USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 41 CYS SG : rot 90:sc= 0.851 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -158:sc= -0.074 (180deg=-0.387) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -1.3 F(o=-3.5!,f=-1.3) USER MOD Single : A 20 SER OG : rot -37:sc= 1.07 USER MOD Single : A 23 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.029) USER MOD Single : A 25 SER OG : rot -120:sc= -0.385 USER MOD Single : A 36 THR OG1 : rot -170:sc= -1.02 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -67:sc= -1.26! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 50 CYS SG : rot 180:sc= 0.00285 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= 0.00798 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.101 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -106:sc= -0.237 (180deg=-1.73!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.693 19.095 3.763 1.00 0.00 N ATOM 148 CA THR A 13 11.002 18.347 4.976 1.00 0.00 C ATOM 149 C THR A 13 10.518 16.906 4.871 1.00 0.00 C ATOM 150 O THR A 13 9.374 16.635 4.503 1.00 0.00 O ATOM 151 CB THR A 13 10.365 19.002 6.216 1.00 0.00 C ATOM 152 OG1 THR A 13 11.136 20.139 6.621 1.00 0.00 O ATOM 153 CG2 THR A 13 10.275 18.009 7.366 1.00 0.00 C ATOM 0 HA THR A 13 12.086 18.356 5.086 1.00 0.00 H new ATOM 0 HB THR A 13 9.357 19.322 5.953 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.723 20.550 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.822 18.494 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.663 17.158 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.275 17.663 7.627 1.00 0.00 H new ATOM 161 N PRO A 14 11.405 15.957 5.201 1.00 0.00 N ATOM 162 CA PRO A 14 11.090 14.526 5.153 1.00 0.00 C ATOM 163 C PRO A 14 10.099 14.114 6.237 1.00 0.00 C ATOM 164 O PRO A 14 9.878 14.847 7.201 1.00 0.00 O ATOM 165 CB PRO A 14 12.446 13.855 5.386 1.00 0.00 C ATOM 166 CG PRO A 14 13.240 14.862 6.144 1.00 0.00 C ATOM 167 CD PRO A 14 12.786 16.208 5.648 1.00 0.00 C ATOM 0 HA PRO A 14 10.616 14.245 4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.338 12.929 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.928 13.599 4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.072 14.764 7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.308 14.724 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.823 16.960 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.413 16.569 4.833 1.00 0.00 H new ATOM 175 N VAL A 15 9.503 12.937 6.071 1.00 0.00 N ATOM 176 CA VAL A 15 8.537 12.427 7.036 1.00 0.00 C ATOM 177 C VAL A 15 8.610 10.908 7.137 1.00 0.00 C ATOM 178 O VAL A 15 9.181 10.244 6.271 1.00 0.00 O ATOM 179 CB VAL A 15 7.100 12.838 6.662 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.199 12.803 7.887 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.091 14.217 6.022 1.00 0.00 C ATOM 0 H VAL A 15 9.673 12.319 5.277 1.00 0.00 H new ATOM 0 HA VAL A 15 8.793 12.864 8.001 1.00 0.00 H new ATOM 0 HB VAL A 15 6.713 12.123 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.188 13.096 7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.182 11.793 8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.580 13.494 8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.068 14.492 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.497 14.946 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.702 14.203 5.119 1.00 0.00 H new ATOM 191 N PHE A 16 8.027 10.362 8.199 1.00 0.00 N ATOM 192 CA PHE A 16 8.026 8.919 8.414 1.00 0.00 C ATOM 193 C PHE A 16 6.654 8.440 8.880 1.00 0.00 C ATOM 194 O PHE A 16 6.092 8.972 9.836 1.00 0.00 O ATOM 195 CB PHE A 16 9.090 8.535 9.443 1.00 0.00 C ATOM 196 CG PHE A 16 9.830 7.275 9.098 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.906 7.305 8.224 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.452 6.060 9.647 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.589 6.147 7.904 1.00 0.00 C ATOM 200 CE2 PHE A 16 10.132 4.899 9.331 1.00 0.00 C ATOM 201 CZ PHE A 16 11.202 4.943 8.460 1.00 0.00 C ATOM 0 H PHE A 16 7.549 10.897 8.924 1.00 0.00 H new ATOM 0 HA PHE A 16 8.257 8.435 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.805 9.353 9.537 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.615 8.413 10.417 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.214 8.244 7.788 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.616 6.020 10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.424 6.183 7.220 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.827 3.958 9.765 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.736 4.037 8.213 1.00 0.00 H new ATOM 211 N GLU A 17 6.122 7.432 8.195 1.00 0.00 N ATOM 212 CA GLU A 17 4.816 6.882 8.537 1.00 0.00 C ATOM 213 C GLU A 17 4.827 5.359 8.449 1.00 0.00 C ATOM 214 O GLU A 17 5.685 4.772 7.791 1.00 0.00 O ATOM 215 CB GLU A 17 3.739 7.451 7.611 1.00 0.00 C ATOM 216 CG GLU A 17 2.525 7.991 8.347 1.00 0.00 C ATOM 217 CD GLU A 17 1.757 6.908 9.080 1.00 0.00 C ATOM 218 OE1 GLU A 17 0.926 6.233 8.437 1.00 0.00 O ATOM 219 OE2 GLU A 17 1.987 6.734 10.294 1.00 0.00 O ATOM 0 H GLU A 17 6.575 6.980 7.401 1.00 0.00 H new ATOM 0 HA GLU A 17 4.588 7.167 9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.174 8.250 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.417 6.672 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.845 8.750 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.862 8.483 7.635 1.00 0.00 H new ATOM 226 N GLN A 18 3.867 4.726 9.116 1.00 0.00 N ATOM 227 CA GLN A 18 3.767 3.272 9.113 1.00 0.00 C ATOM 228 C GLN A 18 2.322 2.826 8.911 1.00 0.00 C ATOM 229 O GLN A 18 1.411 3.318 9.578 1.00 0.00 O ATOM 230 CB GLN A 18 4.311 2.699 10.423 1.00 0.00 C ATOM 231 CG GLN A 18 5.754 2.227 10.327 1.00 0.00 C ATOM 232 CD GLN A 18 6.103 1.203 11.389 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.509 0.015 10.954 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 6.011 1.476 12.586 1.00 0.00 N flip ATOM 0 H GLN A 18 3.148 5.197 9.665 1.00 0.00 H new ATOM 0 HA GLN A 18 4.365 2.894 8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.237 3.459 11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.684 1.863 10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.927 1.796 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.420 3.085 10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.695 2.402 12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.251 0.777 13.289 1.00 0.00 H new ATOM 243 N LEU A 19 2.120 1.892 7.988 1.00 0.00 N ATOM 244 CA LEU A 19 0.785 1.379 7.698 1.00 0.00 C ATOM 245 C LEU A 19 0.745 -0.140 7.830 1.00 0.00 C ATOM 246 O LEU A 19 1.407 -0.857 7.079 1.00 0.00 O ATOM 247 CB LEU A 19 0.354 1.792 6.290 1.00 0.00 C ATOM 248 CG LEU A 19 -0.724 2.872 6.208 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.262 4.142 6.903 1.00 0.00 C ATOM 250 CD2 LEU A 19 -1.085 3.157 4.757 1.00 0.00 C ATOM 0 H LEU A 19 2.863 1.475 7.428 1.00 0.00 H new ATOM 0 HA LEU A 19 0.092 1.806 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.234 2.143 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.007 0.906 5.768 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.615 2.507 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.043 4.899 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.055 3.928 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.644 4.511 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.854 3.928 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.199 3.500 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.461 2.247 4.290 1.00 0.00 H new ATOM 262 N SER A 20 -0.037 -0.625 8.789 1.00 0.00 N ATOM 263 CA SER A 20 -0.164 -2.059 9.021 1.00 0.00 C ATOM 264 C SER A 20 -1.158 -2.681 8.046 1.00 0.00 C ATOM 265 O SER A 20 -2.349 -2.370 8.074 1.00 0.00 O ATOM 266 CB SER A 20 -0.606 -2.328 10.461 1.00 0.00 C ATOM 267 OG SER A 20 -1.980 -2.668 10.516 1.00 0.00 O ATOM 0 H SER A 20 -0.593 -0.046 9.418 1.00 0.00 H new ATOM 0 HA