USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1196 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: B 13 SER OG : rot -61:sc= 1.21 USER MOD Set 1.2: B 22 THR OG1 : rot 180:sc= 0.996 USER MOD Set 2.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 19 GLN :FLIP amide:sc= -0.128 F(o=-1.7,f=-0.13) USER MOD Set 3.1: B 17 TYR OH : rot 44:sc= 0.832 USER MOD Set 3.2: B 47 SER OG : rot 60:sc= 1.97 USER MOD Set 4.1: A 17 TYR OH : rot 36:sc= 0.31 USER MOD Set 4.2: A 47 SER OG : rot 54:sc= 0.542 USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0.96 USER MOD Set 5.2: A 22 THR OG1 : rot -75:sc= 1.11 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.041 F(o=-1.4!,f=-0.041) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 28:sc= 1.13 USER MOD Single : A 31 HIS : no HD1:sc= -1.41! C(o=-1.4!,f=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.472) USER MOD Single : A 43 MET CE :methyl 170:sc= -0.263 (180deg=-0.386) USER MOD Single : A 44 HIS : no HD1:sc= -1.41! C(o=-1.4!,f=-8.6!) USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -0.18 (180deg=-1.31!) USER MOD Single : A 50 GLN : amide:sc= -0.0838 K(o=-0.084,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0156) USER MOD Single : A 62 THR OG1 : rot 49:sc= 0.406 USER MOD Single : A 65 GLN : amide:sc= -0.842 K(o=-0.84,f=-5.5!) USER MOD Single : A 68 SER OG : rot 44:sc= 0.76 USER MOD Single : A 70 TYR OH : rot 150:sc= 0.251 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -2.34! (180deg=-3.09!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0.718 USER MOD Single : A 78 GLN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= -0.187 USER MOD Single : B 28 SER OG : rot 76:sc= 0.906 USER MOD Single : B 31 HIS : no HE2:sc= 0.964 K(o=0.96,f=-5.9!) USER MOD Single : B 42 LYS NZ :NH3+ -151:sc= 1.29 (180deg=1.18) USER MOD Single : B 43 MET CE :methyl 155:sc= -0.145 (180deg=-0.746) USER MOD Single : B 44 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.15) USER MOD Single : B 49 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.15) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 52 MET CE :methyl 161:sc= -0.102 (180deg=-0.694) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 72:sc= 0.697 USER MOD Single : B 65 GLN : amide:sc= -1.18 K(o=-1.2,f=-4!) USER MOD Single : B 68 SER OG : rot -84:sc= 1.2 USER MOD Single : B 70 TYR OH : rot 30:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -111:sc= 2.08 (180deg=-0.625) USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 GLN :FLIP amide:sc= -0.122 F(o=-1.2!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 18.117 4.017 -4.443 1.00 0.30 N ATOM 139 CA THR A 10 18.874 2.884 -3.943 1.00 0.36 C ATOM 140 C THR A 10 17.950 1.727 -3.561 1.00 0.30 C ATOM 141 O THR A 10 16.761 1.925 -3.306 1.00 0.27 O ATOM 142 CB THR A 10 19.744 3.296 -2.729 1.00 0.49 C ATOM 143 OG1 THR A 10 20.693 2.266 -2.416 1.00 0.62 O ATOM 144 CG2 THR A 10 18.890 3.585 -1.502 1.00 0.60 C ATOM 0 HA THR A 10 19.531 2.547 -4.745 1.00 0.36 H new ATOM 0 HB THR A 10 20.274 4.208 -3.005 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.235 2.543 -1.648 1.00 0.62 H new ATOM 0 HG21 THR A 10 19.533 3.871 -0.670 1.00 0.60 H new ATOM 0 HG22 THR A 10 18.199 4.399 -1.723 1.00 0.60 H new ATOM 0 HG23 THR A 10 18.325 2.692 -1.234 1.00 0.60 H new ATOM 152 N ARG A 11 18.501 0.522 -3.550 1.00 0.30 N ATOM 153 CA ARG A 11 17.744 -0.665 -3.185 