O ATOM 341 CB PHE A 26 -0.336 9.026 -1.060 1.00 0.00 C ATOM 342 CG PHE A 26 -0.888 7.761 -0.468 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.778 6.976 -1.184 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.517 7.356 0.804 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.289 5.812 -0.641 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.024 6.193 1.352 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.910 5.419 0.628 1.00 0.00 C ATOM 0 H PHE A 26 -2.212 10.740 0.524 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.109 10.701 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.151 8.792 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.431 9.424 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.076 7.277 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.177 7.956 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.984 5.210 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.728 5.890 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.306 4.508 1.053 1.00 0.00 H new ATOM 357 N SER A 27 -3.084 9.347 -2.867 1.00 0.00 N ATOM 358 CA SER A 27 -4.348 8.747 -3.277 1.00 0.00 C ATOM 359 C SER A 27 -4.110 7.461 -4.064 1.00 0.00 C ATOM 360 O SER A 27 -2.977 7.147 -4.432 1.00 0.00 O ATOM 361 CB SER A 27 -5.155 9.733 -4.124 1.00 0.00 C ATOM 362 OG SER A 27 -6.387 9.166 -4.533 1.00 0.00 O ATOM 0 H SER A 27 -2.501 9.672 -3.639 1.00 0.00 H new ATOM 0 HA SER A 27 -4.913 8.503 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.342 10.641 -3.551 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.576 10.023 -5.001 1.00 0.00 H new ATOM 0 HG SER A 27 -6.884 9.817 -5.071 1.00 0.00 H new ATOM 368 N ILE A 28 -5.184 6.722 -4.317 1.00 0.00 N ATOM 369 CA ILE A 28 -5.093 5.471 -5.060 1.00 0.00 C ATOM 370 C ILE A 28 -6.158 5.399 -6.149 1.00 0.00 C ATOM 371 O ILE A 28 -7.067 6.229 -6.198 1.00 0.00 O ATOM 372 CB ILE A 28 -5.242 4.252 -4.130 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.042 4.630 -2.882 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.874 3.709 -3.745 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.654 3.441 -2.174 1.00 0.00 C ATOM 0 H ILE A 28 -6.128 6.968 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.105 5.448 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.784 3.471 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.389 5.159 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.835 5.322 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.996 2.848 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.337 3.406 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.308 4.483 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.206 3.783 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.333 2.924 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.864 2.758 -1.860 1.00 0.00 H new ATOM 387 N ARG A 29 -6.040 4.402 -7.019 1.00 0.00 N ATOM 388 CA ARG A 29 -6.993 4.221 -8.107 1.00 0.00 C ATOM 389 C ARG A 29 -7.137 2.745 -8.465 1.00 0.00 C ATOM 390 O ARG A 29 -6.381 1.903 -7.982 1.00 0.00 O ATOM 391 CB ARG A 29 -6.550 5.014 -9.338 1.00 0.00 C ATOM 392 CG ARG A 29 -5.414 4.361 -10.107 1.00 0.00 C ATOM 393 CD ARG A 29 -5.440 4.749 -11.577 1.00 0.00 C ATOM 394 NE ARG A 29 -4.890 6.083 -11.801 1.00 0.00 N ATOM 395 CZ ARG A 29 -4.522 6.535 -12.995 1.00 0.00 C ATOM 396 NH1 ARG A 29 -4.646 5.765 -14.067 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.030 7.762 -13.118 1.00 0.00 N ATOM 0 H ARG A 29 -5.294 3.707 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.962 4.592 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.403 5.140 -10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.240 6.011 -9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.460 4.655 -9.669 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.486 3.277 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.871 4.021 -12.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.466 4.714 -11.943 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.782 6.702 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.025 4.822 -13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.363 6.115 -14.982 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.934 8.358 -12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.748 8.109 -14.035 1.00 0.00 H new ATOM 411 N GLY A 30 -8.114 2.439 -9.313 1.00 0.00 N ATOM 412 CA GLY A 30 -8.340 1.064 -9.720 1.00 0.00 C ATOM 413 C GLY A 30 -8.877 0.207 -8.592 1.00 0.00 C ATOM 414 O GLY A 30 -9.357 0.724 -7.584 1.00 0.00 O ATOM 0 H GLY A 30 -8.753 3.119 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.043 1.046 -10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.405 0.637 -10.083 1.00 0.00 H new ATOM 418 N GLY A 31 -8.798 -1.110 -8.762 1.00 0.00 N ATOM 419 CA GLY A 31 -9.287 -2.020 -7.742 1.00 0.00 C ATOM 420 C GLY A 31 -10.260 -3.042 -8.296 1.00 0.00 C ATOM 421 O GLY A 31 -10.793 -2.871 -9.392 1.00 0.00 O ATOM 0 H GLY A 31 -8.404 -1.562 -9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.443 -2.537 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.775 -1.448 -6.953 1.00 0.00 H new ATOM 425 N ARG A 32 -10.490 -4.109 -7.537 1.00 0.00 N ATOM 426 CA ARG A 32 -11.403 -5.164 -7.959 1.00 0.00 C ATOM 427 C ARG A 32 -12.680 -4.574 -8.549 1.00 0.00 C ATOM 428 O ARG A 32 -13.333 -5.196 -9.386 1.00 0.00 O ATOM 429 CB ARG A 32 -11.746 -6.073 -6.778 1.00 0.00 C ATOM 430 CG ARG A 32 -10.761 -7.213 -6.580 1.00 0.00 C ATOM 431 CD ARG A 32 -10.800 -8.192 -7.743 1.00 0.00 C ATOM 432 NE ARG A 32 -9.882 -7.808 -8.812 1.00 0.00 N ATOM 433 CZ ARG A 32 -9.869 -8.381 -10.011 1.00 0.00 C ATOM 434 NH1 ARG A 32 -10.720 -9.358 -10.291 1.00 0.00 N ATOM 435 NH2 ARG A 32 -9.004 -7.976 -10.931 1.00 0.00 N ATOM 0 H ARG A 32 -10.057 -4.265 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.906 -5.753 -8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.783 -5.474 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.743 -6.487 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.753 -6.811 -6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.992 -7.738 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.544 -9.190 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.814 -8.246 -8.138 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.214 -7.059 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.387 -9.671 -9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.708 -9.796 -11.212 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.348 -7.224 -10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.995 -8.416 -11.851 1.00 0.00 H new ATOM 449 N GLU A 33 -13.030 -3.371 -8.105 1.00 0.00 N ATOM 450 CA GLU A 33 -14.230 -2.698 -8.588 1.00 0.00 C ATOM 451 C GLU A 33 -14.158 -2.473 -10.096 1.00 0.00 C ATOM 452 O GLU A 33 -15.144 -2.654 -10.810 1.00 0.00 O ATOM 453 CB GLU A 33 -14.416 -1.360 -7.870 1.00 0.00 C ATOM 454 CG GLU A 33 -15.795 -0.751 -8.064 1.00 0.00 C ATOM 455 CD GLU A 33 -16.241 -0.769 -9.513 1.00 0.00 C ATOM 456 OE1 GLU A 33 -15.588 -0.103 -10.343 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.244 -1.448 -9.817 1.00 0.00 O ATOM 0 H GLU A 33 -12.500 -2.843 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.086 -3.339 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.237 -1.501 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.664 -0.657 -8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.518 -1.297 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.788 0.277 -7.702 1.00 0.00 H new ATOM 464 N TYR A 34 -12.983 -2.075 -10.572 1.00 0.00 N ATOM 465 CA TYR A 34 -12.782 -1.822 -11.994 1.00 0.00 C ATOM 466 C TYR A 34 -11.987 -2.951 -12.642 1.00 0.00 C ATOM 467 O TYR A 34 -11.462 -2.804 -13.746 1.00 0.00 O ATOM 468 CB