SER A 20 0.812 -2.516 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.010 -3.138 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.422 -1.445 11.073 1.00 0.00 H new ATOM 0 HG SER A 20 -2.474 -2.143 9.852 1.00 0.00 H new ATOM 273 N VAL A 21 -0.661 -3.564 7.186 1.00 0.00 N ATOM 274 CA VAL A 21 -1.505 -4.233 6.203 1.00 0.00 C ATOM 275 C VAL A 21 -1.582 -5.731 6.472 1.00 0.00 C ATOM 276 O VAL A 21 -0.641 -6.346 6.973 1.00 0.00 O ATOM 277 CB VAL A 21 -0.985 -4.006 4.771 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.594 -2.550 4.568 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.189 -4.928 4.478 1.00 0.00 C ATOM 0 H VAL A 21 0.322 -3.833 7.150 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.501 -3.800 6.294 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.786 -4.242 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.229 -2.410 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.463 -1.913 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.191 -2.282 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.544 -4.754 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.995 -4.726 5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.129 -5.966 4.578 1.00 0.00 H new ATOM 289 N PRO A 22 -2.731 -6.334 6.133 1.00 0.00 N ATOM 290 CA PRO A 22 -2.959 -7.769 6.329 1.00 0.00 C ATOM 291 C PRO A 22 -2.118 -8.624 5.387 1.00 0.00 C ATOM 292 O PRO A 22 -1.629 -8.140 4.367 1.00 0.00 O ATOM 293 CB PRO A 22 -4.449 -7.938 6.018 1.00 0.00 C ATOM 294 CG PRO A 22 -4.775 -6.806 5.106 1.00 0.00 C ATOM 295 CD PRO A 22 -3.896 -5.663 5.533 1.00 0.00 C ATOM 0 HA PRO A 22 -2.680 -8.092 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.648 -8.899 5.544 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.050 -7.900 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.587 -7.076 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.829 -6.537 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.609 -5.039 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.400 -5.015 6.250 1.00 0.00 H new ATOM 303 N GLN A 23 -1.954 -9.896 5.736 1.00 0.00 N ATOM 304 CA GLN A 23 -1.173 -10.817 4.920 1.00 0.00 C ATOM 305 C GLN A 23 -1.964 -11.268 3.696 1.00 0.00 C ATOM 306 O GLN A 23 -1.431 -11.939 2.813 1.00 0.00 O ATOM 307 CB GLN A 23 -0.752 -12.032 5.747 1.00 0.00 C ATOM 308 CG GLN A 23 -1.877 -13.028 5.981 1.00 0.00 C ATOM 309 CD GLN A 23 -1.461 -14.458 5.698 1.00 0.00 C ATOM 310 OE1 GLN A 23 -2.238 -15.249 5.163 1.00 0.00 O ATOM 311 NE2 GLN A 23 -0.227 -14.797 6.056 1.00 0.00 N ATOM 0 H GLN A 23 -2.352 -10.312 6.578 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.281 -10.292 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.071 -12.538 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.373 -11.692 6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.216 -12.950 7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.724 -12.768 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.383 -14.109 6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.110 -15.745 5.890 1.00 0.00 H new ATOM 320 N ARG A 24 -3.239 -10.896 3.653 1.00 0.00 N ATOM 321 CA ARG A 24 -4.105 -11.263 2.539 1.00 0.00 C ATOM 322 C ARG A 24 -4.121 -10.167 1.479 1.00 0.00 C ATOM 323 O ARG A 24 -4.507 -10.403 0.334 1.00 0.00 O ATOM 324 CB ARG A 24 -5.527 -11.529 3.037 1.00 0.00 C ATOM 325 CG ARG A 24 -6.091 -10.408 3.895 1.00 0.00 C ATOM 326 CD ARG A 24 -7.603 -10.311 3.761 1.00 0.00 C ATOM 327 NE ARG A 24 -8.245 -9.994 5.034 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.513 -10.900 5.968 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.195 -12.173 5.773 1.00 0.00 N ATOM 330 NH2 ARG A 24 -9.100 -10.535 7.100 1.00 0.00 N ATOM 0 H ARG A 24 -3.695 -10.341 4.377 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.710 -12.173 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.181 -11.682 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.534 -12.455 3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.827 -10.579 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.637 -9.461 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.854 -9.545 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.995 -11.255 3.382 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.502 -9.024 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.743 -12.459 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.402 -12.866 6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.346 -9.557 7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.305 -11.232 7.816 1.00 0.00 H new ATOM 344 N SER A 25 -3.701 -8.968 1.868 1.00 0.00 N ATOM 345 CA SER A 25 -3.672 -7.834 0.953 1.00 0.00 C ATOM 346 C SER A 25 -2.236 -7.454 0.604 1.00 0.00 C ATOM 347 O SER A 25 -1.987 -6.758 -0.381 1.00 0.00 O ATOM 348 CB SER A 25 -4.393 -6.634 1.569 1.00 0.00 C ATOM 349 OG SER A 25 -5.691 -6.991 2.011 1.00 0.00 O ATOM 0 H SER A 25 -3.376 -8.757 2.811 1.00 0.00 H new ATOM 0 HA SER A 25 -4.186 -8.126 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.813 -6.249 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.463 -5.832 0.835 1.00 0.00 H new ATOM 0 HG SER A 25 -6.358 -6.449 1.540 1.00 0.00 H new ATOM 355 N VAL A 26 -1.293 -7.916 1.420 1.00 0.00 N ATOM 356 CA VAL A 26 0.118 -7.627 1.198 1.00 0.00 C ATOM 357 C VAL A 26 0.610 -8.253 -0.102 1.00 0.00 C ATOM 358 O VAL A 26 1.588 -7.796 -0.692 1.00 0.00 O ATOM 359 CB VAL A 26 0.985 -8.141 2.363 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.089 -9.658 2.323 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.366 -7.504 2.320 1.00 0.00 C ATOM 0 H VAL A 26 -1.482 -8.492 2.241 1.00 0.00 H new ATOM 0 HA VAL A 26 0.213 -6.543 1.134 1.00 0.00 H new ATOM 0 HB VAL A 26 0.507 -7.858 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.705 -10.002 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.093 -10.093 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.543 -9.967 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.965 -7.878 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.854 -7.755 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.270 -6.421 2.401 1.00 0.00 H new ATOM 371 N GLY A 27 -0.075 -9.304 -0.544 1.00 0.00 N ATOM 372 CA GLY A 27 0.307 -9.976 -1.771 1.00 0.00 C ATOM 373 C GLY A 27 -0.049 -9.173 -3.007 1.00 0.00 C ATOM 374 O GLY A 27 0.547 -9.356 -4.067 1.00 0.00 O ATOM 0 H GLY A 27 -0.888 -9.701 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.381 -10.163 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.185 -10.947 -1.818 1.00 0.00 H new ATOM 378 N ARG A 28 -1.026 -8.282 -2.870 1.00 0.00 N ATOM 379 CA ARG A 28 -1.464 -7.452 -3.985 1.00 0.00 C ATOM 380 C ARG A 28 -0.723 -6.118 -3.993 1.00 0.00 C ATOM 381 O ARG A 28 -0.467 -5.544 -5.052 1.00 0.00 O ATOM 382 CB ARG A 28 -2.973 -7.208 -3.906 1.00 0.00 C ATOM 383 CG ARG A 28 -3.558 -6.605 -5.172 1.00 0.00 C ATOM 384 CD ARG A 28 -4.155 -7.674 -6.075 1.00 0.00 C ATOM 385 NE ARG A 28 -3.191 -8.160 -7.058 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.535 -8.799 -8.171 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.813 -9.025 -8.441 1.00 0.00 N ATOM 388 NH2 ARG A 28 -2.599 -9.210 -9.017 1.00 0.00 N ATOM 0 H ARG A 28 -1.529 -8.117 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.236 -7.981 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.475 -8.153 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.182 -6.544 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.327 -5.879 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.780 -6.064 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.505 -8.508 -5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.025 -7.268 -6.591 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.199 -8.000 -6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.535 -8.708 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.075 -9.516 -9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.615 -9.035 