USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 30 TYR OH : rot -1:sc= -0.989 USER MOD Set 1.2: A 81 ASN : amide:sc= -3.62 K(o=-2.5,f=-11!) USER MOD Set 1.3: A 82 THR OG1 : rot -55:sc= -0.0366 USER MOD Set 1.4: A 98 THR OG1 : rot 71:sc= 2.17 USER MOD Set 2.1: A 66 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.13) USER MOD Set 2.2: A 80 TYR OH : rot 150:sc= -0.01 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Set 3.2: A 34 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-6.6!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.483 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0529) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.04 K(o=-2,f=-9.5!) USER MOD Single : A 54 THR OG1 : rot -48:sc= 1.38 USER MOD Single : A 55 SER OG : rot -96:sc= 0.0876 USER MOD Single : A 58 CYS SG : rot 180:sc= -2.02 USER MOD Single : A 60 GLN : amide:sc=-0.00112 X(o=-0.0011,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.6) USER MOD Single : A 71 THR OG1 : rot -33:sc= 0.804 USER MOD Single : A 73 SER OG : rot -150:sc= -2.11 USER MOD Single : A 78 SER OG : rot -34:sc= -0.287 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0998 USER MOD Single : A 88 CYS SG : rot 140:sc= -2.8! USER MOD Single : A 90 HIS : no HE2:sc= -4.58! C(o=-4.6!,f=-5.3!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -164:sc= -1.43 (180deg=-2.29) USER MOD Single : A 99 LYS NZ :NH3+ 150:sc= -0.303 (180deg=-1.15!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 1.107 12.524 6.715 1.00 0.00 N ATOM 117 CA LEU A 9 2.190 11.918 7.482 1.00 0.00 C ATOM 118 C LEU A 9 2.523 12.769 8.702 1.00 0.00 C ATOM 119 O LEU A 9 1.888 13.791 8.952 1.00 0.00 O ATOM 120 CB LEU A 9 3.379 11.707 6.530 1.00 0.00 C ATOM 121 CG LEU A 9 3.260 10.570 5.529 1.00 0.00 C ATOM 122 CD1 LEU A 9 3.921 10.932 4.208 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.912 9.326 6.120 1.00 0.00 C ATOM 0 HA LEU A 9 1.900 10.946 7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.540 12.632 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.271 11.537 7.133 1.00 0.00 H new ATOM 0 HG LEU A 9 2.205 10.380 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.821 10.100 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.439 11.816 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.978 11.140 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.833 8.502 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.963 9.529 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.407 9.056 7.047 1.00 0.00 H new ATOM 135 N SER A 10 3.606 12.396 9.377 1.00 0.00 N ATOM 136 CA SER A 10 4.184 13.227 10.425 1.00 0.00 C ATOM 137 C SER A 10 5.371 14.017 9.877 1.00 0.00 C ATOM 138 O SER A 10 5.866 13.717 8.788 1.00 0.00 O ATOM 139 CB SER A 10 4.590 12.397 11.636 1.00 0.00 C ATOM 140 OG SER A 10 5.813 11.718 11.413 1.00 0.00 O ATOM 0 H SER A 10 4.102 11.520 9.215 1.00 0.00 H new ATOM 0 HA SER A 10 3.422 13.931 10.758 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.686 13.045 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.807 11.673 11.862 1.00 0.00 H new ATOM 0 HG SER A 10 6.047 11.196 12.209 1.00 0.00 H new ATOM 146 N GLY A 11 6.029 14.739 10.786 1.00 0.00 N ATOM 147 CA GLY A 11 7.163 15.574 10.412 1.00 0.00 C ATOM 148 C GLY A 11 8.286 14.721 9.831 1.00 0.00 C ATOM 149 O GLY A 11 8.606 14.827 8.647 1.00 0.00 O ATOM 0 H GLY A 11 5.795 14.760 11.779 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.848 16.319 9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.525 16.117 11.285 1.00 0.00 H new ATOM 153 N GLY A 12 8.670 13.700 10.595 1.00 0.00 N ATOM 154 CA GLY A 12 9.744 12.805 10.190 1.00 0.00 C ATOM 155 C GLY A 12 9.277 11.884 9.068 1.00 0.00 C ATOM 156 O GLY A 12 10.050 11.532 8.178 1.00 0.00 O ATOM 0 H GLY A 12 8.251 13.475 11.497 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.604 13.386 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.072 12.211 11.043 1.00 0.00 H new ATOM 160 N GLU A 13 8.053 11.387 9.210 1.00 0.00 N ATOM 161 CA GLU A 13 7.557 10.303 8.373 1.00 0.00 C ATOM 162 C GLU A 13 7.288 10.807 6.957 1.00 0.00 C ATOM 163 O GLU A 13 7.567 10.109 5.981 1.00 0.00 O ATOM 164 CB GLU A 13 6.276 9.767 9.025 1.00 0.00 C ATOM 165 CG GLU A 13 6.244 8.824 10.085 1.00 0.00 C ATOM 166 CD GLU A 13 4.901 8.296 10.492 1.00 0.00 C ATOM 167 OE1 GLU A 13 3.855 8.590 9.941 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.964 7.585 11.519 1.00 0.00 O ATOM 0 H GLU A 13 7.383 11.721 9.902 1.00 0.00 H new ATOM 0 HA GLU A 13 8.295 9.505 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.732 10.641 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.686 9.333 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.869 7.977 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.706 9.283 10.959 1.00 0.00 H new ATOM 175 N LEU A 14 6.958 12.091 6.859 1.00 0.00 N ATOM 176 CA LEU A 14 7.026 12.816 5.596 1.00 0.00 C ATOM 177 C LEU A 14 8.468 12.823 5.075 1.00 0.00 C ATOM 178 O LEU A 14 8.699 12.514 3.904 1.00 0.00 O ATOM 179 CB LEU A 14 6.470 14.229 5.838 1.00 0.00 C ATOM 180 CG LEU A 14 5.815 14.921 4.655 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.728 14.899 3.436 1.00 0.00 C ATOM 182 CD2 LEU A 14 4.501 14.212 4.340 1.00 0.00 C ATOM 0 H LEU A 14 6.638 12.654 7.647 1.00 0.00 H new ATOM 0 HA LEU A 14 6.425 12.335 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.740 14.173 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.287 14.859 6.190 1.00 0.00 H new ATOM 0 HG LEU A 14 5.626 15.964 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.235 15.401 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.660 15.414 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.943 13.866 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.019 14.699 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.700 13.169 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.844 14.261 5.208 1.00 0.00 H new ATOM 194 N ASP A 15 9.326 13.513 5.824 1.00 0.00 N ATOM 195 CA ASP A 15 10.659 13.859 5.355 1.00 0.00 C ATOM 196 C ASP A 15 11.457 12.593 5.043 1.00 0.00 C ATOM 197 O ASP A 15 12.377 12.621 4.225 1.00 0.00 O ATOM 198 CB ASP A 15 11.363 14.818 6.310 1.00 0.00 C ATOM 199 CG ASP A 15 12.638 15.409 5.739 1.00 0.00 C ATOM 200 OD1 ASP A 15 13.638 14.659 5.724 1.00 0.00 O ATOM 201 OD2 ASP A 15 12.660 16.572 5.307 1.00 0.00 O ATOM 0 H ASP A 15 9.116 13.844 6.766 1.00 0.00 H new ATOM 0 HA ASP A 15 10.574 14.410 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.680 15.627 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.598 14.291 7.235 1.00 0.00 H new ATOM 206 N LYS A 16 10.894 11.463 5.464 1.00 0.00 N ATOM 207 CA LYS A 16 11.400 10.155 5.080 1.00 0.00 C ATOM 208 C LYS A 16 10.588 9.589 3.918 1.00 0.00 C ATOM 209 O LYS A 16 11.143 8.988 2.999 1.00 0.00 O ATOM 210 CB LYS A 16 11.358 9.162 6.244 1.00 0.00 C ATOM 211 CG LYS A 16 12.623 8.314 6.381 1.00 0.00 C ATOM 212 CD LYS A 16 13.730 9.016 7.143 1.00 0.00 C ATOM 213 CE LYS A 16 15.061 8.932 6.520 1.00 0.00 C ATOM 214 NZ LYS A 16 15.121 9.712 5.258 1.00 0.00 N ATOM 0 H LYS A 16 10.079 11.432 6.077 1.00 0.00 H new ATOM 0 HA LYS A 16 12.438 10.292 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.198 9.711 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.501 8.501 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.375 7.382 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.985 8.049 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.464 10.067 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.787 8.592 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.813 9.304 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.303 7.889 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.111 9.802 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.574 9.223 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.720 10.659 5.416 1.00 0.00 H new ATOM 228 N TRP A 17 9.322 9.991 3.864 1.00 0.00 N ATOM 229 CA TRP A 17 8.457 9.682 2.740 1.00 0.00 C ATOM 230 C TRP A 17 8.950 10.372 1.471 1.00 0.00 C ATOM 231 O TRP A 17 8.743 9.845 0.367 1.00 0.00 O ATOM 232 CB TRP A 17 6.995 10.016 3.043 1.00 0.00 C ATOM 233 CG TRP A 17 6.057 9.732 1.907 1.00 0.00 C ATOM 234 CD1 TRP A 17 6.017 10.379 0.700 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.348 8.494 1.709 1.00 0.00 C ATOM 236 NE1 TRP A 17 5.334 9.620 -0.232 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.886 8.478 0.371 1.00 0.00 C ATOM 238 CE3 TRP A 17 5.048 7.424 2.546 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.966 7.534 -0.077 1.00 0.00 C ATOM 240 CZ3 TRP A 17 4.095 6.515 2.122 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.634 6.515 0.803 1.00 0.00 C ATOM 0 H TRP A 17 8.872 10.538 4.598 1.00 0.00 H new ATOM 0 HA TRP A 17 8.502 8.607 2.568 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.676 9.446 3.916 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.921 11.071 3.307 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.457 11.346 0.504 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.188 9.871 -1.210 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.544 7.306 3.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.531 7.593 -1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.701 5.793 2.822 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.006 5.705 0.462 1.00 0.00 H new ATOM 252 N GLU A 18 9.980 11.213 1.649 1.00 0.00 N ATOM 253 CA GLU A 18 10.420 12.064 0.544 1.00 0.00 C ATOM 254 C GLU A 18 11.543 11.400 -0.240 1.00 0.00 C ATOM 255 O GLU A 18 12.373 12.084 -0.849 1.00 0.00 O ATOM 256 CB GLU A 18 10.878 13.396 1.156 1.00 0.00 C ATOM 257 CG GLU A 18 10.758 14.658 0.521 1.00 0.00 C ATOM 258 CD GLU A 18 11.794 15.012 -0.504 1.00 0.00 C ATOM 259 OE1 GLU A 18 12.918 15.207 0.008 1.00 0.00 O ATOM 260 OE2 GLU A 18 11.566 15.132 -1.695 1.00 0.00 O ATOM 0 H GLU A 18 10.505 11.318 2.517 1.00 0.00 H new ATOM 0 HA GLU A 18 9.607 12.231 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.354 13.486 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.936 13.274 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.780 14.703 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.771 15.427 1.293 1.00 0.00 H new ATOM 267 N LYS A 19 11.461 10.084 -0.382 1.00 0.00 N ATOM 268 CA LYS A 19 12.168 9.368 -1.445 1.00 0.00 C ATOM 269 C LYS A 19 11.947 7.867 -1.285 1.00 0.00 C ATOM 270 O LYS A 19 12.713 7.180 -0.601 1.00 0.00 O ATOM 271 CB LYS A 19 13.665 9.667 -1.445 1.00 0.00 C ATOM 272 CG LYS A 19 14.266 9.838 -0.050 1.00 0.00 C ATOM 273 CD LYS A 19 14.972 11.169 0.135 1.00 0.00 C ATOM 274 CE LYS A 19 16.353 11.072 0.638 1.00 0.00 C ATOM 275 NZ LYS A 19 16.865 12.396 1.074 1.00 0.00 N ATOM 0 H LYS A 19 10.908 9.483 0.229 1.00 0.00 H new ATOM 0 HA LYS A 19 11.764 9.711 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.186 8.858 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.843 10.576 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.474 9.747 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.973 9.030 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.984 11.693 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.391 11.779 