TYR A 34 -12.057 -0.490 -12.198 1.00 0.00 C ATOM 469 CG TYR A 34 -12.514 0.599 -11.255 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.655 1.345 -11.525 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.805 0.883 -10.094 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.076 2.342 -10.666 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.220 1.877 -9.229 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.356 2.604 -9.520 1.00 0.00 C ATOM 475 OH TYR A 34 -13.771 3.596 -8.661 1.00 0.00 O ATOM 0 H TYR A 34 -12.156 -1.921 -9.995 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.761 -1.773 -12.470 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.986 -0.645 -12.068 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.209 -0.157 -13.225 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.222 1.142 -12.421 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.914 0.317 -9.864 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.965 2.913 -10.891 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.658 2.084 -8.330 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.154 3.651 -7.902 1.00 0.00 H new ATOM 485 N LYS A 35 -11.902 -4.080 -11.946 1.00 0.00 N ATOM 486 CA LYS A 35 -11.173 -5.238 -12.452 1.00 0.00 C ATOM 487 C LYS A 35 -9.736 -4.866 -12.801 1.00 0.00 C ATOM 488 O LYS A 35 -9.236 -5.219 -13.869 1.00 0.00 O ATOM 489 CB LYS A 35 -11.877 -5.811 -13.684 1.00 0.00 C ATOM 490 CG LYS A 35 -13.302 -6.263 -13.415 1.00 0.00 C ATOM 491 CD LYS A 35 -13.338 -7.626 -12.745 1.00 0.00 C ATOM 492 CE LYS A 35 -14.629 -8.367 -13.057 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.689 -9.689 -12.375 1.00 0.00 N ATOM 0 H LYS A 35 -12.329 -4.218 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.153 -5.995 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.886 -5.056 -14.470 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.301 -6.657 -14.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.803 -5.532 -12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.855 -6.303 -14.353 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.487 -8.219 -13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.238 -7.505 -11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.480 -7.760 -12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.714 -8.510 -14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.584 -10.162 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.892 -10.278 -12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.633 -9.551 -11.346 1.00 0.00 H new ATOM 507 N MET A 36 -9.077 -4.153 -11.894 1.00 0.00 N ATOM 508 CA MET A 36 -7.696 -3.736 -12.106 1.00 0.00 C ATOM 509 C MET A 36 -6.969 -3.564 -10.776 1.00 0.00 C ATOM 510 O MET A 36 -7.599 -3.409 -9.730 1.00 0.00 O ATOM 511 CB MET A 36 -7.652 -2.427 -12.898 1.00 0.00 C ATOM 512 CG MET A 36 -8.402 -1.287 -12.229 1.00 0.00 C ATOM 513 SD MET A 36 -8.879 0.007 -13.391 1.00 0.00 S ATOM 514 CE MET A 36 -7.820 1.349 -12.858 1.00 0.00 C ATOM 0 H MET A 36 -9.477 -3.852 -11.005 1.00 0.00 H new ATOM 0 HA MET A 36 -7.191 -4.515 -12.677 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.612 -2.133 -13.041 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.074 -2.597 -13.889 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.295 -1.680 -11.743 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.777 -0.855 -11.447 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.396 1.846 -13.730 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.404 2.065 -12.280 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.015 0.953 -12.239 1.00 0.00 H new ATOM 524 N ASP A 37 -5.642 -3.592 -10.825 1.00 0.00 N ATOM 525 CA ASP A 37 -4.829 -3.439 -9.623 1.00 0.00 C ATOM 526 C ASP A 37 -4.989 -2.041 -9.034 1.00 0.00 C ATOM 527 O ASP A 37 -5.590 -1.160 -9.652 1.00 0.00 O ATOM 528 CB ASP A 37 -3.357 -3.708 -9.939 1.00 0.00 C ATOM 529 CG ASP A 37 -3.141 -5.067 -10.574 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.828 -5.372 -11.571 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.284 -5.826 -10.074 1.00 0.00 O ATOM 0 H ASP A 37 -5.106 -3.719 -11.683 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.172 -4.166 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.985 -2.933 -10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.773 -3.642 -9.021 1.00 0.00 H new ATOM 536 N LEU A 38 -4.448 -1.843 -7.837 1.00 0.00 N ATOM 537 CA LEU A 38 -4.531 -0.552 -7.164 1.00 0.00 C ATOM 538 C LEU A 38 -3.271 0.272 -7.409 1.00 0.00 C ATOM 539 O LEU A 38 -2.169 -0.136 -7.042 1.00 0.00 O ATOM 540 CB LEU A 38 -4.740 -0.751 -5.661 1.00 0.00 C ATOM 541 CG LEU A 38 -6.039 -1.444 -5.250 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.844 -2.221 -3.958 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.161 -0.427 -5.098 1.00 0.00 C ATOM 0 H LEU A 38 -3.947 -2.560 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.383 -0.010 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.903 -1.331 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.704 0.225 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.317 -2.148 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.779 -2.707 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.071 -2.976 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.542 -1.538 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.078 -0.938 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.891 0.301 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.319 0.086 -6.047 1.00 0.00 H new ATOM 555 N TYR A 39 -3.442 1.434 -8.029 1.00 0.00 N ATOM 556 CA TYR A 39 -2.318 2.316 -8.324 1.00 0.00 C ATOM 557 C TYR A 39 -2.447 3.633 -7.566 1.00 0.00 C ATOM 558 O TYR A 39 -3.501 3.944 -7.012 1.00 0.00 O ATOM 559 CB TYR A 39 -2.235 2.585 -9.827 1.00 0.00 C ATOM 560 CG TYR A 39 -2.504 1.364 -10.677 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.794 0.874 -10.835 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.467 0.700 -11.322 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.045 -0.242 -11.611 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.709 -0.415 -12.100 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.999 -0.883 -12.241 1.00 0.00 C ATOM 566 OH TYR A 39 -3.243 -1.994 -13.014 1.00 0.00 O ATOM 0 H TYR A 39 -4.348 1.788 -8.337 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.403 1.819 -8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.951 3.364 -10.088 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.244 2.971 -10.064 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.615 1.374 -10.343 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.455 1.062 -11.213 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.054 -0.610 -11.723 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.892 -0.918 -12.596 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.399 -2.324 -13.387 1.00 0.00 H new ATOM 576 N VAL A 40 -1.365 4.405 -7.546 1.00 0.00 N ATOM 577 CA VAL A 40 -1.355 5.691 -6.858 1.00 0.00 C ATOM 578 C VAL A 40 -1.894 6.799 -7.756 1.00 0.00 C ATOM 579 O VAL A 40 -1.187 7.305 -8.628 1.00 0.00 O ATOM 580 CB VAL A 40 0.064 6.067 -6.393 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.024 7.296 -5.497 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.718 4.895 -5.675 1.00 0.00 C ATOM 0 H VAL A 40 -0.484 4.162 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.000 5.588 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 40 0.664 6.306 -7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.036 7.547 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.401 8.135 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.591 7.088 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.720 5.179 