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.864 -9.701 -9.871 1.00 0.00 H new ATOM 402 N ILE A 29 -0.381 -5.630 -2.805 1.00 0.00 N ATOM 403 CA ILE A 29 0.330 -4.365 -2.675 1.00 0.00 C ATOM 404 C ILE A 29 1.788 -4.508 -3.100 1.00 0.00 C ATOM 405 O ILE A 29 2.265 -3.784 -3.975 1.00 0.00 O ATOM 406 CB ILE A 29 0.279 -3.835 -1.230 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.160 -3.849 -0.710 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.859 -2.431 -1.160 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.262 -4.096 0.779 1.00 0.00 C ATOM 0 H ILE A 29 -0.585 -6.092 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.171 -3.654 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 29 0.881 -4.487 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.632 -2.895 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.721 -4.621 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.816 -2.070 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.896 -2.449 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.281 -1.766 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.310 -4.093 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.820 -5.063 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.730 -3.311 1.315 1.00 0.00 H new ATOM 421 N ILE A 30 2.491 -5.449 -2.477 1.00 0.00 N ATOM 422 CA ILE A 30 3.893 -5.689 -2.793 1.00 0.00 C ATOM 423 C ILE A 30 4.045 -6.327 -4.170 1.00 0.00 C ATOM 424 O ILE A 30 4.978 -6.017 -4.909 1.00 0.00 O ATOM 425 CB ILE A 30 4.559 -6.597 -1.742 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.833 -5.812 -0.458 1.00 0.00 C ATOM 427 CG2 ILE A 30 5.848 -7.187 -2.293 1.00 0.00 C ATOM 428 CD1 ILE A 30 5.648 -6.580 0.559 1.00 0.00 C ATOM 0 H ILE A 30 2.112 -6.057 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 30 4.388 -4.718 -2.789 1.00 0.00 H new ATOM 0 HB ILE A 30 3.879 -7.415 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.357 -4.890 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.883 -5.525 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.307 -7.826 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.627 -7.777 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.535 -6.382 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.803 -5.961 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.116 -7.489 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.613 -6.844 0.127 1.00 0.00 H new ATOM 440 N GLY A 31 3.120 -7.220 -4.508 1.00 0.00 N ATOM 441 CA GLY A 31 3.168 -7.887 -5.796 1.00 0.00 C ATOM 442 C GLY A 31 3.774 -9.273 -5.708 1.00 0.00 C ATOM 443 O GLY A 31 3.609 -9.968 -4.706 1.00 0.00 O ATOM 0 H GLY A 31 2.338 -7.493 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.159 -7.960 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.749 -7.283 -6.493 1.00 0.00 H new ATOM 447 N ARG A 32 4.478 -9.677 -6.761 1.00 0.00 N ATOM 448 CA ARG A 32 5.108 -10.991 -6.801 1.00 0.00 C ATOM 449 C ARG A 32 6.410 -10.992 -6.005 1.00 0.00 C ATOM 450 O ARG A 32 6.648 -11.878 -5.186 1.00 0.00 O ATOM 451 CB ARG A 32 5.380 -11.407 -8.248 1.00 0.00 C ATOM 452 CG ARG A 32 6.778 -11.055 -8.728 1.00 0.00 C ATOM 453 CD ARG A 32 7.029 -11.574 -10.137 1.00 0.00 C ATOM 454 NE ARG A 32 8.339 -11.172 -10.642 1.00 0.00 N ATOM 455 CZ ARG A 32 9.483 -11.687 -10.209 1.00 0.00 C ATOM 456 NH1 ARG A 32 9.480 -12.620 -9.266 1.00 0.00 N ATOM 457 NH2 ARG A 32 10.635 -11.269 -10.718 1.00 0.00 N ATOM 0 H ARG A 32 4.626 -9.113 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 32 4.424 -11.709 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.232 -12.483 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.649 -10.927 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.909 -9.973 -8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.516 -11.478 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.957 -12.662 -10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.253 -11.201 -10.805 1.00 0.00 H new ATOM 0 HE ARG A 32 8.377 -10.456 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.597 -12.944 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.361 -13.014 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.642 -10.551 -11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.514 -11.665 -10.385 1.00 0.00 H new ATOM 471 N GLY A 33 7.252 -9.994 -6.255 1.00 0.00 N ATOM 472 CA GLY A 33 8.520 -9.900 -5.556 1.00 0.00 C ATOM 473 C GLY A 33 8.946 -8.464 -5.319 1.00 0.00 C ATOM 474 O GLY A 33 10.137 -8.170 -5.223 1.00 0.00 O ATOM 0 H GLY A 33 7.078 -9.249 -6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.443 -10.416 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.289 -10.413 -6.134 1.00 0.00 H new ATOM 478 N GLY A 34 7.969 -7.566 -5.225 1.00 0.00 N ATOM 479 CA GLY A 34 8.269 -6.165 -5.000 1.00 0.00 C ATOM 480 C GLY A 34 7.994 -5.310 -6.221 1.00 0.00 C ATOM 481 O GLY A 34 7.897 -4.088 -6.121 1.00 0.00 O ATOM 0 H GLY A 34 6.976 -7.785 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.675 -5.799 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.316 -6.062 -4.716 1.00 0.00 H new ATOM 485 N GLU A 35 7.870 -5.954 -7.377 1.00 0.00 N ATOM 486 CA GLU A 35 7.607 -5.244 -8.623 1.00 0.00 C ATOM 487 C GLU A 35 6.481 -4.230 -8.444 1.00 0.00 C ATOM 488 O GLU A 35 6.453 -3.190 -9.105 1.00 0.00 O ATOM 489 CB GLU A 35 7.246 -6.232 -9.734 1.00 0.00 C ATOM 490 CG GLU A 35 5.797 -6.687 -9.696 1.00 0.00 C ATOM 491 CD GLU A 35 5.434 -7.574 -10.872 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.004 -7.035 -11.912 1.00 0.00 O ATOM 493 OE2 GLU A 35 5.579 -8.809 -10.749 1.00 0.00 O ATOM 0 H GLU A 35 7.947 -6.966 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 35 8.514 -4.709 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.448 -5.769 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.894 -7.105 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.614 -7.228 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.145 -5.813 -9.690 1.00 0.00 H new ATOM 500 N THR A 36 5.551 -4.539 -7.545 1.00 0.00 N ATOM 501 CA THR A 36 4.421 -3.658 -7.279 1.00 0.00 C ATOM 502 C THR A 36 4.772 -2.619 -6.219 1.00 0.00 C ATOM 503 O THR A 36 4.261 -1.499 -6.242 1.00 0.00 O ATOM 504 CB THR A 36 3.186 -4.452 -6.815 1.00 0.00 C ATOM 505 OG1 THR A 36 2.966 -5.569 -7.683 1.00 0.00 O ATOM 506 CG2 THR A 36 1.949 -3.566 -6.795 1.00 0.00 C ATOM 0 H THR A 36 5.559 -5.394 -6.989 1.00 0.00 H new ATOM 0 HA THR A 36 4.187 -3.153 -8.216 1.00 0.00 H new ATOM 0 HB THR A 36 3.372 -4.811 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.097 -5.975 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.089 -4.149 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.109 -2.734 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.762 -3.180 -7.797 1.00 0.00 H new ATOM 514 N ILE A 37 5.646 -2.998 -5.293 1.00 0.00 N ATOM 515 CA ILE A 37 6.066 -2.098 -4.226 1.00 0.00 C ATOM 516 C ILE A 37 7.127 -1.120 -4.718 1.00 0.00 C ATOM 517 O ILE A 37 7.408 -0.113 -4.066 1.00 0.00 O ATOM 518 CB ILE A 37 6.621 -2.877 -3.019 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.259 -2.163 -1.714 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.129 -3.037 -3.140 1.00 0.00 C ATOM 521 CD1 ILE A 37 4.771 -1.955 -1.532 1.00 0.00 C ATOM 0 H ILE A 37 6.077 -3.922 -5.260 1.00 0.00 H new ATOM 0 HA ILE A 37 5.181 -1.543 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 37 6.170 -3.869 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.642 -2.742 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.759 -1.195 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.506 -3.590 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.365 -3.583 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.598 -2.053 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.588 -1.444 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.385 -1.350 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.267 -2.921 -1.525 1.00 0.00 H new ATOM 533 N ARG A 38 7.712 -1.421 -5.873 1.00 0.00 N