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.389 10.373 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.999 10.670 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.839 12.294 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.853 13.055 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.262 12.768 1.835 1.00 0.00 H new ATOM 289 N ILE A 20 10.703 7.435 -1.572 1.00 0.00 N ATOM 290 CA ILE A 20 10.572 5.983 -1.931 1.00 0.00 C ATOM 291 C ILE A 20 10.739 5.882 -3.432 1.00 0.00 C ATOM 292 O ILE A 20 11.172 6.874 -4.066 1.00 0.00 O ATOM 293 CB ILE A 20 9.264 5.411 -1.338 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.489 5.043 0.172 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.686 4.176 -2.073 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.688 5.903 1.168 1.00 0.00 C ATOM 0 H ILE A 20 9.848 7.991 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 20 11.344 5.352 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 20 8.526 6.203 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.224 3.996 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.550 5.138 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.770 3.854 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.466 4.438 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.415 3.366 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.905 5.579 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.969 6.950 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.622 5.790 0.971 1.00 0.00 H new ATOM 308 N ARG A 21 10.803 4.659 -3.951 1.00 0.00 N ATOM 309 CA ARG A 21 10.743 4.461 -5.395 1.00 0.00 C ATOM 310 C ARG A 21 9.495 3.666 -5.779 1.00 0.00 C ATOM 311 O ARG A 21 9.208 2.638 -5.155 1.00 0.00 O ATOM 312 CB ARG A 21 11.992 3.738 -5.912 1.00 0.00 C ATOM 313 CG ARG A 21 13.244 4.597 -5.985 1.00 0.00 C ATOM 314 CD ARG A 21 14.097 4.435 -4.772 1.00 0.00 C ATOM 315 NE ARG A 21 14.563 3.065 -4.607 1.00 0.00 N ATOM 316 CZ ARG A 21 15.732 2.752 -4.042 1.00 0.00 C ATOM 317 NH1 ARG A 21 16.624 3.686 -3.730 1.00 0.00 N ATOM 318 NH2 ARG A 21 16.042 1.468 -3.861 1.00 0.00 N ATOM 0 H ARG A 21 10.895 3.803 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 21 10.697 5.447 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.193 2.883 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.781 3.344 -6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.818 4.329 -6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.961 5.644 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.955 5.103 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.531 4.733 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 21 13.967 2.307 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.423 4.667 -3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.510 3.422 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.390 0.740 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.931 1.214 -3.431 1.00 0.00 H new ATOM 464 N TYR A 30 8.968 7.731 -5.253 1.00 0.00 N ATOM 465 CA TYR A 30 7.875 8.350 -4.519 1.00 0.00 C ATOM 466 C TYR A 30 8.348 9.779 -4.066 1.00 0.00 C ATOM 467 O TYR A 30 9.195 9.791 -3.140 1.00 0.00 O ATOM 468 CB TYR A 30 7.507 7.573 -3.254 1.00 0.00 C ATOM 469 CG TYR A 30 6.794 6.251 -3.481 1.00 0.00 C ATOM 470 CD1 TYR A 30 7.199 5.407 -4.513 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.911 5.738 -2.525 1.00 0.00 C ATOM 472 CE1 TYR A 30 6.770 4.083 -4.583 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.417 4.437 -2.618 1.00 0.00 C ATOM 474 CZ TYR A 30 5.909 3.590 -3.611 1.00 0.00 C ATOM 475 OH TYR A 30 5.640 2.245 -3.614 1.00 0.00 O ATOM 0 HA TYR A 30 7.004 8.376 -5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.419 7.381 -2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.873 8.205 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.861 5.788 -5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.606 6.362 -1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.105 3.445 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.662 4.089 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 30 6.115 1.818 -4.357 1.00 0.00 H new ATOM 485 N LYS A 31 7.336 10.652 -4.066 1.00 0.00 N ATOM 486 CA LYS A 31 7.323 11.867 -3.284 1.00 0.00 C ATOM 487 C LYS A 31 5.905 12.225 -2.852 1.00 0.00 C ATOM 488 O LYS A 31 4.941 11.549 -3.203 1.00 0.00 O ATOM 489 CB LYS A 31 7.915 13.054 -4.053 1.00 0.00 C ATOM 490 CG LYS A 31 9.022 12.668 -5.031 1.00 0.00 C ATOM 491 CD LYS A 31 9.412 13.798 -5.968 1.00 0.00 C ATOM 492 CE LYS A 31 9.540 13.415 -7.382 1.00 0.00 C ATOM 493 NZ LYS A 31 8.331 13.789 -8.159 1.00 0.00 N ATOM 0 H LYS A 31 6.492 10.521 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 31 7.941 11.673 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.117 13.553 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.310 13.776 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.900 12.351 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.695 11.812 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.668 14.590 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.361 14.217 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.416 13.900 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.703 12.340 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.329 13.278 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.479 13.538 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.337 14.813 -8.339 1.00 0.00 H new ATOM 507 N LEU A 32 5.795 13.332 -2.119 1.00 0.00 N ATOM 508 CA LEU A 32 4.553 13.674 -1.446 1.00 0.00 C ATOM 509 C LEU A 32 3.464 14.028 -2.450 1.00 0.00 C ATOM 510 O LEU A 32 2.291 14.155 -2.095 1.00 0.00 O ATOM 511 CB LEU A 32 4.836 14.784 -0.421 1.00 0.00 C ATOM 512 CG LEU A 32 3.758 15.009 0.632 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.479 13.729 1.405 1.00 0.00 C ATOM 514 CD2 LEU A 32 4.219 16.114 1.573 1.00 0.00 C ATOM 0 H LEU A 32 6.551 14.002 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 32 4.166 12.813 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.771 14.551 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.991 15.719 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 32 2.830 15.305 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.706 13.915 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.140 12.955 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.391 13.398 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.457 16.286 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.151 15.817 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.380 17.031 1.006 1.00 0.00 H new ATOM 526 N LYS A 33 3.849 14.054 -3.722 1.00 0.00 N ATOM 527 CA LYS A 33 2.899 14.191 -4.815 1.00 0.00 C ATOM 528 C LYS A 33 2.107 12.901 -5.001 1.00 0.00 C ATOM 529 O LYS A 33 0.884 12.926 -5.125 1.00 0.00 O ATOM 530 CB LYS A 33 3.591 14.545 -6.133 1.00 0.00 C ATOM 531 CG LYS A 33 2.955 15.725 -6.869 1.00 0.00 C ATOM 532 CD LYS A 33 1.852 15.306 -7.823 1.00 0.00 C ATOM 533 CE LYS A 33 2.312 14.630 -9.046 1.00 0.00 C ATOM 534 NZ LYS A 33 2.011 15.433 -10.257 1.00 0.00 N ATOM 0 H LYS A 33 4.822 13.981 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 33 2.225 15.005 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.637 14.776 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.577 13.672 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.549 16.425 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.726 16.257 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.168 14.642 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.282 16.191 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.386 14.453 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.832 13.655 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.348 14.928 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.984 15.581 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.489 16.354 -10.191 1.00 0.00 H new ATOM 548 N HIS A 34 2.841 11.810 -5.212 1.00 0.00 N ATOM 549 CA HIS A 34 2.236 10.512 -5.444 1.00 0.00 C ATOM 550 C HIS A 34 1.673 9.950 -4.125 1.00 0.00 C ATOM 551 O HIS A 34 0.690 9.199 -4.164 1.00 0.00 O ATOM 552 CB HIS A 34 3.164 9.453 -6.071 1.00 0.00 C ATOM 553 CG HIS A 34 4.385 10.034 -6.719 1.00 0.00 C ATOM 554 ND1 HIS A 34 5.657 9.558 -6.529 1.00 0.00 N ATOM 555 CD2 HIS A 34 4.513 11.150 -7.480 1.00 0.00 C ATOM 556 CE1 HIS A 34 6.514 10.337 -7.170 1.00 0.00 C ATOM 557 NE2 HIS A 34 5.849 11.324 -7.728 1.00 0.00 N ATOM 0 H HIS A 34 3.861 11.806 -5.226 1.00 0.00 H new ATOM 0 HA HIS A 34 1.451 10.701 -6.176 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.473 8.749 -5.298 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.604 8.885 -6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.710 11.784 -7.826 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.582 10.187 -7.225 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.260 12.093 -8.258 1.00 0.00 H new ATOM 565 N ILE A 35 1.981 10.658 -3.044 1.00 0.00 N ATOM 566 CA ILE A 35 1.100 10.722 -1.862 1.00 0.00 C ATOM 567 C ILE A 35 -0.247 11.301 -2.277 1.00 0.00 C ATOM 568 O ILE A 35 -1.296 10.721 -1.991 1.00 0.00 O ATOM 569 CB ILE A 35 1.840 11.499 -0.722 1.00 0.00 C ATOM 570 CG1 ILE A 35 2.689 10.496 0.102 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.004 12.456 0.138 1.00 0.00 C ATOM 572 CD1 ILE A 35 2.107 10.021 1.447 1.00 0.00 C ATOM 0 H ILE A 35 2.839 11.203 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 35 0.880 9.736 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 35 2.489 12.216 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.870 9.617 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.659 10.954 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.643 12.925 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.564 13.225 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.211 11.899 0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.801 9.325 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.955 10.880 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.153 9.522 1.275 1.00 0.00 H new ATOM 584 N VAL A 36 -0.212 12.564 -2.696 1.00 0.00 N ATOM 585 CA VAL A 36 -1.414 13.364 -2.868 1.00 0.00 C ATOM 586 C VAL A 36 -2.345 12.694 -3.894 1.00 0.00 C ATOM 587 O VAL A 36 -3.457 12.297 -3.501 1.00 0.00 O ATOM 588 CB VAL A 36 -1.055 14.815 -3.239 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.285 15.669 -3.526 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.181 15.467 -2.179 1.00 0.00 C ATOM 0 H VAL A 36 0.651 13.058 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.958 13.416 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.481 14.757 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.973 16.682 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.840 15.239 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.922 15.698 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.051 16.490 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.711 15.478 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.745 14.902 -2.072 1.00 0.00 H new ATOM 600 N TRP A 37 -1.687 12.055 -4.866 1.00 0.00 N ATOM 601 CA TRP A 37 -2.387 11.214 -5.835 1.00 0.00 C ATOM 602 C TRP A 37 -2.954 9.979 -5.129 1.00 0.00 C ATOM 603 O TRP A 37 -3.885 9.350 -5.654 1.00 0.00 O ATOM 604 CB TRP A 37 -1.488 10.882 -7.015 1.00 0.00 C ATOM 605 CG TRP A 37 -1.967 9.813 -7.939 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.731 9.971 -9.064 1.00 0.00 C ATOM 607 CD2 TRP A 37 -1.930 8.397 -7.685 1.00 0.00 C ATOM 608 NE1 TRP A 37 -3.107 8.746 -9.564 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.629 7.767 -8.740 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.349 7.621 -6.689 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -2.767 6.389 -8.817 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -1.408 6.247 -6.814 1.00 0.00 C ATOM 613 CH2 TRP A 37 -2.153 5.640 -7.823 1.00 0.00 C ATOM 0 H TRP A 37 -0.677 12.105 -5.000 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.233 11.757 -6.255 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.338 11.792 -7.596 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.513 10.586 -6.628 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.000 10.923 -9.498 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.654 8.594 -10.412 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.864 8.080 -5.