1.00 0.26 C ATOM 154 C ARG A 11 18.082 -1.060 -1.756 1.00 0.21 C ATOM 155 O ARG A 11 19.209 -0.854 -1.303 1.00 0.22 O ATOM 156 CB ARG A 11 18.026 -1.827 -4.146 1.00 0.32 C ATOM 157 CG ARG A 11 19.504 -2.108 -4.377 1.00 0.40 C ATOM 158 CD ARG A 11 19.710 -3.426 -5.102 1.00 0.55 C ATOM 159 NE ARG A 11 21.026 -3.500 -5.733 1.00 0.68 N ATOM 160 CZ ARG A 11 21.676 -4.639 -5.973 1.00 1.07 C ATOM 161 NH1 ARG A 11 21.158 -5.800 -5.589 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 22.847 -4.618 -6.596 1.00 1.17 N ATOM 0 H ARG A 11 19.475 0.341 -3.791 1.00 0.30 H new ATOM 0 HA ARG A 11 16.681 -0.434 -3.256 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.554 -2.728 -3.755 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.555 -1.611 -5.105 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.943 -1.298 -4.959 1.00 0.40 H new ATOM 0 HG3 ARG A 11 20.025 -2.132 -3.420 1.00 0.40 H new ATOM 0 HD2 ARG A 11 19.598 -4.250 -4.397 1.00 0.55 H new ATOM 0 HD3 ARG A 11 18.936 -3.548 -5.860 1.00 0.55 H new ATOM 0 HE ARG A 11 21.475 -2.626 -6.007 1.00 0.68 H new ATOM 0 HH11 ARG A 11 20.259 -5.823 -5.108 1.00 1.36 H new ATOM 0 HH12 ARG A 11 21.659 -6.669 -5.775 1.00 1.36 H new ATOM 0 HH21 ARG A 11 23.251 -3.730 -6.892 1.00 1.17 H new ATOM 0 HH22 ARG A 11 23.343 -5.490 -6.779 1.00 1.17 H new ATOM 176 N VAL A 12 17.111 -1.616 -1.047 1.00 0.16 N ATOM 177 CA VAL A 12 17.312 -2.010 0.338 1.00 0.12 C ATOM 178 C VAL A 12 16.639 -3.350 0.640 1.00 0.14 C ATOM 179 O VAL A 12 15.558 -3.651 0.128 1.00 0.18 O ATOM 180 CB VAL A 12 16.773 -0.922 1.303 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.269 -0.740 1.141 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.127 -1.248 2.748 1.00 0.12 C ATOM 0 H VAL A 12 16.176 -1.804 -1.409 1.00 0.16 H new ATOM 0 HA VAL A 12 18.385 -2.122 0.492 1.00 0.12 H new ATOM 0 HB VAL A 12 17.255 0.020 1.042 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.919 0.029 1.830 1.00 0.08 H new ATOM 0 HG12 VAL A 12 15.047 -0.438 0.117 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.763 -1.680 1.360 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.737 -0.469 3.403 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.687 -2.207 3.023 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.210 -1.302 2.854 1.00 0.12 H new ATOM 192 N SER A 13 17.303 -4.159 1.450 1.00 0.14 N ATOM 193 CA SER A 13 16.774 -5.449 1.849 1.00 0.17 C ATOM 194 C SER A 13 16.196 -5.344 3.258 1.00 0.12 C ATOM 195 O SER A 13 16.925 -5.081 4.217 1.00 0.15 O ATOM 196 CB SER A 13 17.874 -6.511 1.794 1.00 0.25 C ATOM 197 OG SER A 13 18.561 -6.461 0.551 1.00 0.56 O ATOM 0 H SER A 13 18.217 -3.940 1.846 1.00 0.14 H new ATOM 0 HA SER A 13 15.982 -5.746 1.162 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.579 -6.354 2.611 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.438 -7.500 1.934 1.00 0.25 H new ATOM 0 HG SER A 13 19.261 -7.147 0.536 1.00 0.56 H new ATOM 203 N VAL A 14 14.888 -5.529 3.376 1.00 0.06 N ATOM 204 CA VAL A 14 14.213 -5.436 4.667 1.00 0.08 C ATOM 205 C VAL A 14 13.592 -6.773 5.049 1.00 0.08 C ATOM 206 O VAL A 14 13.420 -7.640 4.200 1.00 0.12 O ATOM 207 CB VAL A 14 13.115 -4.349 4.667 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.733 -2.961 4.582 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.127 -4.566 3.528 1.00 0.09 C ATOM 0 H VAL A 14 14.271 -5.745 2.593 1.00 0.06 H new ATOM 0 HA VAL A 14 14.972 -5.161 5.400 1.00 0.08 H new ATOM 0 HB VAL A 14 12.568 -4.426 5.606 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.943 -2.210 4.583 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.387 -2.801 5.439 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.312 -2.876 3.663 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.366 -3.786 3.553 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.655 -4.527 2.575 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.652 -5.541 3.639 1.00 0.09 H new ATOM 219 N ARG A 15 13.256 -6.938 6.320 1.00 0.05 N ATOM 220 CA ARG A 15 12.663 -8.182 6.794 1.00 0.05 C ATOM 221 C ARG A 15 11.187 -7.994 7.132 1.00 0.04 C ATOM 222 O ARG A 15 10.832 -7.131 7.939 1.00 0.07 O ATOM 223 CB ARG A 15 13.415 -8.690 8.024 1.00 0.06 C ATOM 224 CG ARG A 15 13.272 -10.186 8.254 1.00 0.06 C ATOM 225 CD ARG A 15 13.619 -10.564 9.684 1.00 0.11 C ATOM 226 NE ARG A 15 14.843 -9.918 10.143 1.00 0.16 N ATOM 227 CZ ARG A 15 15.544 -10.316 11.199 1.00 0.20 C ATOM 228 NH1 ARG A 15 15.154 -11.368 11.903 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 16.636 -9.658 11.551 1.00 0.26 N ATOM 0 H ARG A 15 13.383 -6.228 7.041 1.00 0.05 H new ATOM 0 HA ARG A 15 12.741 -8.918 5.994 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.472 -8.447 7.918 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.053 -8.160 8.905 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.250 -10.493 8.033 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.923 -10.725 7.566 1.00 0.06 H new ATOM 0 HD2 ARG A 15 12.795 -10.286 10.341 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.733 -11.646 9.755 1.00 0.11 H new ATOM 0 HE ARG A 15 15.182 -9.110 9.621 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.312 -11.877 11.635 1.00 0.20 H new ATOM 0 HH12 ARG A 15 15.696 -11.669 12.713 1.00 0.20 H new ATOM 0 HH21 ARG A 15 16.939 -8.847 11.012 1.00 0.26 H new ATOM 0 HH22 ARG A 15 17.176 -9.962 12.361 1.00 0.26 H new ATOM 243 N ILE A 16 10.333 -8.807 6.515 1.00 0.03 N ATOM 244 CA ILE A 16 8.894 -8.738 6.742 1.00 0.04 C ATOM 245 C ILE A 16 8.314 -10.141 6.889 1.00 0.04 C ATOM 246 O ILE A 16 8.508 -10.994 6.019 1.00 0.04 O ATOM 247 CB ILE A 16 8.172 -8.011 5.584 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.726 -6.596 5.414 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.668 -7.968 5.832 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.418 -5.982 4.069 1.00 0.07 C ATOM 0 H ILE A 16 10.617 -9.526 5.849 1.00 0.03 H new ATOM 0 HA ILE A 16 8.735 -8.173 7.661 1.00 0.04 H new ATOM 0 HB ILE A 16 8.353 -8.567 4.664 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.316 -5.958 6.197 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.807 -6.619 5.554 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.178 -7.452 5.006 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.282 -8.985 5.905 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.468 -7.436 6.762 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.842 -4.979 4.021 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.851 -6.597 3.280 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.338 -5.926 3.933 1.00 0.07 H new ATOM 262 N TYR A 17 7.618 -10.372 8.000 1.00 0.08 N ATOM 263 CA TYR A 17 6.998 -11.664 8.285 1.00 0.11 C ATOM 264 C TYR A 17 8.030 -12.795 8.277 1.00 0.19 C ATOM 265 O TYR A 17 7.719 -13.931 7.910 1.00 0.56 O ATOM 266 CB TYR A 17 5.876 -11.959 7.283 1.00 0.04 C ATOM 267 CG TYR A 17 4.607 -12.467 7.935 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.843 -11.638 8.747 1.00 0.08 C ATOM 269 CD2 TYR A 17 4.179 -13.778 7.748 1.00 0.18 C ATOM 270 CE1 TYR A 17 2.689 -12.098 9.352 1.00 0.12 C ATOM 271 CE2 TYR A 17 3.027 -14.244 8.354 1.00 0.23 C ATOM 272 CZ TYR A 17 2.286 -13.401 9.153 1.00 0.20 C ATOM 273 OH TYR A 17 1.143 -13.866 9.767 1.00 0.25 O ATOM 0 H TYR A 17 7.468 -9.671 8.726 1.00 0.08 H new ATOM 0 HA TYR A 17 6.569 -11.609 9.285 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.650 -11.051 6.724 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.227 -12.698 6.563 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.156 -10.617 8.908 1.00 0.08 H new ATOM 0 HD2 TYR A 17 4.755 -14.441 7.120 1.00 0.18 H new ATOM 0 HE1 TYR A 17 2.105 -11.439 9.978 1.00 0.12 H new ATOM 0 HE2 TYR A 17 2.709 -15.265 8.202 1.00 0.23 H new ATOM 0 HH TYR A 17 0.475 -13.150 9.799 1.00 0.25 H new ATOM 283 N GLY A 18 9.257 -12.476 8.678 1.00 0.18 N ATOM 284 CA GLY A 18 10.307 -13.477 8.734 1.00 0.13 C ATOM 285 C GLY A 18 11.254 -13.436 7.550 1.00 0.05 C ATOM 286 O GLY A 18 12.474 -13.435 7.723 1.00 0.11 O ATOM 0 H GLY A 18 9.543 -11.540 8.966 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.880 -13.338 9.651 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.851 -14.466 8.789 1.00 0.13 H new ATOM 290 N GLN A 19 10.705 -13.381 6.348 1.00 0.05 N ATOM 291 CA GLN A 19 11.522 -13.372 5.138 1.00 0.10 C ATOM 292 C GLN A 19 12.022 -11.974 4.816 1.00 0.05 C ATOM 293 O GLN A 19 11.378 -10.978 5.148 1.00 0.08 O ATOM 294 CB GLN A 19 10.730 -13.918 3.946 1.00 0.19 C ATOM 295 CG GLN A 19 10.977 -15.393 3.663 1.00 0.14 C ATOM 296 CD GLN A 19 12.325 -15.662 3.010 1.00 0.49 C ATOM 297 OE1 GLN A 19 12.801 -14.725 2.202 1.00 0.68 O flip ATOM 298 NE2 GLN A 19 12.928 -16.714 3.221 1.00 0.67 N flip ATOM 0 H GLN A 19 9.700 -13.342 6.180 1.00 0.05 H new ATOM 0 HA GLN A 19 12.383 -14.014 5.324 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.666 -13.767 4.130 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.985 -13.340 3.058 1.00 0.19 H new ATOM 0 HG2 GLN A 19 10.916 -15.951 4.598 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.185 -15.769 3.015 1.00 0.14 H new ATOM 0 HE21 GLN A 19 12.531 -17.412 3.849 1.00 0.67 H new ATOM 0 HE22 GLN A 19 13.825 -16.887 2.768 1.00 0.67 H new ATOM 307 N ASP A 20 13.180 -11.907 4.181 1.00 0.12 N ATOM 308 CA ASP A 20 13.759 -10.635 3.787 1.00 0.10 C ATOM 309 C ASP A 20 13.436 -10.364 2.324 1.00 0.09 C ATOM 310 O ASP A 20 13.319 -11.295 1.524 1.00 0.10 O ATOM 311 CB ASP A 20 15.275 -10.626 4.017 1.00 0.17 C ATOM 312 CG ASP A 20 16.039 -11.398 2.959 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.023 -12.646 2.997 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.671 -10.758 2.090 1.00 0.55 O ATOM 0 H ASP A 20 13.739 -12.722 3.927 1.00 0.12 H new ATOM 0 HA ASP A 20 13.328 -9.845 4.403 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.628 -9.595 4.033 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.491 -11.052 4.997 1.00 0.17 H new ATOM 319 N TYR A 21 13.257 -9.098 1.985 1.00 0.07 N ATOM 320 CA TYR A 21 12.932 -8.704 0.623 1.00 0.07 C ATOM 321 C TYR A 21 13.755 -7.497 0.192 1.00 0.07 C ATOM 322 O TYR A 21 13.831 -6.499 0.910 1.00 0.16 O ATOM 323 CB TYR A 21 11.444 -8.362 0.507 1.00 0.05 C ATOM 324 CG TYR A 21 10.516 -9.476 0.931 