ATOM 534 CA ARG A 38 8.742 -0.567 -6.452 1.00 0.00 C ATOM 535 C ARG A 38 8.127 0.473 -7.383 1.00 0.00 C ATOM 536 O ARG A 38 8.626 1.592 -7.497 1.00 0.00 O ATOM 537 CB ARG A 38 9.763 -1.412 -7.218 1.00 0.00 C ATOM 538 CG ARG A 38 10.537 -2.379 -6.337 1.00 0.00 C ATOM 539 CD ARG A 38 11.863 -2.769 -6.970 1.00 0.00 C ATOM 540 NE ARG A 38 12.911 -2.961 -5.971 1.00 0.00 N ATOM 541 CZ ARG A 38 14.181 -3.205 -6.275 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.559 -3.285 -7.543 1.00 0.00 N ATOM 543 NH2 ARG A 38 15.076 -3.370 -5.309 1.00 0.00 N ATOM 0 H ARG A 38 7.490 -2.249 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 38 9.247 -0.047 -5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.246 -1.976 -7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.467 -0.749 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.717 -1.922 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.939 -3.273 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.735 -3.688 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.170 -1.995 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 38 12.654 -2.905 -4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.874 -3.159 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.535 -3.472 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.789 -3.310 -4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.051 -3.557 -5.544 1.00 0.00 H new ATOM 557 N SER A 39 7.039 0.095 -8.048 1.00 0.00 N ATOM 558 CA SER A 39 6.357 0.993 -8.973 1.00 0.00 C ATOM 559 C SER A 39 5.676 2.131 -8.220 1.00 0.00 C ATOM 560 O SER A 39 5.607 3.260 -8.709 1.00 0.00 O ATOM 561 CB SER A 39 5.326 0.223 -9.798 1.00 0.00 C ATOM 562 OG SER A 39 5.537 0.415 -11.186 1.00 0.00 O ATOM 0 H SER A 39 6.611 -0.827 -7.963 1.00 0.00 H new ATOM 0 HA SER A 39 7.103 1.419 -9.644 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.386 -0.839 -9.561 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.322 0.553 -9.531 1.00 0.00 H new ATOM 0 HG SER A 39 4.866 -0.089 -11.692 1.00 0.00 H new ATOM 568 N ILE A 40 5.173 1.828 -7.028 1.00 0.00 N ATOM 569 CA ILE A 40 4.498 2.825 -6.207 1.00 0.00 C ATOM 570 C ILE A 40 5.474 3.893 -5.725 1.00 0.00 C ATOM 571 O ILE A 40 5.167 5.085 -5.750 1.00 0.00 O ATOM 572 CB ILE A 40 3.816 2.180 -4.986 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.848 1.084 -5.435 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.086 3.236 -4.169 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.439 0.146 -4.321 1.00 0.00 C ATOM 0 H ILE A 40 5.220 0.899 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 40 3.737 3.289 -6.835 1.00 0.00 H new ATOM 0 HB ILE A 40 4.582 1.727 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.955 1.548 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.312 0.506 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.609 2.765 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.798 3.985 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.327 3.715 -4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.752 -0.605 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.324 -0.346 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.946 0.712 -3.531 1.00 0.00 H new ATOM 587 N CYS A 41 6.651 3.457 -5.289 1.00 0.00 N ATOM 588 CA CYS A 41 7.673 4.375 -4.802 1.00 0.00 C ATOM 589 C CYS A 41 8.015 5.420 -5.860 1.00 0.00 C ATOM 590 O CYS A 41 8.317 6.570 -5.539 1.00 0.00 O ATOM 591 CB CYS A 41 8.933 3.605 -4.403 1.00 0.00 C ATOM 592 SG CYS A 41 8.641 2.287 -3.200 1.00 0.00 S ATOM 0 H CYS A 41 6.920 2.474 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 41 7.277 4.888 -3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.381 3.173 -5.298 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.659 4.306 -3.990 1.00 0.00 H new ATOM 0 HG CYS A 41 8.371 1.180 -3.826 1.00 0.00 H new ATOM 598 N LYS A 42 7.967 5.012 -7.123 1.00 0.00 N ATOM 599 CA LYS A 42 8.271 5.909 -8.230 1.00 0.00 C ATOM 600 C LYS A 42 7.042 6.721 -8.627 1.00 0.00 C ATOM 601 O LYS A 42 7.159 7.808 -9.191 1.00 0.00 O ATOM 602 CB LYS A 42 8.781 5.114 -9.435 1.00 0.00 C ATOM 603 CG LYS A 42 7.704 4.293 -10.120 1.00 0.00 C ATOM 604 CD LYS A 42 8.042 4.039 -11.581 1.00 0.00 C ATOM 605 CE LYS A 42 8.480 2.600 -11.808 1.00 0.00 C ATOM 606 NZ LYS A 42 9.466 2.490 -12.919 1.00 0.00 N ATOM 0 H LYS A 42 7.720 4.064 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 42 9.049 6.598 -7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.215 5.805 -10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.581 4.449 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.586 3.341 -9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.749 4.814 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.172 4.258 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.836 4.716 -11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.919 2.205 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.608 1.986 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.740 1.494 -13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.039 2.843 -13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.309 3.055 -12.692 1.00 0.00 H new ATOM 620 N ALA A 43 5.863 6.184 -8.327 1.00 0.00 N ATOM 621 CA ALA A 43 4.612 6.861 -8.650 1.00 0.00 C ATOM 622 C ALA A 43 4.310 7.965 -7.643 1.00 0.00 C ATOM 623 O ALA A 43 3.645 8.949 -7.968 1.00 0.00 O ATOM 624 CB ALA A 43 3.468 5.858 -8.697 1.00 0.00 C ATOM 0 H ALA A 43 5.748 5.284 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 43 4.718 7.321 -9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.540 6.376 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.674 5.107 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.370 5.372 -7.726 1.00 0.00 H new ATOM 630 N SER A 44 4.800 7.795 -6.420 1.00 0.00 N ATOM 631 CA SER A 44 4.579 8.777 -5.364 1.00 0.00 C ATOM 632 C SER A 44 5.879 9.489 -5.004 1.00 0.00 C ATOM 633 O SER A 44 5.879 10.676 -4.676 1.00 0.00 O ATOM 634 CB SER A 44 3.995 8.099 -4.123 1.00 0.00 C ATOM 635 OG SER A 44 4.678 6.892 -3.832 1.00 0.00 O ATOM 0 H SER A 44 5.353 6.987 -6.135 1.00 0.00 H new ATOM 0 HA SER A 44 3.869 9.518 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.064 8.774 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.937 7.892 -4.282 1.00 0.00 H new ATOM 0 HG SER A 44 4.505 6.239 -4.542 1.00 0.00 H new ATOM 641 N GLY A 45 6.986 8.757 -5.066 1.00 0.00 N ATOM 642 CA GLY A 45 8.278 9.334 -4.744 1.00 0.00 C ATOM 643 C GLY A 45 8.718 9.016 -3.328 1.00 0.00 C ATOM 644 O GLY A 45 9.874 9.233 -2.968 1.00 0.00 O ATOM 0 H GLY A 45 7.012 7.773 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.024 8.961 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.232 10.415 -4.873 1.00 0.00 H new ATOM 648 N ALA A 46 7.793 8.501 -2.525 1.00 0.00 N ATOM 649 CA ALA A 46 8.093 8.152 -1.141 1.00 0.00 C ATOM 650 C ALA A 46 8.596 6.717 -1.034 1.00 0.00 C ATOM 651 O ALA A 46 8.052 5.808 -1.661 1.00 0.00 O ATOM 652 CB ALA A 46 6.861 8.348 -0.270 1.00 0.00 C ATOM 0 H ALA A 46 6.831 8.316 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 46 8.884 8.814 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.098 8.084 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.546 9.391 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.055 7.710 -0.631 1.00 0.00 H new ATOM 658 N LYS A 47 9.638 6.519 -0.234 1.00 0.00 N ATOM 659 CA LYS A 47 10.216 5.193 -0.043 1.00 0.00 C ATOM 660 C LYS A 47 9.275 4.300 0.758 1.00 0.00 C ATOM 661 O LYS A 47 8.882 4.640 1.875 1.00 0.00 O ATOM 662 CB LYS A 47 11.565 5.301 0.671 1.00 0.00 C ATOM 663 CG LYS A 47 12.676 4.518 -0.006 1.00 0.00 C ATOM 664 CD LYS A 47 12.494 3.021 0.175 1.00 0.00 C ATOM 665 CE LYS A 47 13.227 2.236 -0.903 1.00 0.00 C ATOM 666 NZ LYS A 47 12.605 2.419 -2.243 1.00 0.00 N ATOM 0 H LYS A 47 10.100 7.260 0.293 1.00 0.00 H new ATOM 0 HA LYS A 47 10.366 4.744 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.854 6.351 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.454 