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.326 5.921 -9.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.865 5.629 -6.114 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.255 4.565 -7.832 1.00 0.00 H new ATOM 624 N ALA A 38 -2.096 9.390 -4.293 1.00 0.00 N ATOM 625 CA ALA A 38 -2.401 8.124 -3.641 1.00 0.00 C ATOM 626 C ALA A 38 -3.653 8.274 -2.769 1.00 0.00 C ATOM 627 O ALA A 38 -4.597 7.498 -2.887 1.00 0.00 O ATOM 628 CB ALA A 38 -1.218 7.703 -2.766 1.00 0.00 C ATOM 0 H ALA A 38 -1.182 9.775 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.583 7.364 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.446 6.755 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.329 7.587 -3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.035 8.466 -2.010 1.00 0.00 H new ATOM 634 N SER A 39 -3.503 9.091 -1.728 1.00 0.00 N ATOM 635 CA SER A 39 -4.541 9.267 -0.729 1.00 0.00 C ATOM 636 C SER A 39 -5.829 9.783 -1.373 1.00 0.00 C ATOM 637 O SER A 39 -6.908 9.250 -1.083 1.00 0.00 O ATOM 638 CB SER A 39 -4.087 10.195 0.394 1.00 0.00 C ATOM 639 OG SER A 39 -2.790 9.858 0.850 1.00 0.00 O ATOM 0 H SER A 39 -2.662 9.644 -1.559 1.00 0.00 H new ATOM 0 HA SER A 39 -4.743 8.291 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.094 11.226 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.792 10.137 1.223 1.00 0.00 H new ATOM 0 HG SER A 39 -2.526 10.471 1.568 1.00 0.00 H new ATOM 645 N ARG A 40 -5.650 10.494 -2.488 1.00 0.00 N ATOM 646 CA ARG A 40 -6.785 10.931 -3.294 1.00 0.00 C ATOM 647 C ARG A 40 -7.529 9.715 -3.841 1.00 0.00 C ATOM 648 O ARG A 40 -8.738 9.588 -3.696 1.00 0.00 O ATOM 649 CB ARG A 40 -6.415 11.927 -4.373 1.00 0.00 C ATOM 650 CG ARG A 40 -5.988 11.406 -5.736 1.00 0.00 C ATOM 651 CD ARG A 40 -6.390 12.338 -6.831 1.00 0.00 C ATOM 652 NE ARG A 40 -7.745 12.084 -7.297 1.00 0.00 N ATOM 653 CZ ARG A 40 -8.818 12.705 -6.804 1.00 0.00 C ATOM 654 NH1 ARG A 40 -8.706 13.727 -5.964 1.00 0.00 N ATOM 655 NH2 ARG A 40 -10.032 12.321 -7.205 1.00 0.00 N ATOM 0 H ARG A 40 -4.738 10.776 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.460 11.484 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.272 12.583 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.604 12.545 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.907 11.270 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.435 10.427 -5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.316 13.366 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.696 12.237 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.881 11.396 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.783 14.055 -5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.543 14.184 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.130 11.562 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.862 12.786 -6.837 1.00 0.00 H new ATOM 669 N GLU A 41 -6.760 8.818 -4.451 1.00 0.00 N ATOM 670 CA GLU A 41 -7.325 7.662 -5.134 1.00 0.00 C ATOM 671 C GLU A 41 -8.003 6.733 -4.134 1.00 0.00 C ATOM 672 O GLU A 41 -9.119 6.261 -4.365 1.00 0.00 O ATOM 673 CB GLU A 41 -6.169 6.956 -5.856 1.00 0.00 C ATOM 674 CG GLU A 41 -6.284 6.273 -7.092 1.00 0.00 C ATOM 675 CD GLU A 41 -6.203 7.099 -8.342 1.00 0.00 C ATOM 676 OE1 GLU A 41 -6.086 8.311 -8.354 1.00 0.00 O ATOM 677 OE2 GLU A 41 -6.176 6.392 -9.373 1.00 0.00 O ATOM 0 H GLU A 41 -5.742 8.871 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.088 7.964 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.399 7.713 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.771 6.230 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.499 5.518 -7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.237 5.744 -7.098 1.00 0.00 H new ATOM 684 N LEU A 42 -7.397 6.640 -2.950 1.00 0.00 N ATOM 685 CA LEU A 42 -7.936 5.819 -1.882 1.00 0.00 C ATOM 686 C LEU A 42 -9.324 6.330 -1.473 1.00 0.00 C ATOM 687 O LEU A 42 -10.271 5.545 -1.391 1.00 0.00 O ATOM 688 CB LEU A 42 -6.944 5.845 -0.698 1.00 0.00 C ATOM 689 CG LEU A 42 -7.458 5.175 0.572 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.687 3.906 0.874 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.375 6.157 1.729 1.00 0.00 C ATOM 0 H LEU A 42 -6.532 7.126 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.059 4.789 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.020 5.355 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.695 6.882 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.499 4.888 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.077 3.452 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.797 3.208 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.632 4.145 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.742 5.680 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.339 6.463 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.985 7.033 1.507 1.00 0.00 H new ATOM 703 N GLU A 43 -9.318 7.524 -0.880 1.00 0.00 N ATOM 704 CA GLU A 43 -10.491 8.053 -0.196 1.00 0.00 C ATOM 705 C GLU A 43 -11.657 8.177 -1.184 1.00 0.00 C ATOM 706 O GLU A 43 -12.781 7.780 -0.863 1.00 0.00 O ATOM 707 CB GLU A 43 -10.117 9.429 0.370 1.00 0.00 C ATOM 708 CG GLU A 43 -8.864 9.762 0.942 1.00 0.00 C ATOM 709 CD GLU A 43 -8.262 11.079 0.546 1.00 0.00 C ATOM 710 OE1 GLU A 43 -8.893 11.997 0.051 1.00 0.00 O ATOM 711 OE2 GLU A 43 -7.033 11.123 0.767 1.00 0.00 O ATOM 0 H GLU A 43 -8.508 8.143 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.803 7.388 0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.273 10.139 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.862 9.651 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.973 9.752 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.155 8.975 0.686 1.00 0.00 H new ATOM 718 N ARG A 44 -11.275 8.245 -2.465 1.00 0.00 N ATOM 719 CA ARG A 44 -12.248 8.368 -3.538 1.00 0.00 C ATOM 720 C ARG A 44 -12.576 7.007 -4.138 1.00 0.00 C ATOM 721 O ARG A 44 -13.595 6.843 -4.811 1.00 0.00 O ATOM 722 CB ARG A 44 -11.754 9.315 -4.644 1.00 0.00 C ATOM 723 CG ARG A 44 -12.846 10.148 -5.297 1.00 0.00 C ATOM 724 CD ARG A 44 -13.289 11.265 -4.414 1.00 0.00 C ATOM 725 NE ARG A 44 -14.190 10.811 -3.364 1.00 0.00 N ATOM 726 CZ ARG A 44 -15.338 10.177 -3.609 1.00 0.00 C ATOM 727 NH1 ARG A 44 -15.838 10.095 -4.838 1.00 0.00 N ATOM 728 NH2 ARG A 44 -16.028 9.661 -2.591 1.00 0.00 N ATOM 0 H ARG A 44 -10.304 8.217 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.152 8.791 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.006 9.986 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.256 8.725 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.480 10.553 -6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.698 9.511 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.416 11.737 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.788 12.025 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.931 10.986 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.342 10.523 -5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.718 9.605 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.677 9.753 -1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.907 9.174 -2.766 1.00 0.00 H new ATOM 742 N PHE A 45 -11.756 6.012 -3.810 1.00 0.00 N ATOM 743 CA PHE A 45 -12.145 4.612 -3.980 1.00 0.00 C ATOM 744 C PHE A 45 -13.361 4.302 -3.111 1.00 0.00 C ATOM 745 O PHE A 45 -14.447 4.029 -3.613 1.00 0.00 O ATOM 746 CB PHE A 45 -11.014 3.612 -3.632 1.00 0.00 C ATOM 747 CG PHE A 45 -10.406 2.984 -4.852 1.00 0.00 C ATOM 748 CD1 PHE A 45 -9.783 3.715 -5.862 1.00 0.00 C ATOM 749 CD2 PHE A 45 -10.452 1.590 -4.945 1.00 0.00 C ATOM 750 CE1 PHE A 45 -9.159 3.064 -6.931 1.00 0.00 C ATOM 751 CE2 PHE A 45 -9.855 0.925 -6.003 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.147 1.658 -6.960 1.00 0.00 C ATOM 0 H PHE A 45 -10.821 6.147 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.377 4.486 -5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.237 4.129 -3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.411 2.830 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -9.782 4.794 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.961 1.023 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.693 3.633 -7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.936 -0.149 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.588 1.142 -7.726 1.00 0.00 H new ATOM 762 N ALA A 46 -13.172 4.428 -1.796 1.00 0.00 N ATOM 763 CA ALA A 46 -14.133 3.859 -0.849 1.00 0.00 C ATOM 764 C ALA A 46 -13.776 4.269 0.579 1.00 0.00 C ATOM 765 O ALA A 46 -14.165 3.594 1.537 1.00 0.00 O ATOM 766 CB ALA A 46 -14.148 2.339 -0.987 1.00 0.00 C ATOM 0 H ALA A 46 -12.380 4.908 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.129 4.242 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.864 1.917 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.437 2.069 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.154 1.945 -0.775 1.00 0.00 H new ATOM 772 N VAL A 47 -12.870 5.235 0.699 1.00 0.00 N ATOM 773 CA VAL A 47 -12.066 5.391 1.909 1.00 0.00 C ATOM 774 C VAL A 47 -12.205 6.806 2.460 1.00 0.00 C ATOM 775 O VAL A 47 -12.644 7.715 1.756 1.00 0.00 O ATOM 776 CB VAL A 47 -10.608 4.970 1.640 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.793 4.840 2.922 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.536 3.694 0.817 1.00 0.00 C ATOM 0 H VAL A 47 -12.673 5.923 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.436 4.725 2.688 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.159 5.773 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.774 4.541 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.775 5.798 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.246 4.087 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.492 3.429 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.033 2.886 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.031 3.851 -0.142 1.00 0.00 H new ATOM 788 N ASN A 48 -11.582 7.021 3.616 1.00 0.00 N ATOM 