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.315 -10.585 0.120 1.00 0.05 C ATOM 326 CD2 TYR A 21 9.840 -9.417 2.143 1.00 0.15 C ATOM 327 CE1 TYR A 21 9.466 -11.604 0.503 1.00 0.08 C ATOM 328 CE2 TYR A 21 8.989 -10.432 2.534 1.00 0.17 C ATOM 329 CZ TYR A 21 8.807 -11.524 1.711 1.00 0.12 C ATOM 330 OH TYR A 21 7.957 -12.536 2.097 1.00 0.15 O ATOM 0 H TYR A 21 13.332 -8.320 2.640 1.00 0.07 H new ATOM 0 HA TYR A 21 13.167 -9.545 -0.029 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.237 -7.481 1.115 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.224 -8.095 -0.527 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.831 -10.652 -0.826 1.00 0.05 H new ATOM 0 HD2 TYR A 21 9.982 -8.564 2.790 1.00 0.15 H new ATOM 0 HE1 TYR A 21 9.319 -12.459 -0.140 1.00 0.08 H new ATOM 0 HE2 TYR A 21 8.469 -10.371 3.479 1.00 0.17 H new ATOM 0 HH TYR A 21 7.574 -12.325 2.974 1.00 0.15 H new ATOM 340 N THR A 22 14.384 -7.598 -0.971 1.00 0.19 N ATOM 341 CA THR A 22 15.172 -6.503 -1.510 1.00 0.20 C ATOM 342 C THR A 22 14.308 -5.668 -2.448 1.00 0.21 C ATOM 343 O THR A 22 13.951 -6.109 -3.541 1.00 0.38 O ATOM 344 CB THR A 22 16.419 -7.022 -2.253 1.00 0.25 C ATOM 345 OG1 THR A 22 17.165 -7.899 -1.394 1.00 0.19 O ATOM 346 CG2 THR A 22 17.311 -5.870 -2.697 1.00 0.32 C ATOM 0 H THR A 22 14.362 -8.431 -1.559 1.00 0.19 H new ATOM 0 HA THR A 22 15.515 -5.884 -0.681 1.00 0.20 H new ATOM 0 HB THR A 22 16.087 -7.564 -3.138 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.645 -7.370 -0.724 1.00 0.19 H new ATOM 0 HG21 THR A 22 18.183 -6.265 -3.218 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.753 -5.215 -3.367 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.636 -5.304 -1.824 1.00 0.32 H new ATOM 354 N ILE A 23 13.968 -4.467 -2.008 1.00 0.16 N ATOM 355 CA ILE A 23 13.118 -3.576 -2.784 1.00 0.16 C ATOM 356 C ILE A 23 13.816 -2.252 -3.069 1.00 0.15 C ATOM 357 O ILE A 23 14.944 -2.029 -2.632 1.00 0.13 O ATOM 358 CB ILE A 23 11.788 -3.296 -2.049 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.061 -2.727 -0.647 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.956 -4.570 -1.962 1.00 0.31 C ATOM 361 CD1 ILE A 23 10.821 -2.234 0.065 1.00 0.06 C ATOM 0 H ILE A 23 14.270 -4.084 -1.112 1.00 0.16 H new ATOM 0 HA ILE A 23 12.910 -4.079 -3.728 1.00 0.16 H new ATOM 0 HB ILE A 23 11.224 -2.554 -2.614 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.536 -3.497 -0.039 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.771 -1.905 -0.731 1.00 0.05 H new ATOM 0 HG21 ILE A 23 10.021 -4.359 -1.442 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.739 -4.932 -2.967 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.512 -5.331 -1.415 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.095 -1.848 1.047 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.356 -1.441 -0.521 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.117 -3.058 0.182 1.00 0.06 H new ATOM 373 N VAL A 24 13.136 -1.381 -3.803 1.00 0.16 N ATOM 374 CA VAL A 24 13.675 -0.073 -4.143 1.00 0.15 C ATOM 375 C VAL A 24 13.233 0.964 -3.112 1.00 0.15 C ATOM 376 O VAL A 24 12.050 1.287 -3.011 1.00 0.15 O ATOM 377 CB VAL A 24 13.223 0.384 -5.547 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.888 1.701 -5.926 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.525 -0.689 -6.584 1.00 0.18 C ATOM 0 H VAL A 24 12.204 -1.560 -4.176 1.00 0.16 H new ATOM 0 HA VAL A 24 