4.946 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.695 4.757 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.639 4.821 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.863 2.725 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.432 2.776 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.269 2.555 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.227 1.177 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.866 1.623 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.570 2.455 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.943 3.308 -2.664 1.00 0.00 H new ATOM 680 N ILE A 48 8.917 3.158 0.182 1.00 0.00 N ATOM 681 CA ILE A 48 8.024 2.215 0.844 1.00 0.00 C ATOM 682 C ILE A 48 8.696 0.859 1.029 1.00 0.00 C ATOM 683 O ILE A 48 9.196 0.265 0.074 1.00 0.00 O ATOM 684 CB ILE A 48 6.719 2.024 0.049 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.033 3.373 -0.180 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.789 1.069 0.781 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.516 3.556 -1.590 1.00 0.00 C ATOM 0 H ILE A 48 9.232 2.863 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 48 7.787 2.637 1.821 1.00 0.00 H new ATOM 0 HB ILE A 48 6.962 1.592 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.202 3.472 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.738 4.173 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.871 0.944 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.279 0.102 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.550 1.476 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.042 4.534 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.346 3.489 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.787 2.777 -1.814 1.00 0.00 H new ATOM 699 N THR A 49 8.703 0.372 2.267 1.00 0.00 N ATOM 700 CA THR A 49 9.312 -0.914 2.579 1.00 0.00 C ATOM 701 C THR A 49 8.381 -1.771 3.428 1.00 0.00 C ATOM 702 O THR A 49 7.404 -1.275 3.989 1.00 0.00 O ATOM 703 CB THR A 49 10.649 -0.736 3.323 1.00 0.00 C ATOM 704 OG1 THR A 49 11.378 -1.969 3.324 1.00 0.00 O ATOM 705 CG2 THR A 49 10.415 -0.278 4.755 1.00 0.00 C ATOM 0 H THR A 49 8.293 0.850 3.069 1.00 0.00 H new ATOM 0 HA THR A 49 9.497 -1.415 1.629 1.00 0.00 H new ATOM 0 HB THR A 49 11.229 0.027 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.227 -1.847 3.797 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.374 -0.159 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.887 0.675 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.817 -1.022 5.282 1.00 0.00 H new ATOM 713 N CYS A 50 8.692 -3.060 3.520 1.00 0.00 N ATOM 714 CA CYS A 50 7.882 -3.987 4.302 1.00 0.00 C ATOM 715 C CYS A 50 8.662 -4.513 5.502 1.00 0.00 C ATOM 716 O CYS A 50 9.889 -4.610 5.463 1.00 0.00 O ATOM 717 CB CYS A 50 7.420 -5.155 3.427 1.00 0.00 C ATOM 718 SG CYS A 50 8.769 -6.141 2.738 1.00 0.00 S ATOM 0 H CYS A 50 9.498 -3.486 3.063 1.00 0.00 H new ATOM 0 HA CYS A 50 7.008 -3.448 4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.775 -5.805 4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.815 -4.765 2.609 1.00 0.00 H new ATOM 0 HG CYS A 50 8.278 -7.104 2.016 1.00 0.00 H new ATOM 858 N LEU A 60 0.491 -13.442 10.744 1.00 0.00 N ATOM 859 CA LEU A 60 -0.848 -12.871 10.848 1.00 0.00 C ATOM 860 C LEU A 60 -1.035 -11.736 9.846 1.00 0.00 C ATOM 861 O LEU A 60 -1.777 -11.871 8.872 1.00 0.00 O ATOM 862 CB LEU A 60 -1.097 -12.360 12.268 1.00 0.00 C ATOM 863 CG LEU A 60 -1.033 -13.407 13.380 1.00 0.00 C ATOM 864 CD1 LEU A 60 0.020 -13.028 14.409 1.00 0.00 C ATOM 865 CD2 LEU A 60 -2.394 -13.568 14.040 1.00 0.00 C ATOM 0 HA LEU A 60 -1.570 -13.655 10.619 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.365 -11.582 12.486 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.080 -11.889 12.296 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.752 -14.363 12.938 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.051 -13.785 15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.995 -12.965 13.926 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.231 -12.062 14.847 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.329 -14.317 14.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.705 -12.615 14.469 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.124 -13.887 13.296 1.00 0.00 H new ATOM 877 N SER A 61 -0.357 -10.619 10.091 1.00 0.00 N ATOM 878 CA SER A 61 -0.450 -9.461 9.211 1.00 0.00 C ATOM 879 C SER A 61 0.926 -8.848 8.971 1.00 0.00 C ATOM 880 O SER A 61 1.878 -9.129 9.701 1.00 0.00 O ATOM 881 CB SER A 61 -1.389 -8.412 9.810 1.00 0.00 C ATOM 882 OG SER A 61 -1.102 -8.195 11.181 1.00 0.00 O ATOM 0 H SER A 61 0.262 -10.492 10.891 1.00 0.00 H new ATOM 0 HA SER A 61 -0.852 -9.795 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.290 -7.475 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.423 -8.739 9.699 1.00 0.00 H new ATOM 0 HG SER A 61 -1.714 -7.519 11.540 1.00 0.00 H new ATOM 888 N ARG A 62 1.024 -8.010 7.945 1.00 0.00 N ATOM 889 CA ARG A 62 2.284 -7.358 7.608 1.00 0.00 C ATOM 890 C ARG A 62 2.231 -5.870 7.939 1.00 0.00 C ATOM 891 O ARG A 62 1.170 -5.329 8.255 1.00 0.00 O ATOM 892 CB ARG A 62 2.600 -7.550 6.124 1.00 0.00 C ATOM 893 CG ARG A 62 3.346 -8.840 5.822 1.00 0.00 C ATOM 894 CD ARG A 62 4.847 -8.608 5.738 1.00 0.00 C ATOM 895 NE ARG A 62 5.402 -9.072 4.469 1.00 0.00 N ATOM 896 CZ ARG A 62 6.693 -9.010 4.165 1.00 0.00 C ATOM 897 NH1 ARG A 62 7.559 -8.505 5.034 1.00 0.00 N ATOM 898 NH2 ARG A 62 7.122 -9.453 2.990 1.00 0.00 N ATOM 0 H ARG A 62 0.246 -7.766 7.332 1.00 0.00 H new ATOM 0 HA ARG A 62 3.073 -7.817 8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.668 -7.538 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.195 -6.706 5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.133 -9.575 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.988 -9.257 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.057 -7.545 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.341 -9.126 6.561 1.00 0.00 H new ATOM 0 HE ARG A 62 4.763 -9.465 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.234 -8.163 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.550 -8.459 4.798 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.460 -9.842 2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.114 -9.405 2.758 1.00 0.00 H new ATOM 912 N LEU A 63 3.383 -5.212 7.866 1.00 0.00 N ATOM 913 CA LEU A 63 3.470 -3.785 8.158 1.00 0.00 C ATOM 914 C LEU A 63 4.380 -3.078 7.159 1.00 0.00 C ATOM 915 O LEU A 63 5.506 -3.515 6.914 1.00 0.00 O ATOM 916 CB LEU A 63 3.987 -3.566 9.581 1.00 0.00 C ATOM 917 CG LEU A 63 4.057 -2.114 10.055 1.00 0.00 C ATOM 918 CD1 LEU A 63 2.688 -1.456 9.958 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.586 -2.043 11.479 1.00 0.00 C ATOM 0 H LEU A 63 4.270 -5.644 7.607 1.00 0.00 H new ATOM 0 HA LEU A 63 2.470 -3.361 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.347 -4.121 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.984 -3.999 9.654 1.00 0.00 H new ATOM 0 HG LEU A 63 4.745 -1.572 9.407 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.756 -0.423 10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.348 -1.475 8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.978 -1.999 10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.629 -1.002 11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.923 -2.600 12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.585 -2.476 11.518 1.00 0.00 H new ATOM 931 N ILE A 64 3.887 -1.985 6.587 1.00 0.00 N ATOM 932 CA ILE A 64 4.657 -1.217 5.618 1.00 0.00 C ATOM 933 C ILE A 64 5.250 0.035 6.255 1.00 0.00 C ATOM 934 O ILE A 64 4.760 0.518 7.276 1.00 0.00 O ATOM 935 CB ILE A 64 3.794 -0.806 4.411 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.384 -2.040 3.605 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.548 0.181 3.531 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.517 -2.643 2.805 1.00 0.00 C ATOM 