789 CA ASN A 48 -11.484 8.342 4.211 1.00 0.00 C ATOM 790 C ASN A 48 -9.999 8.685 4.468 1.00 0.00 C ATOM 791 O ASN A 48 -9.155 7.783 4.618 1.00 0.00 O ATOM 792 CB ASN A 48 -12.372 8.490 5.436 1.00 0.00 C ATOM 793 CG ASN A 48 -12.193 9.804 6.172 1.00 0.00 C ATOM 794 OD1 ASN A 48 -11.098 10.103 6.675 1.00 0.00 O ATOM 795 ND2 ASN A 48 -13.293 10.535 6.351 1.00 0.00 N ATOM 0 H ASN A 48 -11.134 6.285 4.161 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.870 9.080 3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.414 8.395 5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.166 7.669 6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.257 11.380 6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.171 10.250 5.917 1.00 0.00 H new ATOM 802 N PRO A 49 -9.662 9.974 4.242 1.00 0.00 N ATOM 803 CA PRO A 49 -8.250 10.430 4.189 1.00 0.00 C ATOM 804 C PRO A 49 -7.531 10.386 5.532 1.00 0.00 C ATOM 805 O PRO A 49 -6.372 9.979 5.615 1.00 0.00 O ATOM 806 CB PRO A 49 -8.256 11.821 3.565 1.00 0.00 C ATOM 807 CG PRO A 49 -9.658 12.164 3.166 1.00 0.00 C ATOM 808 CD PRO A 49 -10.544 11.078 3.751 1.00 0.00 C ATOM 0 HA PRO A 49 -7.670 9.738 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.875 12.555 4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.599 11.848 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.942 13.145 3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.755 12.203 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.146 11.476 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.237 10.705 2.997 1.00 0.00 H new ATOM 816 N GLY A 50 -8.135 11.040 6.524 1.00 0.00 N ATOM 817 CA GLY A 50 -7.651 10.947 7.897 1.00 0.00 C ATOM 818 C GLY A 50 -7.730 9.500 8.385 1.00 0.00 C ATOM 819 O GLY A 50 -6.800 9.005 9.036 1.00 0.00 O ATOM 0 H GLY A 50 -8.954 11.635 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.622 11.302 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.246 11.591 8.545 1.00 0.00 H new ATOM 823 N LEU A 51 -8.659 8.770 7.785 1.00 0.00 N ATOM 824 CA LEU A 51 -8.833 7.350 8.074 1.00 0.00 C ATOM 825 C LEU A 51 -7.572 6.581 7.683 1.00 0.00 C ATOM 826 O LEU A 51 -6.911 6.014 8.572 1.00 0.00 O ATOM 827 CB LEU A 51 -10.101 6.909 7.324 1.00 0.00 C ATOM 828 CG LEU A 51 -10.973 5.852 7.962 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.091 5.415 7.022 1.00 0.00 C ATOM 830 CD2 LEU A 51 -10.116 4.652 8.343 1.00 0.00 C ATOM 0 H LEU A 51 -9.309 9.139 7.090 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.968 7.144 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.716 7.794 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.798 6.544 6.343 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.433 6.277 8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.700 4.654 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.714 6.274 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.659 5.004 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.743 3.889 8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.644 4.244 7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.347 4.964 9.049 1.00 0.00 H new ATOM 842 N LEU A 52 -6.977 7.036 6.572 1.00 0.00 N ATOM 843 CA LEU A 52 -5.765 6.392 6.061 1.00 0.00 C ATOM 844 C LEU A 52 -4.531 7.159 6.522 1.00 0.00 C ATOM 845 O LEU A 52 -3.495 6.533 6.802 1.00 0.00 O ATOM 846 CB LEU A 52 -5.925 6.195 4.560 1.00 0.00 C ATOM 847 CG LEU A 52 -4.859 6.643 3.594 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.731 8.158 3.548 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.522 6.007 3.953 1.00 0.00 C ATOM 0 H LEU A 52 -7.307 7.829 6.022 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.614 5.394 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.077 5.128 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.848 6.697 4.270 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.158 6.313 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.951 8.436 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.679 8.594 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.471 8.531 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.760 6.339 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.237 6.305 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.611 4.922 3.907 1.00 0.00 H new ATOM 861 N GLU A 53 -4.765 8.384 6.988 1.00 0.00 N ATOM 862 CA GLU A 53 -3.734 9.176 7.637 1.00 0.00 C ATOM 863 C GLU A 53 -3.221 8.453 8.887 1.00 0.00 C ATOM 864 O GLU A 53 -2.018 8.446 9.148 1.00 0.00 O ATOM 865 CB GLU A 53 -4.342 10.535 8.001 1.00 0.00 C ATOM 866 CG GLU A 53 -3.594 11.679 8.386 1.00 0.00 C ATOM 867 CD GLU A 53 -4.183 12.554 9.451 1.00 0.00 C ATOM 868 OE1 GLU A 53 -5.245 13.100 9.081 1.00 0.00 O ATOM 869 OE2 GLU A 53 -3.686 12.723 10.551 1.00 0.00 O ATOM 0 H GLU A 53 -5.670 8.849 6.925 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.885 9.319 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.935 10.840 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.040 10.344 8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.615 11.344 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.430 12.290 7.499 1.00 0.00 H new ATOM 876 N THR A 54 -4.075 7.552 9.378 1.00 0.00 N ATOM 877 CA THR A 54 -3.698 6.652 10.459 1.00 0.00 C ATOM 878 C THR A 54 -3.308 5.287 9.899 1.00 0.00 C ATOM 879 O THR A 54 -3.896 4.831 8.911 1.00 0.00 O ATOM 880 CB THR A 54 -4.855 6.524 11.533 1.00 0.00 C ATOM 881 OG1 THR A 54 -5.863 5.635 10.976 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.436 7.873 11.968 1.00 0.00 C ATOM 0 H THR A 54 -5.030 7.430 9.042 1.00 0.00 H new ATOM 0 HA THR A 54 -2.831 7.074 10.968 1.00 0.00 H new ATOM 0 HB THR A 54 -4.449 6.108 12.455 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.072 5.911 10.059 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.223 7.710 12.704 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.648 8.484 12.409 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.851 8.387 11.101 1.00 0.00 H new ATOM 890 N SER A 55 -2.599 4.519 10.722 1.00 0.00 N ATOM 891 CA SER A 55 -2.385 3.103 10.490 1.00 0.00 C ATOM 892 C SER A 55 -3.708 2.358 10.367 1.00 0.00 C ATOM 893 O SER A 55 -3.987 1.704 9.358 1.00 0.00 O ATOM 894 CB SER A 55 -1.513 2.486 11.586 1.00 0.00 C ATOM 895 OG SER A 55 -0.138 2.640 11.295 1.00 0.00 O ATOM 0 H SER A 55 -2.156 4.868 11.572 1.00 0.00 H new ATOM 0 HA SER A 55 -1.854 3.003 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.740 2.957 12.542 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.749 1.427 11.688 1.00 0.00 H new ATOM 0 HG SER A 55 0.199 1.825 10.867 1.00 0.00 H new ATOM 901 N GLU A 56 -4.617 2.657 11.296 1.00 0.00 N ATOM 902 CA GLU A 56 -5.765 1.791 11.524 1.00 0.00 C ATOM 903 C GLU A 56 -6.635 1.716 10.271 1.00 0.00 C ATOM 904 O GLU A 56 -6.792 0.638 9.688 1.00 0.00 O ATOM 905 CB GLU A 56 -6.548 2.368 12.710 1.00 0.00 C ATOM 906 CG GLU A 56 -7.241 1.593 13.675 1.00 0.00 C ATOM 907 CD GLU A 56 -8.383 2.251 14.391 1.00 0.00 C ATOM 908 OE1 GLU A 56 -9.297 2.591 13.609 1.00 0.00 O ATOM 909 OE2 GLU A 56 -8.399 2.481 15.587 1.00 0.00 O ATOM 0 H GLU A 56 -4.579 3.482 11.894 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.443 0.774 11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.840 2.980 13.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.287 3.045 12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.622 0.700 13.180 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.520 1.261 14.422 1.00 0.00 H new ATOM 916 N GLY A 57 -6.927 2.890 9.720 1.00 0.00 N ATOM 917 CA GLY A 57 -7.626 2.987 8.447 1.00 0.00 C ATOM 918 C GLY A 57 -6.805 2.334 7.339 1.00 0.00 C ATOM 919 O GLY A 57 -7.312 1.513 6.579 1.00 0.00 O ATOM 0 H GLY A 57 -6.689 3.789 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.599 2.502 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.809 4.034 8.204 1.00 0.00 H new ATOM 923 N CYS A 58 -5.493 2.555 7.404 1.00 0.00 N ATOM 924 CA CYS A 58 -4.595 2.092 6.354 1.00 0.00 C ATOM 925 C CYS A 58 -4.506 0.564 6.373 1.00 0.00 C ATOM 926 O CYS A 58 -4.439 -0.064 5.316 1.00 0.00 O ATOM 927 CB CYS A 58 -3.218 2.734 6.479 1.00 0.00 C ATOM 928 SG CYS A 58 -2.238 2.701 4.959 1.00 0.00 S ATOM 0 H CYS A 58 -5.033 3.049 8.169 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.003 2.399 5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.341 3.770 6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.663 2.224 7.266 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.089 3.271 5.171 1.00 0.00 H new ATOM 933 N ARG A 59 -4.850 0.000 7.530 1.00 0.00 N ATOM 934 CA ARG A 59 -5.033 -1.434 7.668 1.00 0.00 C ATOM 935 C ARG A 59 -6.401 -1.846 7.119 1.00 0.00 C ATOM 936 O ARG A 59 -6.598 -2.996 6.732 1.00 0.00 O ATOM 937 CB ARG A 59 -4.914 -1.896 9.124 1.00 0.00 C ATOM 938 CG ARG A 59 -4.620 -3.381 9.297 1.00 0.00 C ATOM 939 CD ARG A 59 -5.857 -4.204 9.171 1.00 0.00 C ATOM 940 NE ARG A 59 -5.854 -5.341 10.081 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.537 -5.360 11.228 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.109 -4.264 11.715 1.00 0.00 N ATOM 943 NH2 ARG A 59 -6.602 -6.494 11.928 1.00 0.00 N ATOM 0 H ARG A 59 -5.008 0.525 8.390 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.239 -1.914 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.123 -1.324 9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.843 -1.660 9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.894 -3.698 8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.167 -3.551 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.728 -3.581 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.951 -4.561 8.146 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.304 -6.162 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.032 -3.381 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.625 -4.306 12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.133 -7.333 11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.120 -6.522 12.806 1.00 0.00 H new ATOM 957 N GLN A 60 -7.392 -1.006 7.440 1.00 0.00 N ATOM 958 CA GLN A 60 -8.757 -1.256 6.988 1.00 0.00 C ATOM 959 C GLN A 60 -8.803 -1.202 5.452 1.00 0.00 C ATOM 960 O GLN A 60 -9.326 -2.153 4.843 1.00 0.00 O ATOM 961 CB GLN A 60 -9.771 -0.290 7.594 1.00 0.00 C ATOM 962 CG GLN A 60 -11.216 -0.656 7.309 1.00 0.00 C ATOM 963 CD GLN A 60 -12.198 0.359 7.840 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.265 1.499 7.388 1.00 0.00 O ATOM 965 NE2 GLN A 60 -12.919 -0.044 8.885 1.00 0.00 N ATOM 0 H GLN A 60 -7.274 -0.163 8.001 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.042 -2.250 7.334 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.622 -0.252 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.578 0.712 7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.354 -0.758 6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.433 -1.628 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.831 -1.001 9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.559 0.604 9.343 1.00 0.00 H new ATOM 974 N ILE A 61 -7.791 -0.504 4.915 1.00 0.00 N ATOM 975 CA ILE A 61 -7.597 -0.459 3.473 1.00 0.00 C ATOM 976 C ILE A 61 -6.737 -1.613 3.004 1.00 0.00 C ATOM 977 O ILE A 61 -7.243 -2.552 2.379 1.00 0.00 O ATOM 978 CB ILE A 61 -7.118 0.949 2.998 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.178 2.038 3.298 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.666 0.977 1.516 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.664 1.639 3.190 1.00 0.00 C ATOM 0 H ILE A 61 -7.108 0.027 5.455 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.561 -0.600 2.984 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.227 1.179 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.002 2.408 4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.004 2.872 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.346 1.985 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.836 0.284 1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.498 0.681 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.290 2.499 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.878 1.303 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.876 0.832 3.891 1.00 0.00 H new ATOM 993 N LEU A 62 -5.513 -1.688 3.523 1.00 0.00 N ATOM 994 CA LEU A 62 -4.518 -2.611 3.001 1.00 0.00 C ATOM 995 C LEU A 62 -5.017 -4.060 3.141 1.00 0.00 C ATOM 996 O LEU A 62 -4.833 -4.849 2.202 1.00 0.00 O ATOM 997 CB LEU A 62 -3.197 -2.361 3.741 1.00 0.00 C ATOM 998 CG LEU A 62 -1.909 -2.682 3.006 1.00 0.00 C ATOM 999 CD1 LEU A 62 -1.808 -1.921 1.693 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.731 -2.322 3.910 1.00 0.00 C ATOM 0 H LEU A 62 -5.190 -1.118 4.305 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.349 -2.447 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.167 -1.310 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.212 -2.943 4.662 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.896 -3.745 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.873 -2.177 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.646 -2.191 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.833 -0.849 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.204 -2.547 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.767 -1.259 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.788 -2.903 4.831 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.041 -4.198 3.987 1.00 0.00 N ATOM 1013 CA GLY A 63 -6.767 -5.450 4.115 1.00 0.00 C ATOM 1014 C GLY A 63 -7.813 -5.594 3.018 1.00 0.00 C ATOM 1015 O GLY A 63 -7.851 -6.598 2.307 1.00 0.00 O ATOM 0 H GLY A 63 -6.382 -3.451 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.068 -6.285 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.251 -5.495 5.091 1.00 0.00 H new ATOM 1019 N GLN A 64 -8.710 -4.617 2.950 1.00 0.00 N ATOM 1020 CA GLN A 64 -9.785 -4.618 1.974 1.00 0.00 C ATOM 1021 C GLN A 64 -9.246 -4.496 0.551 1.00 0.00 C ATOM 1022 O GLN A 64 -10.017 -4.517 -0.412 1.00 0.00 O ATOM 1023 CB GLN A 64 -10.834 -3.534 2.252 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.262 -4.024 2.122 1.00 0.00 C ATOM 1025 CD GLN A 64 -12.869 -4.436 3.442 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -13.517 -3.655 4.133 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -12.697 -5.715 3.768 1.00 0.00 N ATOM 0 H GLN A 64 -8.710 -3.806 3.569 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.286 -5.581 2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.683 -3.144 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.679 -2.705 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.871 -3.236 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.288 -4.871 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.150 -6.327 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.112 -6.083 4.624 1.00 0.00 H new ATOM 1036 N LEU A 65 -7.963 -4.180 0.439 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.402 -3.627 -0.794 1.00 0.00 C ATOM 1038 C LEU A 65 -6.553 -4.704 -1.480 1.00 0.00 C ATOM 1039 O LEU A 65 -6.747 -4.971 -2.666 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.604 -2.370 -0.424 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.256 -1.411 -1.551 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.486 -0.639 -2.008 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.185 -0.445 -1.052 1.00 0.00 C ATOM 0 H LEU A 65 -7.284 -4.297 1.191 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.174 -3.335 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.171 -1.818 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.674 -2.687 0.049 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.884 -1.977 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.210 0.040 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.243 -1.338 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.887 -0.066 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.923 0.251 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.567 0.111 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.299 -1.006 -0.755 1.00 0.00 H new ATOM 1055 N GLN A 66 -6.006 -5.586 -0.634 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.168 -6.672 -1.113 1.00 0.00 C ATOM 1057 C GLN A 66 -5.980 -7.589 -2.057 1.00 0.00 C ATOM 1058 O GLN A 66 -5.738 -7.596 -3.282 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.549 -7.493 0.018 1.00 0.00 C ATOM 1060 CG GLN A 66 -3.037 -7.411 0.076 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.360 -8.743 -0.150 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.214 -8.955 0.248 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -2.951 -9.525 -1.055 1.00 0.00 N ATOM 0 H GLN A 66 -6.132 -5.562 0.378 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.341 -6.218 -1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.959 -7.152 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.843 -8.536 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.689 -6.702 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.738 -7.019 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.902 -9.320 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.452 -10.327 -1.439 1.00 0.00 H new ATOM 1072 N PRO A 67 -7.140 -8.050 -1.547 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.224 -8.615 -2.396 1.00 0.00 C ATOM 1074 C PRO A 67 -8.611 -7.710 -3.561 1.00 0.00 C ATOM 1075 O PRO A 67 -8.572 -8.112 -4.724 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.388 -8.921 -1.465 1.00 0.00 C ATOM 1077 CG PRO A 67 -8.940 -8.712 -0.048 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.632 -7.937 -0.142 1.00 0.00 C ATOM 0 HA PRO A 67 -7.882 -9.525 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.234 -8.273 -1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.725 -9.948 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.685 -8.156 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.796 -9.664 0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.786 -6.892 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.897 -8.340 0.555 1.00 0.00 H new ATOM 1086 N SER A 68 -8.871 -6.448 -3.233 1.00 0.00 N ATOM 1087 CA SER A 68 -9.449 -5.514 -4.184 1.00 0.00 C ATOM 1088 C SER A 68 -8.511 -5.292 -5.366 1.00 0.00 C ATOM 1089 O SER A 68 -8.877 -4.617 -6.331 1.00 0.00 O ATOM 1090 CB SER A 68 -9.820 -4.193 -3.519 1.00 0.00 C ATOM 1091 OG SER A 68 -11.224 -4.012 -3.476 1.00 0.00 O ATOM 0 H SER A 68 -8.688 -6.051 -2.311 1.00 0.00 H new ATOM 0 HA SER A 68 -10.371 -5.956 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.417 -4.168 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.362 -3.368 -4.065 1.00 0.00 H new ATOM 0 HG SER A 68 -11.431 -3.158 -3.043 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.237 -5.597 -5.141 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.188 -5.306 -6.104 1.00 0.00 C ATOM 1099 C LEU A 69 -6.391 -6.135 -7.373 1.00 0.00 C ATOM 1100 O LEU A 69 -6.456 -5.568 -8.473 1.00 0.00 O ATOM 1101 CB LEU A 69 -4.835 -5.569 -5.415 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.474 -4.646 -4.264 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.143 -5.027 -3.635 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.418 -3.215 -4.790 1.00 0.00 C ATOM 0 H LEU A 69 -6.907 -6.051 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.215 -4.264 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.834 -6.594 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.049 -5.501 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.234 -4.736 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.919 -4.344 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.200 -6.046 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.355 -4.964 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.160 -2.538 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.664 -3.145 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.391 -2.939 -5.197 1.00 0.00 H new ATOM 1116 N GLN A 70 -6.925 -7.340 -7.168 1.00 0.00 N ATOM 1117 CA GLN A 70 -7.238 -8.236 -8.268 1.00 0.00 C ATOM 1118 C GLN A 70 -8.247 -7.592 -9.215 1.00 0.00 C ATOM 1119 O GLN A 70 -8.428 -8.036 -10.345 1.00 0.00 O ATOM 1120 CB GLN A 70 -7.733 -9.608 -7.796 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.093 -9.571 -7.128 1.00 0.00 C ATOM 1122 CD GLN A 70 -9.211 -10.535 -5.972 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -9.937 -10.307 -5.007 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -8.585 -11.698 -6.140 1.00 0.00 N ATOM 0 H GLN A 70 -7.148 -7.713 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.307 -8.410 -8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.777 -10.282 -8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.007 -10.025 -7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.289 -8.560 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.860 -9.803 -7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.991 -11.844 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.699 -12.443 -5.452 1.00 0.00 H new ATOM 1133 N THR A 71 -8.875 -6.519 -8.738 1.00 0.00 N ATOM 1134 CA THR A 71 -10.067 -5.990 -9.399 1.00 0.00 C ATOM 1135 C THR A 71 -10.202 -4.492 -9.140 1.00 0.00 C ATOM 1136 O THR A 71 -11.202 -3.880 -9.533 1.00 0.00 O ATOM 1137 CB THR A 71 -11.365 -6.774 -8.947 1.00 0.00 C ATOM 1138 OG1 THR A 71 -12.467 -6.277 -9.753 1.00 0.00 O ATOM 1139 CG2 THR A 71 -11.638 -6.714 -7.445 1.00 0.00 C ATOM 0 H THR A 71 -8.584 -6.004 -7.907 1.00 0.00 H new ATOM 0 HA THR A 71 -9.956 -6.137 -10.473 1.00 0.00 H new ATOM 0 HB THR A 71 -11.223 -7.841 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.327 -5.327 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.544 -7.275 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.797 -7.148 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.768 -5.676 -7.140 1.00 0.00 H new ATOM 1147 N GLY A 72 -9.068 -3.877 -8.813 1.00 0.00 N ATOM 1148 CA GLY A 72 -8.915 -2.432 -8.862 1.00 0.00 C ATOM 1149 C GLY A 72 -8.044 -2.036 -10.056 1.00 0.00 C ATOM 1150 O GLY A 72 -8.561 -1.753 -11.137 1.00 0.00 O ATOM 0 H GLY A 72 -8.230 -4.371 -8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.893 -1.957 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.462 -2.075 -7.937 1.00 0.00 H new ATOM 1154 N SER A 73 -6.747 -2.284 -9.911 1.00 0.00 N ATOM 1155 CA SER A 73 -5.812 -2.205 -11.024 1.00 0.00 C ATOM 1156 