14.762 -0.159 -4.142 1.00 0.15 H new ATOM 0 HB VAL A 24 12.145 0.542 -5.523 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.555 2.004 -6.919 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.615 2.468 -5.202 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.971 1.574 -5.929 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.199 -0.348 -7.566 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.597 -0.883 -6.605 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.995 -1.605 -6.324 1.00 0.18 H new ATOM 389 N GLY A 25 14.187 1.476 -2.348 1.00 0.14 N ATOM 390 CA GLY A 25 13.872 2.457 -1.331 1.00 0.13 C ATOM 391 C GLY A 25 14.298 3.856 -1.724 1.00 0.11 C ATOM 392 O GLY A 25 15.158 4.459 -1.083 1.00 0.08 O ATOM 0 H GLY A 25 15.174 1.229 -2.415 1.00 0.14 H new ATOM 0 HA2 GLY A 25 12.799 2.447 -1.141 1.00 0.13 H new ATOM 0 HA3 GLY A 25 14.363 2.179 -0.398 1.00 0.13 H new ATOM 396 N ALA A 26 13.688 4.379 -2.773 1.00 0.15 N ATOM 397 CA ALA A 26 14.012 5.713 -3.254 1.00 0.17 C ATOM 398 C ALA A 26 13.268 6.786 -2.463 1.00 0.12 C ATOM 399 O ALA A 26 12.257 7.322 -2.925 1.00 0.19 O ATOM 400 CB ALA A 26 13.696 5.823 -4.737 1.00 0.27 C ATOM 0 H ALA A 26 12.964 3.901 -3.310 1.00 0.15 H new ATOM 0 HA ALA A 26 15.079 5.878 -3.107 1.00 0.17 H new ATOM 0 HB1 ALA A 26 13.942 6.825 -5.088 1.00 0.27 H new ATOM 0 HB2 ALA A 26 14.284 5.090 -5.290 1.00 0.27 H new ATOM 0 HB3 ALA A 26 12.635 5.632 -4.898 1.00 0.27 H new ATOM 406 N GLU A 27 13.763 7.085 -1.270 1.00 0.11 N ATOM 407 CA GLU A 27 13.147 8.093 -0.423 1.00 0.05 C ATOM 408 C GLU A 27 14.124 8.576 0.657 1.00 0.10 C ATOM 409 O GLU A 27 14.727 9.640 0.526 1.00 0.20 O ATOM 410 CB GLU A 27 11.860 7.536 0.205 1.00 0.11 C ATOM 411 CG GLU A 27 11.266 8.435 1.269 1.00 0.78 C ATOM 412 CD GLU A 27 10.225 9.383 0.725 1.00 1.22 C ATOM 413 OE1 GLU A 27 10.546 10.159 -0.200 1.00 1.46 O ATOM 414 OE2 GLU A 27 9.084 9.342 1.222 1.00 1.58 O1- ATOM 0 H GLU A 27 14.590 6.643 -0.868 1.00 0.11 H new ATOM 0 HA GLU A 27 12.888 8.954 -1.039 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.121 7.379 -0.581 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.072 6.560 0.642 1.00 0.11 H new ATOM 0 HG2 GLU A 27 10.817 7.819 2.048 1.00 0.78 H new ATOM 0 HG3 GLU A 27 12.064 9.010 1.738 1.00 0.78 H new ATOM 421 N SER A 28 14.295 7.783 1.710 1.00 0.11 N ATOM 422 CA SER A 28 15.186 8.130 2.809 1.00 0.17 C ATOM 423 C SER A 28 15.444 6.899 3.672 1.00 0.18 C ATOM 424 O SER A 28 14.551 6.071 3.848 1.00 0.15 O ATOM 425 CB SER A 28 14.584 9.255 3.660 1.00 0.18 C ATOM 426 OG SER A 28 14.846 10.526 3.090 1.00 0.26 O ATOM 0 H SER A 28 13.822 6.887 1.824 1.00 0.11 H new ATOM 0 HA SER A 28 16.131 8.483 2.395 1.00 0.17 H new ATOM 0 HB2 SER A 28 13.508 9.109 3.751 1.00 0.18 H new ATOM 0 HB3 SER A 28 14.998 9.213 4.668 1.00 0.18 H new ATOM 0 HG SER A 28 14.949 10.434 2.120 1.00 0.26 H new ATOM 432 N PRO A 29 16.657 6.780 4.235 1.00 0.23 N ATOM 433 CA PRO A 29 17.059 5.636 5.068 1.00 0.26 C ATOM 434 C PRO A 29 16.072 5.315 6.192 1.00 0.28 C ATOM 435 O PRO A 29 15.747 4.151 6.424 1.00 0.34 O ATOM 436 CB PRO A 29 18.414 6.063 5.653 1.00 0.31 C ATOM 437 CG PRO A 29 18.544 7.520 5.356 1.00 0.31 C ATOM 438 CD PRO A 29 17.749 7.756 4.108 1.00 0.25 C ATOM 0 HA PRO A 29 17.098 4.722 4.475 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.452 5.878 6.726 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.230 5.498 5.203 