0 H ILE A 64 2.957 -1.612 6.778 1.00 0.00 H new ATOM 0 HA ILE A 64 5.464 -1.863 5.273 1.00 0.00 H new ATOM 0 HB ILE A 64 2.891 -0.319 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.989 -2.794 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.575 -1.769 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.924 0.462 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.794 1.071 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.466 -0.282 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.154 -3.514 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.897 -1.905 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.318 -2.946 3.480 1.00 0.00 H new ATOM 950 N LYS A 65 6.308 0.559 5.644 1.00 0.00 N ATOM 951 CA LYS A 65 6.968 1.757 6.149 1.00 0.00 C ATOM 952 C LYS A 65 7.134 2.793 5.042 1.00 0.00 C ATOM 953 O LYS A 65 7.864 2.571 4.076 1.00 0.00 O ATOM 954 CB LYS A 65 8.334 1.402 6.740 1.00 0.00 C ATOM 955 CG LYS A 65 8.323 1.249 8.251 1.00 0.00 C ATOM 956 CD LYS A 65 9.605 0.610 8.756 1.00 0.00 C ATOM 957 CE LYS A 65 10.772 1.585 8.705 1.00 0.00 C ATOM 958 NZ LYS A 65 11.357 1.820 10.054 1.00 0.00 N ATOM 0 H LYS A 65 6.727 0.172 4.798 1.00 0.00 H new ATOM 0 HA LYS A 65 6.341 2.184 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.684 0.472 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.051 2.177 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.195 2.227 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.470 0.640 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.462 0.265 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.837 -0.268 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.541 1.196 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.435 2.533 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.378 2.841 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.777 1.341 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.325 1.442 10.083 1.00 0.00 H new ATOM 972 N ILE A 66 6.454 3.925 5.190 1.00 0.00 N ATOM 973 CA ILE A 66 6.530 4.996 4.204 1.00 0.00 C ATOM 974 C ILE A 66 7.407 6.141 4.701 1.00 0.00 C ATOM 975 O ILE A 66 7.293 6.569 5.849 1.00 0.00 O ATOM 976 CB ILE A 66 5.133 5.546 3.861 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.165 4.396 3.576 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.212 6.488 2.669 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.851 4.514 4.318 1.00 0.00 C ATOM 0 H ILE A 66 5.844 4.124 5.983 1.00 0.00 H new ATOM 0 HA ILE A 66 6.973 4.566 3.306 1.00 0.00 H new ATOM 0 HB ILE A 66 4.759 6.107 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.966 4.356 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.643 3.454 3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.217 6.868 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.873 7.322 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.603 5.950 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.215 3.665 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.039 4.523 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.352 5.439 4.029 1.00 0.00 H new ATOM 991 N SER A 67 8.280 6.631 3.828 1.00 0.00 N ATOM 992 CA SER A 67 9.178 7.726 4.179 1.00 0.00 C ATOM 993 C SER A 67 9.377 8.665 2.994 1.00 0.00 C ATOM 994 O SER A 67 9.470 8.228 1.848 1.00 0.00 O ATOM 995 CB SER A 67 10.529 7.176 4.641 1.00 0.00 C ATOM 996 OG SER A 67 10.961 6.115 3.807 1.00 0.00 O ATOM 0 H SER A 67 8.385 6.288 2.873 1.00 0.00 H new ATOM 0 HA SER A 67 8.724 8.289 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.272 7.974 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.449 6.825 5.670 1.00 0.00 H new ATOM 0 HG SER A 67 11.827 5.782 4.123 1.00 0.00 H new ATOM 1002 N GLY A 68 9.443 9.962 3.280 1.00 0.00 N ATOM 1003 CA GLY A 68 9.631 10.946 2.229 1.00 0.00 C ATOM 1004 C GLY A 68 9.039 12.295 2.586 1.00 0.00 C ATOM 1005 O GLY A 68 8.787 12.582 3.756 1.00 0.00 O ATOM 0 H GLY A 68 9.370 10.349 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.696 11.061 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.172 10.583 1.309 1.00 0.00 H new ATOM 1009 N THR A 69 8.820 13.129 1.574 1.00 0.00 N ATOM 1010 CA THR A 69 8.258 14.457 1.785 1.00 0.00 C ATOM 1011 C THR A 69 6.746 14.390 1.972 1.00 0.00 C ATOM 1012 O THR A 69 6.067 13.594 1.326 1.00 0.00 O ATOM 1013 CB THR A 69 8.578 15.398 0.608 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.119 14.819 -0.619 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.072 15.665 0.521 1.00 0.00 C ATOM 0 H THR A 69 9.024 12.908 0.599 1.00 0.00 H new ATOM 0 HA THR A 69 8.717 14.854 2.691 1.00 0.00 H new ATOM 0 HB THR A 69 8.065 16.345 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.324 15.423 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.274 16.332 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.413 16.131 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.602 14.724 0.372 1.00 0.00 H new ATOM 1023 N GLN A 70 6.226 15.233 2.859 1.00 0.00 N ATOM 1024 CA GLN A 70 4.794 15.269 3.129 1.00 0.00 C ATOM 1025 C GLN A 70 3.993 15.013 1.857 1.00 0.00 C ATOM 1026 O GLN A 70 2.899 14.449 1.902 1.00 0.00 O ATOM 1027 CB GLN A 70 4.401 16.621 3.729 1.00 0.00 C ATOM 1028 CG GLN A 70 3.120 16.573 4.547 1.00 0.00 C ATOM 1029 CD GLN A 70 3.339 16.025 5.943 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.105 16.583 6.729 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.665 14.926 6.260 1.00 0.00 N ATOM 0 H GLN A 70 6.775 15.899 3.402 1.00 0.00 H new ATOM 0 HA GLN A 70 4.565 14.480 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.213 16.979 4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.281 17.346 2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.700 17.576 4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.386 15.955 4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.040 14.496 5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.772 14.512 7.186 1.00 0.00 H new ATOM 1040 N LYS A 71 4.544 15.430 0.723 1.00 0.00 N ATOM 1041 CA LYS A 71 3.883 15.246 -0.564 1.00 0.00 C ATOM 1042 C LYS A 71 3.809 13.767 -0.930 1.00 0.00 C ATOM 1043 O LYS A 71 2.755 13.267 -1.320 1.00 0.00 O ATOM 1044 CB LYS A 71 4.625 16.017 -1.658 1.00 0.00 C ATOM 1045 CG LYS A 71 4.346 17.509 -1.647 1.00 0.00 C ATOM 1046 CD LYS A 71 2.859 17.799 -1.764 1.00 0.00 C ATOM 1047 CE LYS A 71 2.601 19.257 -2.113 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.484 19.405 -3.086 1.00 0.00 N ATOM 0 H LYS A 71 5.448 15.899 0.668 1.00 0.00 H new ATOM 0 HA LYS A 71 2.868 15.634 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.697 15.856 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.345 15.611 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.731 17.945 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.877 17.985 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.421 17.158 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.365 17.556 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.367 19.812 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.507 19.696 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.340 20.413 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.718 18.897 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.613 19.009 -2.678 1.00 0.00 H new ATOM 1062 N GLU A 72 4.936 13.073 -0.801 1.00 0.00 N ATOM 1063 CA GLU A 72 4.997 11.651 -1.117 1.00 0.00 C ATOM 1064 C GLU A 72 4.332 10.820 -0.025 1.00 0.00 C ATOM 1065 O GLU A 72 3.277 10.223 -0.238 1.00 0.00 O ATOM 1066 CB GLU A 72 6.450 11.208 -1.298 1.00 0.00 C ATOM 1067 CG GLU A 72 7.283 12.172 -2.125 1.00 0.00 C ATOM 1068 CD GLU A 72 8.773 11.929 -1.980 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.220 11.638 -0.851 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.491 12.031 -2.995 1.00 0.00 O ATOM 0 H GLU A 72 5.818 13.472 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 72 4.457 11.490 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.911 11.093 