C SER A 73 -4.402 -2.569 -10.550 1.00 0.00 C ATOM 1157 O SER A 73 -4.156 -2.664 -9.349 1.00 0.00 O ATOM 1158 CB SER A 73 -5.828 -0.828 -11.676 1.00 0.00 C ATOM 1159 OG SER A 73 -5.341 0.167 -10.793 1.00 0.00 O ATOM 0 H SER A 73 -6.317 -2.544 -9.023 1.00 0.00 H new ATOM 0 HA SER A 73 -6.126 -2.923 -11.782 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.219 -0.844 -12.580 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.845 -0.580 -11.981 1.00 0.00 H new ATOM 0 HG SER A 73 -5.772 1.023 -10.995 1.00 0.00 H new ATOM 1165 N GLU A 74 -3.459 -2.535 -11.486 1.00 0.00 N ATOM 1166 CA GLU A 74 -2.042 -2.405 -11.146 1.00 0.00 C ATOM 1167 C GLU A 74 -1.763 -1.009 -10.595 1.00 0.00 C ATOM 1168 O GLU A 74 -0.807 -0.808 -9.847 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.239 -2.672 -12.424 1.00 0.00 C ATOM 1170 CG GLU A 74 -1.009 -1.718 -13.448 1.00 0.00 C ATOM 1171 CD GLU A 74 0.385 -1.182 -13.584 1.00 0.00 C ATOM 1172 OE1 GLU A 74 0.639 -0.307 -12.728 1.00 0.00 O ATOM 1173 OE2 GLU A 74 1.210 -1.613 -14.371 1.00 0.00 O ATOM 0 H GLU A 74 -3.648 -2.595 -12.487 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.755 -3.119 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.254 -3.005 -12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.718 -3.523 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.292 -2.168 -14.399 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.680 -0.875 -13.282 1.00 0.00 H new ATOM 1180 N GLU A 75 -2.760 -0.137 -10.750 1.00 0.00 N ATOM 1181 CA GLU A 75 -2.706 1.202 -10.195 1.00 0.00 C ATOM 1182 C GLU A 75 -3.437 1.282 -8.860 1.00 0.00 C ATOM 1183 O GLU A 75 -3.324 2.276 -8.139 1.00 0.00 O ATOM 1184 CB GLU A 75 -3.330 2.156 -11.226 1.00 0.00 C ATOM 1185 CG GLU A 75 -2.596 3.060 -12.035 1.00 0.00 C ATOM 1186 CD GLU A 75 -3.018 3.194 -13.469 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -3.405 2.264 -14.155 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -3.088 4.390 -13.828 1.00 0.00 O ATOM 0 H GLU A 75 -3.618 -0.343 -11.261 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.672 1.482 -9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.896 1.528 -11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.053 2.761 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.649 4.046 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.549 2.756 -12.018 1.00 0.00 H new ATOM 1195 N LEU A 76 -4.068 0.178 -8.470 1.00 0.00 N ATOM 1196 CA LEU A 76 -4.352 -0.080 -7.061 1.00 0.00 C ATOM 1197 C LEU A 76 -3.165 -0.784 -6.407 1.00 0.00 C ATOM 1198 O LEU A 76 -3.050 -0.807 -5.181 1.00 0.00 O ATOM 1199 CB LEU A 76 -5.665 -0.856 -6.959 1.00 0.00 C ATOM 1200 CG LEU A 76 -6.659 -0.473 -5.882 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -7.726 -1.552 -5.713 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -5.945 -0.260 -4.550 1.00 0.00 C ATOM 0 H LEU A 76 -4.392 -0.550 -9.107 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.484 0.850 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.172 -0.774 -7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.416 -1.908 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.140 0.455 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.427 -1.252 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.263 -1.683 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.251 -2.492 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.673 0.015 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.441 -1.181 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.210 0.538 -4.655 1.00 0.00 H new ATOM 1214 N ARG A 77 -2.508 -1.639 -7.198 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.218 -2.186 -6.770 1.00 0.00 C ATOM 1216 C ARG A 77 -0.191 -1.053 -6.679 1.00 0.00 C ATOM 1217 O ARG A 77 0.621 -1.034 -5.749 1.00 0.00 O ATOM 1218 CB ARG A 77 -0.716 -3.268 -7.724 1.00 0.00 C ATOM 1219 CG ARG A 77 0.633 -3.871 -7.352 1.00 0.00 C ATOM 1220 CD ARG A 77 0.725 -5.304 -7.754 1.00 0.00 C ATOM 1221 NE ARG A 77 0.697 -5.472 -9.199 1.00 0.00 N ATOM 1222 CZ ARG A 77 1.798 -5.569 -9.946 1.00 0.00 C ATOM 1223 NH1 ARG A 77 3.004 -5.327 -9.443 1.00 0.00 N ATOM 1224 NH2 ARG A 77 1.682 -5.864 -11.242 1.00 0.00 N ATOM 0 H ARG A 77 -2.835 -1.959 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.353 -2.648 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.456 -4.067 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.645 -2.845 -8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.430 -3.306 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.787 -3.784 -6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.646 -5.732 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.102 -5.858 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.210 -5.518 -9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.104 -5.060 -8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.830 -5.408 -10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.759 -6.012 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.516 -5.941 -11.824 1.00 0.00 H new ATOM 1238 N SER A 78 -0.530 0.045 -7.354 1.00 0.00 N ATOM 1239 CA SER A 78 0.216 1.290 -7.230 1.00 0.00 C ATOM 1240 C SER A 78 -0.269 2.070 -6.007 1.00 0.00 C ATOM 1241 O SER A 78 0.532 2.371 -5.113 1.00 0.00 O ATOM 1242 CB SER A 78 0.169 2.103 -8.506 1.00 0.00 C ATOM 1243 OG SER A 78 -0.875 3.050 -8.545 1.00 0.00 O ATOM 0 H SER A 78 -1.322 0.094 -7.995 1.00 0.00 H new ATOM 0 HA SER A 78 1.269 1.055 -7.073 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.120 2.621 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.062 1.425 -9.353 1.00 0.00 H new ATOM 0 HG SER A 78 -1.658 2.693 -8.076 1.00 0.00 H new ATOM 1249 N LEU A 79 -1.577 1.949 -5.768 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.200 2.513 -4.580 1.00 0.00 C ATOM 1251 C LEU A 79 -1.858 1.681 -3.347 1.00 0.00 C ATOM 1252 O LEU A 79 -2.082 2.106 -2.215 1.00 0.00 O ATOM 1253 CB LEU A 79 -3.710 2.616 -4.855 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.399 3.917 -4.495 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -3.615 5.121 -4.998 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -5.797 3.914 -5.110 1.00 0.00 C ATOM 0 H LEU A 79 -2.224 1.462 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.820 3.512 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.872 2.432 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.206 1.811 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.460 3.995 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.138 6.037 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.622 5.121 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.523 5.068 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.307 4.845 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.718 3.824 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.366 3.072 -4.716 1.00 0.00 H new ATOM 1268 N TYR A 80 -1.367 0.473 -3.593 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.160 -0.504 -2.532 1.00 0.00 C ATOM 1270 C TYR A 80 0.305 -0.470 -2.083 1.00 0.00 C ATOM 1271 O TYR A 80 0.590 -0.614 -0.893 1.00 0.00 O ATOM 1272 CB TYR A 80 -1.550 -1.921 -2.999 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.309 -3.005 -1.974 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -0.073 -3.645 -1.897 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -2.323 -3.429 -1.110 1.00 0.00 C ATOM 1276 CE1 TYR A 80 0.185 -4.610 -0.927 1.00 0.00 C ATOM 1277 CE2 TYR A 80 -2.103 -4.447 -0.180 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.830 -5.005 -0.067 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.495 -5.834 0.973 1.00 0.00 O ATOM 0 H TYR A 80 -1.104 0.145 -4.522 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.801 -0.246 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.606 -1.923 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.988 -2.160 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.701 -3.387 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.295 -2.960 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.169 -5.048 -0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.910 -4.799 0.445 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.094 -5.667 1.730 1.00 0.00 H new ATOM 1289 N ASN A 81 1.128 0.112 -2.958 1.00 0.00 N ATOM 1290 CA ASN A 81 2.508 0.424 -2.625 1.00 0.00 C ATOM 1291 C ASN A 81 2.583 1.708 -1.804 1.00 0.00 C ATOM 1292 O ASN A 81 3.204 1.733 -0.741 1.00 0.00 O ATOM 1293 CB ASN A 81 3.416 0.389 -3.844 1.00 0.00 C ATOM 1294 CG ASN A 81 3.215 1.538 -4.816 1.00 0.00 C ATOM 1295 OD1 ASN A 81 3.007 2.696 -4.385 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.673 1.330 -6.056 1.00 0.00 N ATOM 0 H ASN A 81 0.855 0.375 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 81 2.903 -0.363 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.453 0.392 -3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.255 -0.550 -4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.860 2.123 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.835 0.379 -6.387 1.00 0.00 H new ATOM 1303 N THR A 82 1.693 2.642 -2.146 1.00 0.00 N ATOM 1304 CA THR A 82 1.651 3.927 -1.463 1.00 0.00 C ATOM 1305 C THR A 82 0.931 3.783 -0.119 1.00 0.00 C ATOM 1306 O THR A 82 1.537 4.082 0.920 1.00 0.00 O ATOM 1307 CB THR A 82 0.978 5.056 -2.342 1.00 0.00 C ATOM 1308 OG1 THR A 82 0.501 4.462 -3.567 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.862 6.284 -2.564 1.00 0.00 C ATOM 0 H THR A 82 0.999 2.530 -2.886 1.00 0.00 H new ATOM 0 HA THR A 82 2.681 4.239 -1.288 1.00 0.00 H new ATOM 0 HB THR A 82 0.131 5.462 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.238 3.994 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.328 7.011 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.111 6.732 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.779 5.985 -3.073 1.00 0.00 H new ATOM 1317 N ILE A 83 -0.087 2.927 -0.132 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.788 2.562 1.100 1.00 0.00 C ATOM 1319 C ILE A 83 0.135 1.771 2.006 1.00 0.00 C ATOM 1320 O ILE A 83 0.294 2.099 3.184 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.154 1.884 0.772 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.193 3.032 0.477 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.717 0.933 1.845 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.368 3.982 1.688 1.00 0.00 C ATOM 0 H ILE A 83 -0.444 2.475 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.055 3.451 1.671 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.977 1.234 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.863 3.606 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.156 2.592 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.668 0.523 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.012 0.120 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.870 1.482 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.093 4.758 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.724 3.414 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.411 4.444 1.929 1.00 0.00 H new ATOM 1336 N ALA A 84 0.712 0.700 1.463 1.00 0.00 N ATOM 1337 CA ALA A 84 1.489 -0.234 2.259 1.00 0.00 C ATOM 1338 