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.121 4.623 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.782 4.043 -6.352 1.00 0.00 H new ATOM 592 N LEU A 41 -3.150 7.171 -7.537 1.00 0.00 N ATOM 593 CA LEU A 41 -3.785 8.221 -8.327 1.00 0.00 C ATOM 594 C LEU A 41 -2.872 9.436 -8.453 1.00 0.00 C ATOM 595 O LEU A 41 -2.475 9.815 -9.555 1.00 0.00 O ATOM 596 CB LEU A 41 -5.114 8.631 -7.690 1.00 0.00 C ATOM 597 CG LEU A 41 -6.068 9.427 -8.581 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.406 10.709 -9.061 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.521 8.584 -9.764 1.00 0.00 C ATOM 0 H LEU A 41 -3.749 6.762 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.973 7.827 -9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.628 7.729 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.900 9.223 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.946 9.694 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.100 11.262 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.132 11.321 -8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.511 10.464 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.199 9.167 -10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.653 8.286 -10.352 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.036 7.694 -9.401 1.00 0.00 H new ATOM 611 N ARG A 42 -2.540 10.040 -7.317 1.00 0.00 N ATOM 612 CA ARG A 42 -1.672 11.212 -7.300 1.00 0.00 C ATOM 613 C ARG A 42 -0.989 11.363 -5.944 1.00 0.00 C ATOM 614 O ARG A 42 -1.378 10.723 -4.966 1.00 0.00 O ATOM 615 CB ARG A 42 -2.476 12.473 -7.621 1.00 0.00 C ATOM 616 CG ARG A 42 -3.050 13.159 -6.393 1.00 0.00 C ATOM 617 CD ARG A 42 -3.972 12.231 -5.617 1.00 0.00 C ATOM 618 NE ARG A 42 -4.993 12.967 -4.877 1.00 0.00 N ATOM 619 CZ ARG A 42 -6.040 13.550 -5.451 1.00 0.00 C ATOM 620 NH1 ARG A 42 -6.203 13.482 -6.765 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.927 14.201 -4.710 1.00 0.00 N ATOM 0 H ARG A 42 -2.859 9.738 -6.396 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.904 11.075 -8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.835 13.176 -8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.292 12.212 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.237 13.490 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.600 14.050 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.453 11.538 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.383 11.632 -4.923 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.897 13.038 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.524 12.981 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.008 13.930 -7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.806 14.254 -3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.730 14.648 -5.152 1.00 0.00 H new ATOM 635 N LEU A 43 0.031 12.212 -5.893 1.00 0.00 N ATOM 636 CA LEU A 43 0.769 12.448 -4.657 1.00 0.00 C ATOM 637 C LEU A 43 0.604 13.891 -4.190 1.00 0.00 C ATOM 638 O LEU A 43 0.426 14.799 -5.001 1.00 0.00 O ATOM 639 CB LEU A 43 2.253 12.131 -4.857 1.00 0.00 C ATOM 640 CG LEU A 43 2.670 10.683 -4.602 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.185 10.550 -4.638 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.122 10.197 -3.268 1.00 0.00 C ATOM 0 H LEU A 43 0.366 12.749 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 43 0.363 11.789 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.525 12.392 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.834 12.777 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 43 2.252 10.060 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.464 9.512 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.554 10.857 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.624 11.185 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.429 9.164 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.510 10.823 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.034 10.255 -3.279 1.00 0.00 H new ATOM 654 N ALA A 44 0.667 14.093 -2.878 1.00 0.00 N ATOM 655 CA ALA A 44 0.528 15.426 -2.304 1.00 0.00 C ATOM 656 C ALA A 44 1.877 16.133 -2.225 1.00 0.00 C ATOM 657 O ALA A 44 2.776 15.695 -1.507 1.00 0.00 O ATOM 658 CB ALA A 44 -0.107 15.342 -0.924 1.00 0.00 C ATOM 0 H ALA A 44 0.813 13.351 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.121 16.010 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.205 16.344 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.093 14.885 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.521 14.737 -0.271 1.00 0.00 H new ATOM 664 N GLU A 45 2.011 17.227 -2.968 1.00 0.00 N ATOM 665 CA GLU A 45 3.252 17.992 -2.983 1.00 0.00 C ATOM 666 C GLU A 45 3.647 18.415 -1.571 1.00 0.00 C ATOM 667 O GLU A 45 4.829 18.589 -1.271 1.00 0.00 O ATOM 668 CB GLU A 45 3.105 19.227 -3.874 1.00 0.00 C ATOM 669 CG GLU A 45 2.299 20.346 -3.236 1.00 0.00 C ATOM 670 CD GLU A 45 3.156 21.283 -2.406 1.00 0.00 C ATOM 671 OE1 GLU A 45 4.394 21.117 -2.413 1.00 0.00 O ATOM 672 OE2 GLU A 45 2.588 22.181 -1.751 1.00 0.00 O ATOM 0 H GLU A 45 1.276 17.603 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 45 4.038 17.353 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.097 19.603 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.628 18.935 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.795 20.916 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.522 19.915 -2.604 1.00 0.00 H new ATOM 679 N ASP A 46 2.651 18.578 -0.708 1.00 0.00 N ATOM 680 CA ASP A 46 2.893 18.980 0.673 1.00 0.00 C ATOM 681 C ASP A 46 2.506 17.864 1.639 1.00 0.00 C ATOM 682 O ASP A 46 2.146 18.121 2.787 1.00 0.00 O ATOM 683 CB ASP A 46 2.109 20.251 1.002 1.00 0.00 C ATOM 684 CG ASP A 46 2.249 20.658 2.456 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.307 21.215 2.817 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.300 20.420 3.232 1.00 0.00 O ATOM 0 H ASP A 46 1.668 18.438 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 46 3.958 19.181 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.457 21.064 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.055 20.094 0.771 1.00 0.00 H new ATOM 691 N GLY A 47 2.581 16.624 1.165 1.00 0.00 N ATOM 692 CA GLY A 47 2.234 15.489 1.999 1.00 0.00 C ATOM 693 C GLY A 47 3.445 14.665 2.390 1.00 0.00 C ATOM 694 O GLY A 47 4.546 14.857 1.873 1.00 0.00 O ATOM 0 H GLY A 47 2.876 16.386 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.733 15.844 2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.523 14.856 1.468 1.00 0.00 H new ATOM 698 N PRO A 48 3.249 13.725 3.326 1.00 0.00 N ATOM 699 CA PRO A 48 4.323 12.852 3.808 1.00 0.00 C ATOM 700 C PRO A 48 4.770 11.847 2.753 1.00 0.00 C ATOM 701 O PRO A 48 5.908 11.377 2.772 1.00 0.00 O ATOM 702 CB PRO A 48 3.686 12.129 4.998 1.00 0.00 C ATOM 703 CG PRO A 48 2.223 12.153 4.717 1.00 0.00 C ATOM 704 CD PRO A 48 1.963 13.441 3.986 1.00 0.00 C ATOM 0 HA PRO A 48 5.221 13.414 4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.056 11.107 5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.917 12.632 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.927 11.295 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.647 12.106 5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.155 13.336 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.677 14.240 4.670 1.00 0.00 H new ATOM 712 N ALA A 49 3.869 11.521 1.832 1.00 0.00 N ATOM 713 CA ALA A 49 4.173 10.574 0.766 1.00 0.00 C ATOM 714 C ALA A 49 5.228 11.134 -0.182 1.00 0.00 C ATOM 715 O ALA A 49 6.350 10.630 -0.243 1.00 0.00 O ATOM 716 CB ALA A 49 2.907 10.218 0.000 1.00 0.00 C ATOM 0 H ALA A 49 2.922 11.899 1.803 1.00 0.00 H new ATOM 0 HA ALA A 49 4.576 9.669 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.148 