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.465 10.228 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.004 12.079 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.054 13.194 -1.824 1.00 0.00 H new ATOM 1077 N VAL A 73 4.957 10.788 1.149 1.00 0.00 N ATOM 1078 CA VAL A 73 4.427 10.032 2.277 1.00 0.00 C ATOM 1079 C VAL A 73 2.902 10.052 2.284 1.00 0.00 C ATOM 1080 O VAL A 73 2.260 9.085 2.694 1.00 0.00 O ATOM 1081 CB VAL A 73 4.942 10.588 3.617 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.418 9.757 4.779 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.463 10.632 3.626 1.00 0.00 C ATOM 0 H VAL A 73 5.831 11.277 1.343 1.00 0.00 H new ATOM 0 HA VAL A 73 4.774 9.005 2.161 1.00 0.00 H new ATOM 0 HB VAL A 73 4.570 11.606 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.793 10.166 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.328 9.782 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.757 8.727 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.810 11.028 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.857 9.625 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.813 11.275 2.818 1.00 0.00 H new ATOM 1093 N ALA A 74 2.329 11.160 1.827 1.00 0.00 N ATOM 1094 CA ALA A 74 0.879 11.305 1.778 1.00 0.00 C ATOM 1095 C ALA A 74 0.308 10.694 0.502 1.00 0.00 C ATOM 1096 O ALA A 74 -0.710 10.003 0.534 1.00 0.00 O ATOM 1097 CB ALA A 74 0.491 12.773 1.881 1.00 0.00 C ATOM 0 H ALA A 74 2.846 11.970 1.485 1.00 0.00 H new ATOM 0 HA ALA A 74 0.457 10.768 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.594 12.866 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.857 13.181 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.932 13.325 1.051 1.00 0.00 H new ATOM 1103 N ALA A 75 0.971 10.953 -0.621 1.00 0.00 N ATOM 1104 CA ALA A 75 0.532 10.428 -1.907 1.00 0.00 C ATOM 1105 C ALA A 75 0.711 8.915 -1.973 1.00 0.00 C ATOM 1106 O ALA A 75 -0.232 8.180 -2.260 1.00 0.00 O ATOM 1107 CB ALA A 75 1.291 11.101 -3.041 1.00 0.00 C ATOM 0 H ALA A 75 1.815 11.524 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.530 10.647 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.952 10.698 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.107 12.175 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.358 10.913 -2.926 1.00 0.00 H new ATOM 1113 N ALA A 76 1.930 8.457 -1.706 1.00 0.00 N ATOM 1114 CA ALA A 76 2.233 7.031 -1.733 1.00 0.00 C ATOM 1115 C ALA A 76 1.252 6.244 -0.872 1.00 0.00 C ATOM 1116 O ALA A 76 0.756 5.193 -1.280 1.00 0.00 O ATOM 1117 CB ALA A 76 3.661 6.787 -1.267 1.00 0.00 C ATOM 0 H ALA A 76 2.723 9.053 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 76 2.133 6.683 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.874 5.718 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.353 7.311 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.780 7.157 -0.249 1.00 0.00 H new ATOM 1123 N LYS A 77 0.973 6.759 0.321 1.00 0.00 N ATOM 1124 CA LYS A 77 0.050 6.105 1.240 1.00 0.00 C ATOM 1125 C LYS A 77 -1.257 5.748 0.538 1.00 0.00 C ATOM 1126 O LYS A 77 -1.808 4.667 0.743 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.235 7.011 2.440 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.664 6.255 3.685 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.247 7.189 4.732 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.220 7.543 5.797 1.00 0.00 C ATOM 1131 NZ LYS A 77 0.110 8.995 5.790 1.00 0.00 N ATOM 0 H LYS A 77 1.374 7.628 0.674 1.00 0.00 H new ATOM 0 HA LYS A 77 0.517 5.184 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.660 7.591 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.016 7.722 2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.404 5.501 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.192 5.727 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.603 8.100 4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.111 6.718 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.603 7.263 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.688 6.964 5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.054 9.134 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.595 9.509 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.102 9.357 6.765 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.745 6.663 -0.294 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.986 6.445 -1.028 1.00 0.00 C ATOM 1147 C HIS A 78 -2.813 5.341 -2.068 1.00 0.00 C ATOM 1148 O HIS A 78 -3.697 4.501 -2.250 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.435 7.737 -1.710 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.844 7.688 -2.217 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.933 8.039 -1.447 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.338 7.329 -3.425 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -7.036 7.896 -2.159 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.702 7.467 -3.363 1.00 0.00 N ATOM 0 H HIS A 78 -1.300 7.562 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.751 6.135 -0.316 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.340 8.563 -1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.765 7.950 -2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.766 6.996 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.040 8.096 -1.815 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.353 7.270 -4.123 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.673 5.349 -2.749 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.384 4.349 -3.771 1.00 0.00 C ATOM 1164 C LEU A 79 -1.182 2.972 -3.145 1.00 0.00 C ATOM 1165 O LEU A 79 -1.464 1.949 -3.769 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.140 4.748 -4.566 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.159 6.145 -5.187 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.179 6.458 -5.838 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.288 6.263 -6.200 1.00 0.00 C ATOM 0 H LEU A 79 -0.933 6.037 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.238 4.299 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.726 4.677 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.006 4.020 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.332 6.872 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.147 7.456 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.968 6.416 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.383 5.727 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.286 7.264 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.146 5.526 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.242 6.083 -5.704 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.695 2.956 -1.909 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.459 1.705 -1.198 1.00 0.00 C ATOM 1183 C ILE A 80 -1.770 0.978 -0.915 1.00 0.00 C ATOM 1184 O ILE A 80 -1.888 -0.225 -1.149 1.00 0.00 O ATOM 1185 CB ILE A 80 0.279 1.944 0.131 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.737 2.330 -0.131 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.204 0.705 1.010 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.334 3.207 0.947 1.00 0.00 C ATOM 0 H ILE A 80 -0.456 3.794 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 80 0.164 1.087 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.207 2.767 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.334 1.422 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.800 2.850 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.731 0.891 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.840 0.471 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.667 -0.136 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.368 3.441 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.761 4.131 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.303 2.682 1.902 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.753 1.717 -0.412 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.057 