C ALA A 84 2.697 0.488 2.877 1.00 0.00 C ATOM 1339 O ALA A 84 2.681 0.659 4.118 1.00 0.00 O ATOM 1340 CB ALA A 84 1.923 -1.442 1.453 1.00 0.00 C ATOM 0 H ALA A 84 0.653 0.462 0.473 1.00 0.00 H new ATOM 0 HA ALA A 84 0.853 -0.608 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.501 -2.114 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.043 -1.965 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.537 -1.117 0.613 1.00 0.00 H new ATOM 1346 N VAL A 85 3.282 1.370 2.065 1.00 0.00 N ATOM 1347 CA VAL A 85 4.325 2.268 2.542 1.00 0.00 C ATOM 1348 C VAL A 85 3.768 3.181 3.638 1.00 0.00 C ATOM 1349 O VAL A 85 4.453 3.422 4.633 1.00 0.00 O ATOM 1350 CB VAL A 85 4.982 3.019 1.372 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.908 4.150 1.816 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.721 2.069 0.439 1.00 0.00 C ATOM 0 H VAL A 85 3.050 1.479 1.078 1.00 0.00 H new ATOM 0 HA VAL A 85 5.128 1.692 3.001 1.00 0.00 H new ATOM 0 HB VAL A 85 4.158 3.480 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.336 4.635 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.340 4.880 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.709 3.743 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.172 2.636 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.501 1.548 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.019 1.342 0.030 1.00 0.00 H new ATOM 1362 N LEU A 86 2.706 3.900 3.288 1.00 0.00 N ATOM 1363 CA LEU A 86 2.149 4.915 4.167 1.00 0.00 C ATOM 1364 C LEU A 86 1.671 4.264 5.479 1.00 0.00 C ATOM 1365 O LEU A 86 1.935 4.816 6.552 1.00 0.00 O ATOM 1366 CB LEU A 86 1.048 5.670 3.421 1.00 0.00 C ATOM 1367 CG LEU A 86 0.731 7.085 3.876 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.999 7.904 4.070 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.157 7.746 2.825 1.00 0.00 C ATOM 0 H LEU A 86 2.215 3.796 2.400 1.00 0.00 H new ATOM 0 HA LEU A 86 2.905 5.648 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.323 5.710 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.132 5.082 3.489 1.00 0.00 H new ATOM 0 HG LEU A 86 0.218 7.040 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.736 8.910 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.626 7.431 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.545 7.958 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.394 8.763 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.367 7.772 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.079 7.175 2.717 1.00 0.00 H new ATOM 1381 N TYR A 87 1.511 2.935 5.382 1.00 0.00 N ATOM 1382 CA TYR A 87 1.399 2.084 6.549 1.00 0.00 C ATOM 1383 C TYR A 87 2.759 1.840 7.188 1.00 0.00 C ATOM 1384 O TYR A 87 2.925 1.973 8.402 1.00 0.00 O ATOM 1385 CB TYR A 87 0.679 0.757 6.243 1.00 0.00 C ATOM 1386 CG TYR A 87 0.124 0.082 7.498 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.965 -0.136 8.598 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.253 0.119 7.735 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.448 -0.542 9.829 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -1.786 -0.239 8.970 1.00 0.00 C ATOM 1391 CZ TYR A 87 -0.933 -0.601 10.004 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.492 -0.975 11.193 1.00 0.00 O ATOM 0 H TYR A 87 1.457 2.435 4.494 1.00 0.00 H new ATOM 0 HA TYR A 87 0.779 2.619 7.269 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.137 0.944 5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.373 0.078 5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.029 0.013 8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.917 0.432 6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.112 -0.808 10.638 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.855 -0.235 9.123 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.469 -0.953 11.117 1.00 0.00 H new ATOM 1402 N CYS A 88 3.757 1.600 6.349 1.00 0.00 N ATOM 1403 CA CYS A 88 5.131 1.419 6.786 1.00 0.00 C ATOM 1404 C CYS A 88 5.612 2.639 7.580 1.00 0.00 C ATOM 1405 O CYS A 88 6.089 2.502 8.708 1.00 0.00 O ATOM 1406 CB CYS A 88 6.045 1.176 5.581 1.00 0.00 C ATOM 1407 SG CYS A 88 7.138 -0.251 5.694 1.00 0.00 S ATOM 0 H CYS A 88 3.633 1.525 5.339 1.00 0.00 H new ATOM 0 HA CYS A 88 5.171 0.547 7.438 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.421 1.062 4.694 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.656 2.066 5.428 1.00 0.00 H new ATOM 0 HG CYS A 88 7.190 -0.850 4.541 1.00 0.00 H new ATOM 1412 N VAL A 89 5.124 3.805 7.157 1.00 0.00 N ATOM 1413 CA VAL A 89 5.638 5.064 7.682 1.00 0.00 C ATOM 1414 C VAL A 89 4.861 5.454 8.940 1.00 0.00 C ATOM 1415 O VAL A 89 5.450 5.493 10.036 1.00 0.00 O ATOM 1416 CB VAL A 89 5.628 6.151 6.589 1.00 0.00 C ATOM 1417 CG1 VAL A 89 6.442 7.380 6.978 1.00 0.00 C ATOM 1418 CG2 VAL A 89 6.086 5.607 5.244 1.00 0.00 C ATOM 0 H VAL A 89 4.384 3.901 6.462 1.00 0.00 H new ATOM 0 HA VAL A 89 6.681 4.948 7.978 1.00 0.00 H new ATOM 0 HB VAL A 89 4.590 6.468 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.401 8.113 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.030 7.816 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.478 7.090 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.064 6.405 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.102 5.223 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.420 4.803 4.931 1.00 0.00 H new ATOM 1428 N HIS A 90 3.543 5.273 8.854 1.00 0.00 N ATOM 1429 CA HIS A 90 2.662 5.612 9.962 1.00 0.00 C ATOM 1430 C HIS A 90 2.998 4.757 11.183 1.00 0.00 C ATOM 1431 O HIS A 90 2.690 5.129 12.314 1.00 0.00 O ATOM 1432 CB HIS A 90 1.157 5.447 9.641 1.00 0.00 C ATOM 1433 CG HIS A 90 0.694 6.354 8.536 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.984 7.693 8.468 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.289 6.141 7.619 1.00 0.00 C ATOM 1436 CE1 HIS A 90 0.310 8.233 7.465 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.443 7.306 6.916 1.00 0.00 N ATOM 0 H HIS A 90 3.069 4.896 8.033 1.00 0.00 H new ATOM 0 HA HIS A 90 2.835 6.670 10.161 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.961 4.412 9.361 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.574 5.650 10.540 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.618 8.193 9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.843 5.226 7.473 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.369 9.264 7.150 1.00 0.00 H new ATOM 1446 N GLN A 91 3.374 3.511 10.906 1.00 0.00 N ATOM 1447 CA GLN A 91 3.786 2.591 11.957 1.00 0.00 C ATOM 1448 C GLN A 91 5.034 3.127 12.664 1.00 0.00 C ATOM 1449 O GLN A 91 5.149 3.024 13.888 1.00 0.00 O ATOM 1450 CB GLN A 91 4.016 1.170 11.438 1.00 0.00 C ATOM 1451 CG GLN A 91 4.460 0.189 12.504 1.00 0.00 C ATOM 1452 CD GLN A 91 3.334 -0.259 13.404 1.00 0.00 C ATOM 1453 OE1 GLN A 91 2.556 -1.151 13.079 1.00 0.00 O ATOM 1454 NE2 GLN A 91 3.253 0.380 14.569 1.00 0.00 N ATOM 0 H GLN A 91 3.401 3.118 9.965 1.00 0.00 H new ATOM 0 HA GLN A 91 2.968 2.527 12.675 1.00 0.00 H new ATOM 0 HB2 GLN A 91 3.094 0.806 10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.768 1.199 10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.902 -0.684 12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.240 0.649 13.110 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.923 1.115 14.795 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.521 0.134 15.236 1.00 0.00 H new ATOM 1463 N ARG A 92 6.089 3.279 11.860 1.00 0.00 N ATOM 1464 CA ARG A 92 7.440 3.469 12.350 1.00 0.00 C ATOM 1465 C ARG A 92 8.430 3.355 11.170 1.00 0.00 C ATOM 1466 O ARG A 92 9.524 3.915 11.241 1.00 0.00 O ATOM 1467 CB ARG A 92 7.846 2.446 13.418 1.00 0.00 C ATOM 1468 CG ARG A 92 7.777 2.960 14.849 1.00 0.00 C ATOM 1469 CD ARG A 92 8.898 2.432 15.679 1.00 0.00 C ATOM 1470 NE ARG A 92 9.107 1.006 15.475 1.00 0.00 N ATOM 1471 CZ ARG A 92 10.312 0.461 15.300 1.00 0.00 C ATOM 1472 NH1 ARG A 92 11.427 1.160 15.496 1.00 0.00 N ATOM 1473 NH2 ARG A 92 10.402 -0.830 14.979 1.00 0.00 N ATOM 0 H ARG A 92 6.020 3.272 10.842 1.00 0.00 H new ATOM 0 HA ARG A 92 7.470 4.457 12.810 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.201 1.572 13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.864 2.113 13.215 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.808 4.050 14.846 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.826 2.669 15.295 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.814 2.971 15.435 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.688 2.620 16.732 1.00 0.00 H new ATOM 0 HE ARG A 92 8.292 0.393 15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.372 2.136 15.787 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.336 0.720 15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.556 -1.389 14.870 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.317 -1.259 14.842 1.00 0.00 H new ATOM 1487 N ILE A 93 8.227 2.272 10.418 1.00 0.00 N ATOM 1488 CA ILE A 93 9.177 1.848 9.399 1.00 0.00 C ATOM 1489 C ILE A 93 9.335 2.940 8.341 1.00 0.00 C ATOM 1490 O ILE A 93 8.341 3.474 7.847 1.00 0.00 O ATOM 1491 CB ILE A 93 8.690 0.491 8.755 1.00 0.00 C ATOM 1492 CG1 ILE A 93 8.256 -0.477 9.888 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.727 -0.136 7.807 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.734 -0.475 10.170 1.00 0.00 C ATOM 0 H ILE A 93 7.406 1.672 10.500 1.00 0.00 H new ATOM 0 HA ILE A 93 10.153 1.682 9.855 1.00 0.00 H new ATOM 0 HB ILE A 93 7.831 0.701 8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.565 -1.489 9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.785 -0.209 10.803 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.331 -1.066 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.941 0.556 6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.645 -0.344 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.512 -1.177 10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.420 0.526 10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.197 -0.773 9.270 1.00 0.00 H new ATOM 1506 N ASP A 94 10.564 3.100 7.858 1.00 0.00 N ATOM 1507 CA ASP A 94 10.811 3.812 6.611 1.00 0.00 C ATOM 1508 C ASP A 94 11.460 2.889 5.585 1.00 0.00 C ATOM 1509 O ASP A 94 12.315 2.071 5.924 1.00 0.00 O ATOM 1510 CB ASP A 94 11.555 5.125 6.832 1.00 0.00 C ATOM 1511 CG ASP A 94 12.940 4.943 7.422 1.00 0.00 C ATOM 1512 OD1 ASP A 94 13.090 4.710 8.631 1.00 0.00 O ATOM 1513 OD2 ASP A 94 13.900 5.086 6.634 1.00 0.00 O ATOM 0 H ASP A 94 11.405 2.745 8.313 1.00 0.00 H new ATOM 0 HA ASP A 94 9.852 4.112 6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.640 5.650 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.967 5.760 7.495 1.00 0.00 H new ATOM 1518 N VAL A 95 11.298 3.274 4.312 1.00 0.00 N ATOM 1519 CA VAL A 95 11.708 2.382 3.221 1.00 0.00 C ATOM 1520 C VAL A 95 12.400 3.172 2.124 1.00 0.00 C ATOM 1521 O VAL A 95 12.744 4.342 2.303 1.00 0.00 O ATOM 1522 CB VAL A 95 10.524 1.509 2.782 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.736 0.963 3.974 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.591 2.219 1.814 1.00 0.00 C ATOM 0 H VAL A 95 10.900 4.166 4.019 1.00 0.00 H new ATOM 0 HA VAL A 95 12.463 1.672 3.557 1.00 0.00 H new ATOM 0 HB VAL A 95 10.968 