9.510 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.184 9.768 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.480 11.121 -0.437 1.00 0.00 H new ATOM 722 N ILE A 50 4.861 12.176 -0.919 1.00 0.00 N ATOM 723 CA ILE A 50 5.776 12.804 -1.864 1.00 0.00 C ATOM 724 C ILE A 50 7.144 13.036 -1.231 1.00 0.00 C ATOM 725 O ILE A 50 8.152 13.141 -1.930 1.00 0.00 O ATOM 726 CB ILE A 50 5.224 14.148 -2.375 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.783 14.458 -3.765 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.564 15.265 -1.400 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.954 15.456 -4.541 1.00 0.00 C ATOM 0 H ILE A 50 3.936 12.604 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 50 5.879 12.120 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 50 4.139 14.074 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.798 14.843 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.850 13.532 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.167 16.208 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.122 15.046 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.646 15.342 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.410 15.628 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.946 15.065 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.908 16.396 -3.992 1.00 0.00 H new ATOM 741 N ARG A 51 7.171 13.114 0.095 1.00 0.00 N ATOM 742 CA ARG A 51 8.416 13.334 0.822 1.00 0.00 C ATOM 743 C ARG A 51 9.115 12.010 1.115 1.00 0.00 C ATOM 744 O ARG A 51 10.341 11.951 1.206 1.00 0.00 O ATOM 745 CB ARG A 51 8.142 14.078 2.130 1.00 0.00 C ATOM 746 CG ARG A 51 7.440 15.413 1.936 1.00 0.00 C ATOM 747 CD ARG A 51 6.784 15.889 3.223 1.00 0.00 C ATOM 748 NE ARG A 51 7.747 16.497 4.136 1.00 0.00 N ATOM 749 CZ ARG A 51 7.444 16.891 5.368 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.211 16.741 5.831 1.00 0.00 N ATOM 751 NH2 ARG A 51 8.376 17.437 6.140 1.00 0.00 N ATOM 0 H ARG A 51 6.346 13.028 0.688 1.00 0.00 H new ATOM 0 HA ARG A 51 9.071 13.941 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.532 13.447 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.087 14.246 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.160 16.158 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.686 15.319 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.003 16.612 2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.299 15.046 3.716 1.00 0.00 H new ATOM 0 HE ARG A 51 8.705 16.626 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.492 16.322 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.981 17.044 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.326 17.554 5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.142 17.739 7.086 1.00 0.00 H new ATOM 765 N ASN A 52 8.327 10.950 1.262 1.00 0.00 N ATOM 766 CA ASN A 52 8.870 9.626 1.545 1.00 0.00 C ATOM 767 C ASN A 52 9.800 9.169 0.426 1.00 0.00 C ATOM 768 O ASN A 52 10.983 8.916 0.651 1.00 0.00 O ATOM 769 CB ASN A 52 7.737 8.615 1.727 1.00 0.00 C ATOM 770 CG ASN A 52 8.079 7.254 1.153 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.077 6.641 1.532 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.250 6.774 0.233 1.00 0.00 N ATOM 0 H ASN A 52 7.310 10.982 1.190 1.00 0.00 H new ATOM 0 HA ASN A 52 9.445 9.687 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.512 8.512 2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.835 8.993 1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.429 5.863 -0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.434 7.316 -0.051 1.00 0.00 H new ATOM 779 N GLY A 53 9.257 9.066 -0.783 1.00 0.00 N ATOM 780 CA GLY A 53 10.052 8.640 -1.920 1.00 0.00 C ATOM 781 C GLY A 53 9.832 7.181 -2.267 1.00 0.00 C ATOM 782 O GLY A 53 9.511 6.848 -3.408 1.00 0.00 O ATOM 0 H GLY A 53 8.280 9.270 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.805 9.257 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.108 8.804 -1.703 1.00 0.00 H new ATOM 786 N ARG A 54 10.007 6.307 -1.281 1.00 0.00 N ATOM 787 CA ARG A 54 9.829 4.875 -1.488 1.00 0.00 C ATOM 788 C ARG A 54 8.701 4.606 -2.480 1.00 0.00 C ATOM 789 O ARG A 54 8.733 3.622 -3.219 1.00 0.00 O ATOM 790 CB ARG A 54 9.530 4.179 -0.159 1.00 0.00 C ATOM 791 CG ARG A 54 10.763 3.953 0.701 1.00 0.00 C ATOM 792 CD ARG A 54 10.475 2.997 1.848 1.00 0.00 C ATOM 793 NE ARG A 54 11.396 3.189 2.965 1.00 0.00 N ATOM 794 CZ ARG A 54 12.647 2.744 2.970 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.125 2.086 1.924 1.00 0.00 N ATOM 796 NH2 ARG A 54 13.424 2.959 4.025 1.00 0.00 N ATOM 0 H ARG A 54 10.272 6.566 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 54 10.756 4.475 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.811 4.777 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.057 3.218 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.569 3.552 0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.110 4.907 1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.451 3.143 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.548 1.970 1.491 1.00 0.00 H new ATOM 0 HE ARG A 54 11.060 3.692 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.531 1.920 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.087 1.746 1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.060 3.466 4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.385 2.617 4.029 1.00 0.00 H new ATOM 810 N MET A 55 7.706 5.486 -2.490 1.00 0.00 N ATOM 811 CA MET A 55 6.568 5.343 -3.392 1.00 0.00 C ATOM 812 C MET A 55 6.260 6.663 -4.091 1.00 0.00 C ATOM 813 O MET A 55 6.416 7.736 -3.508 1.00 0.00 O ATOM 814 CB MET A 55 5.337 4.860 -2.622 1.00 0.00 C ATOM 815 CG MET A 55 4.656 5.955 -1.818 1.00 0.00 C ATOM 816 SD MET A 55 3.032 5.461 -1.209 1.00 0.00 S ATOM 817 CE MET A 55 1.967 6.515 -2.191 1.00 0.00 C ATOM 0 H MET A 55 7.664 6.306 -1.884 1.00 0.00 H new ATOM 0 HA MET A 55 6.827 4.603 -4.149 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.620 4.438 -3.327 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.632 4.056 -1.948 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.289 6.228 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.552 6.845 -2.439 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.963 6.092 -2.219 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.930 7.510 -1.747 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.360 6.585 -3.205 1.00 0.00 H new ATOM 827 N ARG A 56 5.822 6.576 -5.343 1.00 0.00 N ATOM 828 CA ARG A 56 5.494 7.764 -6.122 1.00 0.00 C ATOM 829 C ARG A 56 4.253 7.527 -6.978 1.00 0.00 C ATOM 830 O ARG A 56 3.834 6.387 -7.180 1.00 0.00 O ATOM 831 CB ARG A 56 6.673 8.158 -7.013 1.00 0.00 C ATOM 832 CG ARG A 56 7.629 9.142 -6.358 1.00 0.00 C ATOM 833 CD ARG A 56 8.670 8.428 -5.510 1.00 0.00 C ATOM 834 NE ARG A 56 9.932 9.161 -5.461 1.00 0.00 N ATOM 835 CZ ARG A 56 10.850 9.109 -6.420 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.647 8.363 -7.497 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.974 9.805 -6.302 1.00 0.00 N ATOM 0 H ARG A 56 5.686 5.695 -5.839 1.00 0.00 H new ATOM 0 HA ARG A 56 5.286 8.577 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.224 7.259 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.290 8.595 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.127 9.733 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.066 9.838 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.286 8.299 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.845 7.431 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 56 10.119 9.745 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.784 7.827 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.354 8.325 -8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.133 10.380 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.678 9.765 -7.039 1.00 0.00 H new ATOM 851 N VAL A 57 3.669 8.611 -7.478 1.00 0.00 N ATOM 852 CA VAL A 57 2.477 8.522 -8.312 1.00 0.00 C ATOM 853 C VAL A 57 2.799 7.901 -9.666 1.00 0.00 C ATOM 854 O VAL A 57 3.778 8.271 -10.314 1.00 0.00 O ATOM 855 CB VAL A 57 1.841 9.907 -8.533 1.00 0.00 C ATOM 856 CG1 VAL A 57 2.913 10.986 -8.578 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.012 9.915 -9.808 1.00 0.00 C ATOM 0 H VAL A 57 4.003 9.562 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 57 1.768 7.886 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 57 1.178 10.121 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.445 11.958 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.460 10.995 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.603 10.779 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.570 10.901 -9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.651 9.679 -10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.220 9.170 -9.732 1.00 0.00 H new ATOM 867 N GLY A 58 1.968 6.953 -10.090 1.00 0.00 N ATOM 868 CA GLY A 58 2.181 6.296 -11.366 1.00 0.00 C ATOM 869 C GLY A 58 2.722 4.888 -11.210 1.00 0.00 C ATOM 870 O GLY A 58 3.171 4.277 -12.179 1.00 0.00 O ATOM 0 H GLY A 58 1.151 6.629 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.240 6.262 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.877 6.885 -11.963 1.00 0.00 H new ATOM 874 N ASP A 59 2.680 4.373 -9.986 1.00 0.00 N ATOM 875 CA ASP A 59 3.170 3.028 -9.705 1.00 0.00 C ATOM 876 C ASP A 59 2.011 2.046 -9.562 1.00 0.00 C ATOM 877 O ASP A 59 0.847 2.425 -9.682 1.00 0.00 O ATOM 878 CB ASP A 59 4.017 3.026 -8.432 1.00 0.00 C ATOM 879 CG ASP A 59 5.336 3.753 -8.612 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.311 4.939 -9.002 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.392 3.135 -8.363 1.00 0.00 O ATOM 0 H ASP A 59 2.312 4.866 -9.173 1.00 0.00 H new ATOM 0 HA ASP A 59 3.789 2.711 -10.544 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.455 3.495 -7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.211 1.997 -8.130 1.00 0.00 H new ATOM 886 N GLN A 60 2.340 0.784 -9.305 1.00 0.00 N ATOM 887 CA GLN A 60 1.326 -0.252 -9.147 1.00 0.00 C ATOM 888 C GLN A 60 1.444 -0.925 -7.784 1.00 0.00 C ATOM 889 O GLN A 60 2.477 -1.509 -7.457 1.00 0.00 O ATOM 890 CB GLN A 60 1.456 -1.296 -10.258 1.00 0.00 C ATOM 891 CG GLN A 60 0.182 -2.089 -10.499 1.00 0.00 C ATOM 892 CD GLN A 60 0.109 -3.347 -9.657 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.478 -3.232 -8.471 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.576 -4.410 -10.067 1.00 0.00 N flip ATOM 0 H GLN A 60 3.300 0.455 -9.202 1.00 0.00 H new ATOM 0 HA GLN A 60 0.346 0.220 -9.215 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.744 -0.796 -11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.261 -1.986 -10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.680 -1.459 -10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.120 -2.358 -11.553 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.018 -4.452 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.520 -5.248 -9.489 1.00 0.00 H new ATOM 903 N ILE A 61 0.379 -0.838 -6.993 1.00 0.00 N ATOM 904 CA ILE A 61 0.364 -1.440 -5.666 1.00 0.00 C ATOM 905 C ILE A 61 -0.240 -2.840 -5.704 1.00 0.00 C ATOM 906 O ILE A 61 -1.370 -3.027 -6.156 1.00 0.00 O ATOM 907 CB ILE A 61 -0.430 -0.578 -4.666 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.003 0.888 -4.773 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.229 -1.091 -3.248 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.076 1.862 -4.338 1.00 0.00 C ATOM 0 H ILE A 61 -0.483 -0.357 -7.248 1.00 0.00 H new ATOM 0 HA ILE A 61 1.401 -1.503 -5.336 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.490 -0.648 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.887 1.044 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.275 1.103 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.796 -0.472 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.576 -2.122 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.830 -1.047 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.705 2.882 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.959 1.733 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.338 1.674 -3.297 1.00 0.00 H new ATOM 922 N ILE A 62 0.519 -3.819 -5.225 1.00 0.00 N ATOM 923 CA ILE A 62 0.058 -5.201 -5.201 1.00 0.00 C ATOM 924 C ILE A 62 -0.420 -5.598 -3.808 1.00 0.00 C ATOM 925 O ILE A 62 -1.260 -6.485 -3.659 1.00 0.00 O ATOM 926 CB ILE A 62 1.166 -6.173 -5.647 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.544 -5.592 -5.323 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.046 -6.467 -7.135 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.007 -4.546 -6.313 1.00 0.00 C ATOM 0 H ILE A 62 1.457 -3.681 -4.848 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.775 -5.267 -5.901 1.00 0.00 H new ATOM 0 HB ILE A 62 1.049 -7.109 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.518 -5.151 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.273 -6.402 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.836 -7.155 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.075 -6.918 -7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.141 -5.539 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.991 -4.178 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.065 -4.987 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.299 -3.717 -6.325 1.00 0.00 H new ATOM 941 N GLU A 63 0.119 -4.932 -2.792 1.00 0.00 N ATOM 942 CA GLU A 63 -0.254 -5.215 -1.411 1.00 0.00 C ATOM 943 C GLU A 63 -0.493 -3.922 -0.636 1.00 0.00 C ATOM 944 O GLU A 63 0.021 -2.864 -1.001 1.00 0.00 O ATOM 945 CB GLU A 63 0.836 -6.040 -0.724 1.00 0.00 C ATOM 946 CG GLU A 63 0.490 -6.440 0.701 1.00 0.00 C ATOM 947 CD GLU A 63 1.521 -7.368 1.313 1.00 0.00 C ATOM 948 OE1 GLU A 63 1.619 -8.527 0.859 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.229 -6.935 2.246 1.00 0.00 O ATOM 0 H GLU A 63 0.815 -4.194 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.181 -5.788 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.022 -6.940 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.763 -5.467 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.403 -5.544 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.484 -6.928 0.711 1.00 0.00 H new ATOM 956 N ILE A 64 -1.276 -4.016 0.433 1.00 0.00 N ATOM 957 CA ILE A 64 -1.583 -2.855 1.259 1.00 0.00 C ATOM 958 C ILE A 64 -1.744 -3.249 2.723 1.00 0.00 C ATOM 959 O ILE A 64 -2.474 -4.184 3.048 1.00 0.00 O ATOM 960 CB ILE A 64 -2.868 -2.150 0.785 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.683 -1.605 -0.633 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.243 -1.031 1.744 1.00 0.00 C ATOM 963 CD1 ILE A 64 -3.933 -0.974 -1.205 1.00 0.00 C ATOM 0 H ILE A 64 -1.709 -4.884 0.748 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.743 -2.167 1.160 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.680 -2.877 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.882 -0.866 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.363 -2.417 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.153 -0.543 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.412 -1.445 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.434 -0.302 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.729 -0.610 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.731 -1.716 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.242 -0.141 -0.573 1.00 0.00 H new ATOM 975 N ASN A 65 -1.057 -2.528 3.603 1.00 0.00 N ATOM 976 CA ASN A 65 -1.125 -2.801 5.034 1.00 0.00 C ATOM 977 C ASN A 65 -0.924 -4.288 5.314 1.00 0.00 C ATOM 978 O ASN A 65 -1.611 -4.871 6.151 1.00 0.00 O ATOM 979 CB ASN A 65 -2.470 -2.342 5.600 1.00 0.00 C ATOM 980 CG ASN A 65 -2.680 -0.848 5.450 1.00 0.00 C ATOM 981 OD1 ASN A 65 -2.279 -0.250 4.451 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.312 -0.237 6.446 1.00 0.00 N ATOM 0 H ASN A 65 -0.447 -1.750 3.350 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.325 -2.245 5.522 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.275 -2.872 5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.528 -2.610 6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.482 0.768 6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.627 -0.773 7.255 1.00 0.00 H new ATOM 1072 N MET A 72 -9.658 -7.052 -3.486 1.00 0.00 N ATOM 1073 CA MET A 72 -10.067 -5.848 -2.772 1.00 0.00 C ATOM 1074 C MET A 72 -10.528 -4.768 -3.746 1.00 0.00 C ATOM 1075 O MET A 72 -9.999 -4.647 -4.852 1.00 0.00 O ATOM 1076 CB MET A 72 -8.914 -5.320 -1.916 1.00 0.00 C ATOM 1077 CG MET A 72 -8.170 -6.410 -1.161 1.00 0.00 C ATOM 1078 SD MET A 72 -7.445 -5.816 0.380 1.00 0.00 S ATOM 1079 CE MET A 72 -6.717 -4.272 -0.161 1.00 0.00 C ATOM 0 HA MET A 72 -10.903 -6.108 -2.123 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.211 -4.788 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.305 -4.596 -1.201 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.856 -7.229 -0.944 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.382 -6.814 -1.797 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.807 -4.080 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.475 -4.336 -1.222 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.425 -3.459 0.001 1.00 0.00 H new ATOM 1089 N THR A 73 -11.518 -3.985 -3.329 1.00 0.00 N ATOM 1090 CA THR A 73 -12.051 -2.917 -4.165 1.00 0.00 C ATOM 1091 C THR A 73 -11.494 -1.561 -3.746 1.00 0.00 C ATOM 1092 O THR A 73 -11.202 -1.335 -2.571 1.00 0.00 O ATOM 1093 CB THR A 73 -13.589 -2.869 -4.103 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.027 -2.945 -2.742 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.199 -4.011 -4.902 1.00 0.00 C ATOM 0 H THR A 73 -11.967 -4.071 -2.417 1.00 0.00 H new ATOM 0 HA THR A 73 -11.743 -3.133 -5.188 1.00 0.00 H new ATOM 0 HB THR A 73 -13.919 -1.926 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.006 -2.912 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.286 -3.956 -4.843 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.887 -3.933 -5.944 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.861 -4.963 -4.492 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.350 -0.660 -4.713 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.829 0.675 -4.443 1.00 0.00 C ATOM 1105 C HIS A 74 -11.279 1.167 -3.071 1.00 0.00 C ATOM 1106 O HIS A 74 -10.552 1.890 -2.391 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.290 1.653 -5.525 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.486 2.916 -5.572 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.846 4.010 -6.330 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.334 3.256 -4.947 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.950 4.967 -6.171 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -9.022 4.535 -5.336 1.00 0.00 N ATOM 0 H HIS A 74 -11.587 -0.830 -5.690 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.740 0.622 -4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.235 1.160 -6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.337 1.904 -5.354 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.766 2.636 -4.269 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.972 5.938 -6.643 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.206 5.065 -5.030 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.483 0.769 -2.671 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.029 1.168 -1.380 1.00 0.00 C ATOM 1123 C ALA A 75 -12.204 0.594 -0.233 1.00 0.00 C ATOM 1124 O ALA A 75 -11.743 1.327 0.642 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.480 0.727 -1.261 1.00 0.00 C ATOM 0 H ALA A 75 -13.098 0.171 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.985 2.255 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.875 1.032 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.067 1.190 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.539 -0.358 -1.352 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.021 -0.723 -0.244 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.252 -1.396 0.797 1.00 0.00 C ATOM 1133 C ARG A 76 -9.917 -0.694 1.026 1.00 0.00 C ATOM 1134 O ARG A 76 -9.570 -0.352 2.156 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.014 -2.859 0.419 1.00 0.00 C ATOM 1136 CG ARG A 76 -9.930 -3.532 1.244 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.293 -3.565 2.720 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.978 -4.801 3.088 1.00 0.00 N ATOM 1139 CZ ARG A 76 -11.241 -5.151 4.342 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -10.879 -4.361 5.344 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -11.869 -6.292 4.596 1.00 0.00 N ATOM 0 H ARG A 76 -12.394 -1.345 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.827 -1.356 1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.946 -3.412 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.743 -2.914 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.775 -4.549 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.988 -3.000 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.388 -3.460 3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.931 -2.713 2.955 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.271 -5.430 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.398 -3.482 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.082 -4.632 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.150 -6.901 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.070 -6.560 5.559 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.172 -0.484 -0.055 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.875 0.177 0.028 1.00 0.00 C ATOM 1157 C ALA A 77 -7.984 1.508 0.765 1.00 0.00 C ATOM 1158 O ALA A 77 -7.177 1.808 1.645 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.301 0.388 -1.365 1.00 0.00 C ATOM 0 H ALA A 77 -9.444 -0.762 -0.998 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.201 -0.467 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.333 0.882 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.178 -0.576 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.981 1.009 -1.948 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.985 2.301 0.399 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.198 3.600 1.026 1.00 0.00 C ATOM 1167 C ILE A 78 -9.529 3.447 2.507 1.00 0.00 C ATOM 1168 O ILE A 78 -9.518 4.421 3.258 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.333 4.379 0.335 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -10.062 4.492 -1.166 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.483 5.759 0.958 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.250 5.711 -1.544 1.00 0.00 C ATOM 0 H ILE A 78 -9.661 2.067 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.268 4.159 0.920 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.267 3.835 0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.536 3.598 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.013 4.520 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.289 6.298 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.717 5.656 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.551 6.313 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.097 