1.144 -0.099 1.00 0.00 C ATOM 1202 C LEU A 81 -4.795 0.741 -1.372 1.00 0.00 C ATOM 1203 O LEU A 81 -5.543 -0.235 -1.383 1.00 0.00 O ATOM 1204 CB LEU A 81 -4.898 2.143 0.697 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.425 2.433 2.123 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.814 3.843 2.538 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.002 1.412 3.092 1.00 0.00 C ATOM 0 H LEU A 81 -2.672 2.714 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.898 0.251 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.926 3.083 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.921 1.770 0.744 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.338 2.356 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.469 4.031 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.354 4.562 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.898 3.948 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.656 1.633 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.091 1.458 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.674 0.413 2.806 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.578 1.499 -2.441 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.221 1.219 -3.719 1.00 0.00 C ATOM 1221 C GLU A 82 -5.167 -0.271 -4.041 1.00 0.00 C ATOM 1222 O GLU A 82 -6.094 -0.825 -4.632 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.552 2.019 -4.839 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.044 3.453 -4.943 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.767 3.728 -6.247 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -6.877 3.188 -6.435 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.223 4.483 -7.079 1.00 0.00 O ATOM 0 H GLU A 82 -3.962 2.312 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.266 1.519 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.474 2.025 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.728 1.514 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.713 3.665 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.196 4.132 -4.852 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.073 -0.915 -3.648 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.896 -2.342 -3.894 1.00 0.00 C ATOM 1236 C LYS A 83 -4.658 -3.170 -2.864 1.00 0.00 C ATOM 1237 O LYS A 83 -5.216 -4.219 -3.185 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.410 -2.705 -3.857 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.676 -2.399 -5.151 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.429 -0.909 -5.314 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.988 -0.568 -6.729 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.149 -0.359 -7.637 1.00 0.00 N ATOM 0 H LYS A 83 -3.296 -0.472 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.295 -2.568 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.932 -2.162 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.310 -3.767 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.724 -2.930 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.258 -2.767 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.339 -0.360 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.665 -0.586 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.374 0.333 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.363 -1.372 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.806 -0.129 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.721 -1.227 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.732 0.425 -7.280 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.679 -2.691 -1.624 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.375 -3.386 -0.548 1.00 0.00 C ATOM 1258 C VAL A 84 -6.857 -3.549 -0.867 1.00 0.00 C ATOM 1259 O VAL A 84 -7.453 -4.587 -0.582 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.230 -2.636 0.790 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.039 -3.325 1.879 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.764 -2.536 1.187 1.00 0.00 C ATOM 0 H VAL A 84 -4.222 -1.824 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.915 -4.370 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.620 -1.626 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.924 -2.781 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.091 -3.341 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.682 -4.347 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.679 -2.003 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.347 -3.537 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.214 -1.995 0.416 1.00 0.00 H new ATOM 1272 N SER A 85 -7.446 -2.516 -1.461 1.00 0.00 N ATOM 1273 CA SER A 85 -8.860 -2.543 -1.817 1.00 0.00 C ATOM 1274 C SER A 85 -9.105 -3.477 -2.999 1.00 0.00 C ATOM 1275 O SER A 85 -10.180 -4.062 -3.128 1.00 0.00 O ATOM 1276 CB SER A 85 -9.349 -1.133 -2.156 1.00 0.00 C ATOM 1277 OG SER A 85 -9.920 -0.506 -1.021 1.00 0.00 O ATOM 0 H SER A 85 -6.966 -1.650 -1.706 1.00 0.00 H new ATOM 0 HA SER A 85 -9.419 -2.917 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.516 -0.535 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.086 -1.183 -2.957 1.00 0.00 H new ATOM 0 HG SER A 85 -10.223 0.394 -1.262 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.099 -3.610 -3.857 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.206 -4.471 -5.029 1.00 0.00 C ATOM 1285 C GLU A 86 -8.478 -5.916 -4.620 1.00 0.00 C ATOM 1286 O GLU A 86 -9.522 -6.478 -4.947 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.924 -4.398 -5.862 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.966 -3.344 -6.955 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.038 -3.664 -8.110 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -4.872 -4.028 -7.851 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -6.478 -3.549 -9.273 1.00 0.00 O ATOM 0 H GLU A 86 -7.202 -3.134 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.043 -4.118 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.083 -4.190 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.740 -5.372 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.986 -3.253 -7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.694 -2.377 -6.532 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.530 -6.510 -3.903 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.668 -7.889 -3.447 1.00 0.00 C ATOM 1300 C ASP A 87 -8.881 -8.041 -2.535 1.00 0.00 C ATOM 1301 O ASP A 87 -9.573 -9.058 -2.574 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.402 -8.332 -2.712 1.00 0.00 C ATOM 1303 CG ASP A 87 -6.200 -9.834 -2.763 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -7.067 -10.568 -2.242 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -5.176 -10.276 -3.324 1.00 0.00 O ATOM 0 H ASP A 87 -6.658 -6.059 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.813 -8.524 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.537 -7.837 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.458 -8.011 -1.672 1.00 0.00 H new ATOM 1310 N GLU A 88 -9.131 -7.026 -1.715 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.260 -7.049 -0.793 1.00 0.00 C ATOM 1312 C GLU A 88 -11.537 -7.484 -1.507 1.00 0.00 C ATOM 1313 O GLU A 88 -12.297 -8.305 -0.994 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.460 -5.670 -0.161 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.780 -5.524 0.578 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.598 -5.371 2.074 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.537 -4.861 2.494 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.514 -5.760 2.828 1.00 0.00 O ATOM 0 H GLU A 88 -8.567 -6.177 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.039 -7.772 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.642 -5.475 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.404 -4.911 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.315 -4.657 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.402 -6.397 0.379 1.00 0.00 H new