0.667 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.909 0.352 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.392 0.355 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.345 1.793 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.774 1.551 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.186 3.113 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.143 2.503 0.918 1.00 0.00 H new ATOM 1534 N LYS A 96 12.794 2.455 1.071 1.00 0.00 N ATOM 1535 CA LYS A 96 13.432 3.076 -0.081 1.00 0.00 C ATOM 1536 C LYS A 96 12.718 2.666 -1.365 1.00 0.00 C ATOM 1537 O LYS A 96 12.449 3.495 -2.232 1.00 0.00 O ATOM 1538 CB LYS A 96 14.909 2.693 -0.189 1.00 0.00 C ATOM 1539 CG LYS A 96 15.835 3.530 0.694 1.00 0.00 C ATOM 1540 CD LYS A 96 16.013 4.950 0.192 1.00 0.00 C ATOM 1541 CE LYS A 96 16.649 5.064 -1.131 1.00 0.00 C ATOM 1542 NZ LYS A 96 17.839 4.183 -1.240 1.00 0.00 N ATOM 0 H LYS A 96 12.681 1.444 0.996 1.00 0.00 H new ATOM 0 HA LYS A 96 13.364 4.155 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.022 1.642 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.225 2.794 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.434 3.557 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.810 3.046 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.036 5.431 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.611 5.504 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.929 4.802 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.944 6.099 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.414 4.476 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 18.407 4.257 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.531 3.198 -1.369 1.00 0.00 H new ATOM 1556 N ASP A 97 12.192 1.440 -1.339 1.00 0.00 N ATOM 1557 CA ASP A 97 11.548 0.874 -2.526 1.00 0.00 C ATOM 1558 C ASP A 97 10.121 0.446 -2.178 1.00 0.00 C ATOM 1559 O ASP A 97 9.874 -0.052 -1.076 1.00 0.00 O ATOM 1560 CB ASP A 97 12.413 -0.208 -3.155 1.00 0.00 C ATOM 1561 CG ASP A 97 11.726 -1.032 -4.223 1.00 0.00 C ATOM 1562 OD1 ASP A 97 11.500 -0.460 -5.309 1.00 0.00 O ATOM 1563 OD2 ASP A 97 11.351 -2.191 -3.980 1.00 0.00 O ATOM 0 H ASP A 97 12.198 0.828 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 97 11.454 1.629 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 97 13.296 0.260 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.762 -0.877 -2.368 1.00 0.00 H new ATOM 1568 N THR A 98 9.328 0.266 -3.236 1.00 0.00 N ATOM 1569 CA THR A 98 8.037 -0.387 -3.149 1.00 0.00 C ATOM 1570 C THR A 98 8.181 -1.801 -2.569 1.00 0.00 C ATOM 1571 O THR A 98 7.341 -2.201 -1.755 1.00 0.00 O ATOM 1572 CB THR A 98 7.329 -0.467 -4.568 1.00 0.00 C ATOM 1573 OG1 THR A 98 7.288 0.888 -5.093 1.00 0.00 O ATOM 1574 CG2 THR A 98 5.961 -1.145 -4.542 1.00 0.00 C ATOM 0 H THR A 98 9.572 0.573 -4.178 1.00 0.00 H new ATOM 0 HA THR A 98 7.416 0.214 -2.485 1.00 0.00 H new ATOM 0 HB THR A 98 7.904 -1.115 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.192 1.167 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.543 -1.160 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.068 -2.167 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.294 -0.593 -3.881 1.00 0.00 H new ATOM 1582 N LYS A 99 8.872 -2.640 -3.343 1.00 0.00 N ATOM 1583 CA LYS A 99 8.955 -4.063 -3.054 1.00 0.00 C ATOM 1584 C LYS A 99 9.599 -4.287 -1.681 1.00 0.00 C ATOM 1585 O LYS A 99 9.086 -5.093 -0.895 1.00 0.00 O ATOM 1586 CB LYS A 99 9.765 -4.818 -4.106 1.00 0.00 C ATOM 1587 CG LYS A 99 9.210 -4.695 -5.525 1.00 0.00 C ATOM 1588 CD LYS A 99 9.356 -5.970 -6.334 1.00 0.00 C ATOM 1589 CE LYS A 99 8.281 -6.957 -6.135 1.00 0.00 C ATOM 1590 NZ LYS A 99 6.942 -6.318 -6.185 1.00 0.00 N ATOM 0 H LYS A 99 9.383 -2.351 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 99 7.936 -4.449 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.790 -4.448 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.804 -5.872 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.156 -4.423 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.724 -3.884 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.399 -5.709 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.309 -6.436 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.347 -7.728 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.414 -7.452 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.245 -7.000 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.666 -6.014 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.975 -5.491 -6.815 1.00 0.00 H new ATOM 1604 N GLU A 100 10.328 -3.250 -1.248 1.00 0.00 N ATOM 1605 CA GLU A 100 10.961 -3.270 0.062 1.00 0.00 C ATOM 1606 C GLU A 100 9.944 -2.968 1.155 1.00 0.00 C ATOM 1607 O GLU A 100 9.945 -3.598 2.212 1.00 0.00 O ATOM 1608 CB GLU A 100 12.089 -2.228 0.045 1.00 0.00 C ATOM 1609 CG GLU A 100 13.349 -2.395 0.673 1.00 0.00 C ATOM 1610 CD GLU A 100 13.937 -1.198 1.360 1.00 0.00 C ATOM 1611 OE1 GLU A 100 13.520 -1.073 2.532 1.00 0.00 O ATOM 1612 OE2 GLU A 100 14.769 -0.461 0.859 1.00 0.00 O ATOM 0 H GLU A 100 10.489 -2.398 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 100 11.369 -4.258 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.300 -2.029 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.663 -1.316 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.257 -3.195 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.060 -2.735 -0.080 1.00 0.00 H new ATOM 1619 N ALA A 101 9.154 -1.919 0.930 1.00 0.00 N ATOM 1620 CA ALA A 101 8.040 -1.607 1.815 1.00 0.00 C ATOM 1621 C ALA A 101 7.026 -2.747 1.809 1.00 0.00 C ATOM 1622 O ALA A 101 6.930 -3.499 2.785 1.00 0.00 O ATOM 1623 CB ALA A 101 7.391 -0.287 1.420 1.00 0.00 C ATOM 0 H ALA A 101 9.266 -1.276 0.146 1.00 0.00 H new ATOM 0 HA ALA A 101 8.420 -1.497 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.561 -0.073 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.127 0.514 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.019 -0.356 0.398 1.00 0.00 H new ATOM 1629 N LEU A 102 6.555 -3.085 0.611 1.00 0.00 N ATOM 1630 CA LEU A 102 5.461 -4.029 0.467 1.00 0.00 C ATOM 1631 C LEU A 102 5.853 -5.396 1.033 1.00 0.00 C ATOM 1632 O LEU A 102 4.998 -6.091 1.591 1.00 0.00 O ATOM 1633 CB LEU A 102 5.054 -4.073 -1.014 1.00 0.00 C ATOM 1634 CG LEU A 102 3.576 -4.257 -1.315 1.00 0.00 C ATOM 1635 CD1 LEU A 102 2.838 -2.926 -1.265 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.435 -4.884 -2.698 1.00 0.00 C ATOM 0 H LEU A 102 6.916 -2.718 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 102 4.592 -3.712 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.383 -3.146 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.601 -4.885 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 102 3.135 -4.909 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.782 -3.087 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.940 -2.491 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.263 -2.247 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.379 -5.023 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.886 -4.228 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.939 -5.850 -2.713 1.00 0.00 H new ATOM 1648 N ASP A 103 7.158 -5.567 1.227 1.00 0.00 N ATOM 1649 CA ASP A 103 7.688 -6.705 1.963 1.00 0.00 C ATOM 1650 C ASP A 103 7.464 -6.525 3.462 1.00 0.00 C ATOM 1651 O ASP A 103 6.566 -7.141 4.039 1.00 0.00 O ATOM 1652 CB ASP A 103 9.134 -7.007 1.580 1.00 0.00 C ATOM 1653 CG ASP A 103 9.519 -8.459 1.793 1.00 0.00 C ATOM 1654 OD1 ASP A 103 8.651 -9.342 1.864 1.00 0.00 O ATOM 1655 OD2 ASP A 103 10.744 -8.707 1.828 1.00 0.00 O ATOM 0 H ASP A 103 7.871 -4.925 0.881 1.00 0.00 H new ATOM 0 HA ASP A 103 7.133 -7.598 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.287 -6.747 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.798 -6.372 2.166 1.00 0.00 H new ATOM 1660 N LYS A 104 8.077 -5.479 4.004 1.00 0.00 N ATOM 1661 CA LYS A 104 7.954 -5.146 5.412 1.00 0.00 C ATOM 1662 C LYS A 104 6.499 -4.941 5.815 1.00 0.00 C ATOM 1663 O LYS A 104 6.124 -5.226 6.959 1.00 0.00 O ATOM 1664 CB LYS A 104 8.754 -3.887 5.766 1.00 0.00 C ATOM 1665 CG LYS A 104 9.437 -3.951 7.129 1.00 0.00 C ATOM 1666 CD LYS A 104 10.949 -4.042 7.036 1.00 0.00 C ATOM 1667 CE LYS A 104 11.596 -2.905 6.362 1.00 0.00 C ATOM 1668 NZ LYS A 104 12.975 -3.244 5.927 1.00 0.00 N ATOM 0 H LYS A 104 8.672 -4.840 3.477 1.00 0.00 H new ATOM 0 HA LYS A 104 8.360 -5.993 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.511 -3.722 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.086 -3.026 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.167 -3.066 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.060 -4.815 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.356 -4.129 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.212 -4.958 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.003 -2.608 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.626 -2.050 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.402 -2.421 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.547 -3.504 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.943 -4.045 5.264 1.00 0.00 H new ATOM 1682 N ILE A 105 5.642 -4.834 4.797 1.00 0.00 N ATOM 1683 CA ILE A 105 4.223 -4.587 5.028 1.00 0.00 C ATOM 1684 C ILE A 105 3.465 -5.913 5.115 1.00 0.00 C ATOM 1685 O ILE A 105 3.214 -6.372 6.251 1.00 0.00 O ATOM 1686 CB ILE A 105 3.650 -3.618 3.939 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.424 -2.261 4.046 1.00 0.00 C ATOM 1688 CG2 ILE A 105 2.130 -3.379 4.046 1.00 0.00 C ATOM 1689 CD1 ILE A 105 4.048 -1.454 5.315 1.00 0.00 C ATOM 0 H ILE A 105 5.905 -4.914 3.815 1.00 0.00 H new ATOM 0 HA ILE A 105 4.089 -4.085 5.986 1.00 0.00 H new ATOM 0 HB ILE A 105 3.796 -4.088 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.496 -2.459 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.215 -1.658 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.812 -2.697 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.604 -4.328 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.898 -2.943 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.615 -0.523 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.982 -1.229 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.282 -2.042 6.203 1.00 0.00 H new ATOM 1701 N GLU A 106 3.688 -6.739 4.085 1.00 0.00 N ATOM 1702 CA GLU A 106 3.172 -8.098 4.070 1.00 0.00 C ATOM 1703 C GLU A 106 3.771 -8.912 5.218 1.00 0.00 C ATOM 1704 O GLU A 106 3.277 -9.993 5.540 1.00 0.00 O ATOM 1705 CB GLU A 106 3.524 -8.723 2.714 1.00 0.00 C ATOM 1706 CG GLU A 106 2.723 -9.677 2.033 1.00 0.00 C ATOM 1707 CD GLU A 106 2.894 -9.780 0.547 1.00 0.00 C ATOM 1708 OE1 GLU A 106 4.097 -9.864 0.216 1.00 0.00 O ATOM 1709 OE2 GLU A 106 1.971 -9.853 -0.245 1.00 0.00 O ATOM 0 H GLU A 106 4.223 -6.483 3.255 1.00 0.00 H new ATOM 0 HA GLU A 106 2.091 -8.093 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.653 -7.890 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.502 -9.187 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.925 -10.657 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.677 -9.448 2.238 1.00 0.00 H new