5.726 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.784 6.612 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.284 5.675 -1.041 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.822 2.217 2.919 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.155 1.938 4.310 1.00 0.00 C ATOM 1186 C GLU A 79 -8.924 1.471 5.081 1.00 0.00 C ATOM 1187 O GLU A 79 -8.703 1.873 6.224 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.254 0.876 4.391 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.181 0.018 5.643 1.00 0.00 C ATOM 1190 CD GLU A 79 -11.875 0.657 6.830 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -11.637 1.857 7.082 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.656 -0.043 7.507 1.00 0.00 O ATOM 0 H GLU A 79 -9.835 1.399 2.309 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.517 2.861 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.226 1.368 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.190 0.231 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.635 -0.952 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.136 -0.165 5.893 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.125 0.619 4.449 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.916 0.095 5.074 1.00 0.00 C ATOM 1201 C LEU A 80 -5.959 1.225 5.440 1.00 0.00 C ATOM 1202 O LEU A 80 -5.302 1.183 6.481 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.220 -0.894 4.137 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.007 -2.159 3.792 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.155 -3.107 2.963 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.494 -2.846 5.060 1.00 0.00 C ATOM 0 H LEU A 80 -8.293 0.276 3.503 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.205 -0.423 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.979 -0.376 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.275 -1.191 4.592 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.877 -1.874 3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.731 -4.002 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.856 -2.613 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.266 -3.387 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.052 -3.744 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.638 -3.119 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.141 -2.167 5.616 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.887 2.235 4.579 1.00 0.00 N ATOM 1219 CA ILE A 81 -5.014 3.378 4.814 1.00 0.00 C ATOM 1220 C ILE A 81 -5.402 4.113 6.092 1.00 0.00 C ATOM 1221 O ILE A 81 -4.546 4.642 6.802 1.00 0.00 O ATOM 1222 CB ILE A 81 -5.052 4.368 3.634 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.795 3.634 2.316 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -4.030 5.475 3.839 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.288 4.387 1.100 1.00 0.00 C ATOM 0 H ILE A 81 -6.423 2.285 3.713 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.002 2.986 4.916 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.043 4.820 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.725 3.453 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.281 2.659 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.069 6.166 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.255 6.012 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.032 5.041 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.073 3.808 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.363 4.545 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.783 5.351 1.040 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.698 4.141 6.382 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.201 4.807 7.577 1.00 0.00 C ATOM 1239 C LYS A 82 -7.427 3.806 8.705 1.00 0.00 C ATOM 1240 O LYS A 82 -7.533 4.184 9.872 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.507 5.542 7.264 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.333 4.879 6.176 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.621 5.640 5.911 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.359 6.929 5.147 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.526 7.852 5.200 1.00 0.00 N ATOM 0 H LYS A 82 -7.420 3.710 5.805 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.452 5.530 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.104 5.607 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.276 6.563 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.748 4.822 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.568 3.856 6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.306 5.011 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.111 5.870 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.483 7.427 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.128 6.695 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.308 8.718 4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.356 7.387 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.731 8.096 6.190 1.00 0.00 H new ATOM 1259 N SER A 83 -7.499 2.527 8.349 1.00 0.00 N ATOM 1260 CA SER A 83 -7.715 1.471 9.331 1.00 0.00 C ATOM 1261 C SER A 83 -6.396 1.047 9.972 1.00 0.00 C ATOM 1262 O SER A 83 -6.381 0.354 10.988 1.00 0.00 O ATOM 1263 CB SER A 83 -8.387 0.264 8.675 1.00 0.00 C ATOM 1264 OG SER A 83 -9.798 0.358 8.757 1.00 0.00 O ATOM 0 H SER A 83 -7.411 2.197 7.388 1.00 0.00 H new ATOM 0 HA SER A 83 -8.369 1.862 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.084 0.199 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.052 -0.652 9.162 1.00 0.00 H new ATOM 0 HG SER A 83 -10.193 -0.530 8.632 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.289 1.470 9.368 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.981 1.125 9.892 1.00 0.00 C ATOM 1272 C GLY A 84 -3.508 2.097 10.955 1.00 0.00 C ATOM 1273 O GLY A 84 -2.824 1.708 11.901 1.00 0.00 O ATOM 0 H GLY A 84 -5.275 2.045 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.015 0.120 10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.259 1.105 9.075 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.871 3.366 10.799 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.469 4.377 11.760 1.00 0.00 C ATOM 1279 C GLY A 85 -2.720 5.526 11.114 1.00 0.00 C ATOM 1280 O GLY A 85 -3.064 5.958 10.013 1.00 0.00 O ATOM 0 H GLY A 85 -4.437 3.713 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.353 4.763 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.838 3.919 12.522 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.696 6.023 11.799 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.899 7.131 11.286 1.00 0.00 C ATOM 1286 C ARG A 86 0.210 6.624 10.369 1.00 0.00 C ATOM 1287 O ARG A 86 0.735 7.371 9.542 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.294 7.929 12.442 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.140 9.118 12.870 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.789 9.574 14.277 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.868 10.345 14.888 1.00 0.00 N ATOM 1292 CZ ARG A 86 -2.036 10.463 16.200 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -1.199 9.863 17.035 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -3.042 11.183 16.680 1.00 0.00 N ATOM 0 H ARG A 86 -1.398 5.676 12.711 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.556 7.781 10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.155 7.266 13.296 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.694 8.284 12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.991 9.942 12.172 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.195 8.849 12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.570 8.704 14.896 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.117 10.180 14.246 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.529 10.819 14.273 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.424 9.309 16.670 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.330 9.955 18.042 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.688 11.647 16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.170 11.273 17.688 1.00 0.00 H new ATOM 1308 N ARG A 87 0.561 5.351 10.520 1.00 0.00 N ATOM 1309 CA ARG A 87 1.608 4.746 9.707 1.00 0.00 C ATOM 1310 C ARG A 87 1.029 3.681 8.780 1.00 0.00 C ATOM 1311 O ARG A 87 0.338 2.764 9.225 1.00 0.00 O ATOM 1312 CB ARG A 87 2.684 4.127 10.601 1.00 0.00 C ATOM 1313 CG ARG A 87 3.315 5.117 11.567 1.00 0.00 C ATOM 1314 CD ARG A 87 4.163 4.410 12.613 1.00 0.00 C ATOM 1315 NE ARG A 87 4.651 5.331 13.636 1.00 0.00 N ATOM 1316 CZ ARG A 87 5.381 4.952 14.679 1.00 0.00 C ATOM 1317 NH1 ARG A 87 5.707 3.676 14.836 1.00 0.00 N ATOM 1318 NH2 ARG A 87 5.788 5.850 15.567 1.00 0.00 N ATOM 0 H ARG A 87 0.135 4.719 11.198 1.00 0.00 H new ATOM 0 HA ARG A 87 2.058 5.530 9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.245 3.307 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.464 3.698 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.933 5.824 11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.533 5.695 12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.575 3.623 13.085 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.010 3.927 12.126 1.00 0.00 H new ATOM 0 HE ARG A 87 4.418 6.320 13.545 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.397 2.983 14.155 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.268 3.388 15.638 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.540 6.832 15.449 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.349 5.558 16.368 1.00 0.00 H new ATOM 1332 N VAL A 88 1.315 3.810 7.488 1.00 0.00 N ATOM 1333 CA VAL A 88 0.823 2.859 6.497 1.00 0.00 C ATOM 1334 C VAL A 88 1.974 2.236 5.715 1.00 0.00 C ATOM 1335 O VAL A 88 3.012 2.865 5.512 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.150 3.530 5.510 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.562 4.609 4.708 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.773 2.492 4.588 1.00 0.00 C ATOM 0 H VAL A 88 1.885 4.563 7.103 1.00 0.00 H new ATOM 0 HA VAL A 88 0.294 2.078 7.043 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.950 4.003 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.142 5.072 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.956 5.366 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.383 4.163 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.458 2.983 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.012 1.988 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.320 1.760 5.182 1.00 0.00 H new ATOM 1348 N ARG A 89 1.782 0.995 5.279 1.00 0.00 N ATOM 1349 CA ARG A 89 2.804 0.286 4.519 1.00 0.00 C ATOM 1350 C ARG A 89 2.175 -0.547 3.407 1.00 0.00 C ATOM 1351 O ARG A 89 1.303 -1.380 3.658 1.00 0.00 O ATOM 1352 CB ARG A 89 3.624 -0.615 5.445 1.00 0.00 C ATOM 1353 CG ARG A 89 4.496 -1.616 4.704 1.00 0.00 C ATOM 1354 CD ARG A 89 4.895 -2.778 5.601 1.00 0.00 C ATOM 1355 NE ARG A 89 5.843 -2.371 6.635 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.657 -3.215 7.259 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.639 -4.505 6.955 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.492 -2.768 8.188 1.00 0.00 N ATOM 0 H ARG A 89 0.928 0.460 5.439 1.00 0.00 H new ATOM 0 HA ARG A 89 3.463 1.026 4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.257 0.008 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.946 -1.155 6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.959 -1.994 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.391 -1.116 4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.004 -3.196 6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.337 -3.569 4.995 1.00 0.00 H new ATOM 0 HE ARG A 89 5.882 -1.385 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.999 -4.852 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.265 -5.151 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.509 -1.776 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.117 -3.417 8.667 1.00 0.00 H new ATOM 1372 N LEU A 90 2.622 -0.317 2.177 1.00 0.00 N ATOM 1373 CA LEU A 90 2.102 -1.046 1.025 1.00 0.00 C ATOM 1374 C LEU A 90 3.233 -1.461 0.089 1.00 0.00 C ATOM 1375 O LEU A 90 4.245 -0.769 -0.026 1.00 0.00 O ATOM 1376 CB LEU A 90 1.088 -0.186 0.268 1.00 0.00 C ATOM 1377 CG LEU A 90 1.258 1.327 0.402 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.869 2.025 -0.892 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.431 1.856 1.565 1.00 0.00 C ATOM 0 H LEU A 90 3.343 0.368 1.952 1.00 0.00 H new ATOM 0 HA LEU A 90 1.606 -1.946 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.140 -0.445 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.088 -0.451 0.612 1.00 0.00 H new ATOM 0 HG LEU A 90 2.308 1.539 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.997 3.101 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.504 1.669 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.173 1.806 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.564 2.935 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.622 1.632 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.758 1.380 2.490 1.00 0.00 H new ATOM 1391 N LEU A 91 3.053 -2.595 -0.579 1.00 0.00 N ATOM 1392 CA LEU A 91 4.057 -3.103 -1.508 1.00 0.00 C ATOM 1393 C LEU A 91 3.915 -2.445 -2.877 1.00 0.00 C ATOM 1394 O LEU A 91 2.893 -2.597 -3.548 1.00 0.00 O ATOM 1395 CB LEU A 91 3.932 -4.622 -1.644 1.00 0.00 C ATOM 1396 CG LEU A 91 5.171 -5.353 -2.164 1.00 0.00 C ATOM 1397 CD1 LEU A 91 4.904 -6.846 -2.270 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.597 -4.788 -3.511 1.00 0.00 C ATOM 0 H LEU A 91 2.222 -3.180 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 91 5.042 -2.860 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.674 -5.034 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.099 -4.840 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 91 5.985 -5.200 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.796 -7.350 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.647 -7.240 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.076 -7.020 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.480 -5.320 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.787 -4.910 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.830 -3.729 -3.404 1.00 0.00 H new ATOM 1410 N LEU A 92 4.947 -1.715 -3.286 1.00 0.00 N ATOM 1411 CA LEU A 92 4.938 -1.035 -4.577 1.00 0.00 C ATOM 1412 C LEU A 92 6.237 -1.290 -5.335 1.00 0.00 C ATOM 1413 O LEU A 92 7.276 -1.565 -4.734 1.00 0.00 O ATOM 1414 CB LEU A 92 4.735 0.469 -4.382 1.00 0.00 C ATOM 1415 CG LEU A 92 4.295 1.252 -5.619 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.788 1.156 -5.803 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.729 2.707 -5.511 1.00 0.00 C ATOM 0 H LEU A 92 5.800 -1.579 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 92 4.111 -1.434 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.991 0.617 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.669 0.897 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 92 4.776 0.814 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.493 1.719 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.502 0.111 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.287 1.569 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.408 3.250 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.276 3.157 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.815 2.758 -5.428 1.00 0.00 H new