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.164 8.122 6.181 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.588 7.798 5.213 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.375 8.778 4.053 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.343 7.585 3.210 1.00 0.25 H new ATOM 446 N ALA A 30 15.599 6.339 6.888 1.00 0.27 N ATOM 447 CA ALA A 30 14.660 6.138 7.989 1.00 0.30 C ATOM 448 C ALA A 30 13.251 5.862 7.478 1.00 0.18 C ATOM 449 O ALA A 30 12.519 5.048 8.043 1.00 0.15 O ATOM 450 CB ALA A 30 14.658 7.351 8.912 1.00 0.41 C ATOM 0 H ALA A 30 15.846 7.313 6.714 1.00 0.27 H new ATOM 0 HA ALA A 30 14.989 5.264 8.551 1.00 0.30 H new ATOM 0 HB1 ALA A 30 13.954 7.187 9.727 1.00 0.41 H new ATOM 0 HB2 ALA A 30 15.658 7.499 9.320 1.00 0.41 H new ATOM 0 HB3 ALA A 30 14.361 8.236 8.349 1.00 0.41 H new ATOM 456 N HIS A 31 12.888 6.519 6.385 1.00 0.13 N ATOM 457 CA HIS A 31 11.558 6.370 5.803 1.00 0.10 C ATOM 458 C HIS A 31 11.345 4.965 5.242 1.00 0.09 C ATOM 459 O HIS A 31 10.260 4.408 5.363 1.00 0.19 O ATOM 460 CB HIS A 31 11.346 7.415 4.705 1.00 0.21 C ATOM 461 CG HIS A 31 9.905 7.744 4.440 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.239 8.764 5.075 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.014 7.201 3.576 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.005 8.835 4.617 1.00 0.41 C ATOM 465 NE2 HIS A 31 7.837 7.901 3.703 1.00 0.32 N ATOM 0 H HIS A 31 13.497 7.163 5.881 1.00 0.13 H new ATOM 0 HA HIS A 31 10.826 6.526 6.596 1.00 0.10 H new ATOM 0 HB2 HIS A 31 11.871 8.329 4.982 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.800 7.054 3.782 1.00 0.21 H new ATOM 0 HD2 HIS A 31 9.195 6.371 2.910 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.255 9.543 4.938 1.00 0.41 H new ATOM 0 HE2 HIS A 31 6.980 7.727 3.179 1.00 0.32 H new ATOM 474 N ILE A 32 12.383 4.392 4.641 1.00 0.08 N ATOM 475 CA ILE A 32 12.283 3.052 4.055 1.00 0.20 C ATOM 476 C ILE A 32 12.278 1.956 5.121 1.00 0.27 C ATOM 477 O ILE A 32 11.883 0.823 4.852 1.00 0.36 O ATOM 478 CB ILE A 32 13.421 2.779 3.040 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.785 2.712 3.748 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.416 3.853 1.963 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.955 2.442 2.825 1.00 0.30 C ATOM 0 H ILE A 32 13.300 4.828 4.545 1.00 0.08 H new ATOM 0 HA ILE A 32 11.329 3.027 3.528 1.00 0.20 H new ATOM 0 HB ILE A 32 13.249 1.811 2.570 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.958 3.654 4.268 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.749 1.931 4.507 1.00 0.25 H new ATOM 0 HG21 ILE A 32 14.218 3.658 1.251 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.458 3.842 1.443 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.569 4.830 2.422 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.877 2.411 3.406 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.810 1.485 2.324 1.00 0.30 H new ATOM 0 HD13 ILE A 32 16.022 3.235 2.081 1.00 0.30 H new ATOM 493 N ARG A 33 12.696 2.296 6.332 1.00 0.25 N ATOM 494 CA ARG A 33 12.737 1.319 7.416 1.00 0.32 C ATOM 495 C ARG A 33 11.346 1.101 8.009 1.00 0.34 C ATOM 496 O ARG A 33 10.934 -0.037 8.240 1.00 0.57 O ATOM 497 CB ARG A 33 13.715 1.752 8.514 1.00 0.34 C ATOM 498 CG ARG A 33 15.017 0.960 8.525 1.00 0.38 C ATOM 499 CD ARG A 33 15.794 1.134 7.229 1.00 0.37 C ATOM 500 NE ARG A 33 17.175 0.662 7.342 1.00 0.36 N ATOM 501 CZ ARG A 33 18.242 1.464 7.343 1.00 0.68 C ATOM 502 NH1 ARG A 33 18.089 2.783 7.261 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 19.458 0.946 7.433 1.00 0.84 N ATOM 0 H ARG A 33 13.009 3.232 6.590 1.00 0.25 H new ATOM 0 HA ARG A 33 13.087 0.377 6.994 1.00 0.32 H new ATOM 0 HB2 ARG A 33 13.945 2.810 8.386 1.00 0.34 H new ATOM 0 HB3 ARG A 33 13.228 1.647 9.484 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.633 1.284 9.364 1.00 0.38 H new ATOM 0 HG3 ARG A 33 14.799 -0.097 8.679 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.290 0.590 6.430 1.00 0.37 H new ATOM 0 HD3 ARG A 33 15.794 2.187 6.946 1.00 0.37 H new ATOM 0 HE ARG A 33 17.332 -0.342 7.425 1.00 0.36 H new ATOM 0 HH11 ARG A 33 17.154 3.185 7.197 1.00 1.01 H new ATOM 0 HH12 ARG A 33 18.907 3.392 7.262 1.00 1.01 H new ATOM 0 HH21 ARG A 33 19.578 -0.065 7.501 1.00 0.84 H new ATOM 0 HH22 ARG A 33 20.274 1.558 7.434 1.00 0.84 H new ATOM 517 N LEU A 34 10.619 2.193 8.237 1.00 0.14 N ATOM 518 CA LEU A 34 9.276 2.108 8.810 1.00 0.15 C ATOM 519 C LEU A 34 8.298 1.442 7.844 1.00 0.16 C ATOM 520 O LEU A 34 7.264 0.921 8.260 1.00 0.17 O ATOM 521 CB LEU A 34 8.768 3.499 9.230 1.00 0.13 C ATOM 522 CG LEU A 34 8.669 4.554 8.120 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.275 4.570 7.514 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.019 5.929 8.669 1.00 0.04 C ATOM 0 H LEU A 34 10.934 3.142 8.035 1.00 0.14 H new ATOM 0 HA LEU A 34 9.338 1.484 9.702 1.00 0.15 H new ATOM 0 HB2 LEU A 34 7.781 3.381 9.678 1.00 0.13 H new ATOM 0 HB3 LEU A 34 9.428 3.883 10.008 1.00 0.13 H new ATOM 0 HG LEU A 34 9.381 4.295 7.336 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.228 5.325 6.729 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.052 3.591 7.089 1.00 0.12 H new ATOM 0 HD13 LEU A 34 6.544 4.805 8.288 1.00 0.12 H new ATOM 0 HD21 LEU A 34 8.945 6.669 7.872 1.00 0.04 H new ATOM 0 HD22 LEU A 34 8.326 6.188 9.470 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.037 5.917 9.059 1.00 0.04 H new ATOM 536 N VAL A 35 8.635 1.457 6.555 1.00 0.16 N ATOM 537 CA VAL A 35 7.791 0.842 5.533 1.00 0.16 C ATOM 538 C VAL A 35 7.620 -0.647 5.816 1.00 0.13 C ATOM 539 O VAL A 35 6.505 -1.170 5.819 1.00 0.12 O ATOM 540 CB VAL A 35 8.383 1.019 4.113 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.531 0.297 3.078 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.513 2.492 3.754 1.00 0.25 C ATOM 0 H VAL A 35 9.486 1.888 6.194 1.00 0.16 H new ATOM 0 HA VAL A 35 6.825 1.345 5.569 1.00 0.16 H new ATOM 0 HB VAL A 35 9.380 0.577 4.112 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.966 0.435 2.088 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.496 -0.767 3.314 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.520 0.705 3.090 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.931 2.587 2.752 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.530 2.962 3.783 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.171 2.984 4.470 1.00 0.25 H new ATOM 552 N ALA A 36 8.735 -1.314 6.081 1.00 0.14 N ATOM 553 CA ALA A 36 8.733 -2.741 6.364 1.00 0.15 C ATOM 554 C ALA A 36 7.952 -3.058 7.632 1.00 0.12 C ATOM 555 O ALA A 36 7.140 -3.985 7.657 1.00 0.11 O ATOM 556 CB ALA A 36 10.158 -3.246 6.493 1.00 0.18 C ATOM 0 H ALA A 36 9.660 -0.884 6.106 1.00 0.14 H new ATOM 0 HA ALA A 36 8.242 -3.247 5.533 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.147 -4.315 6.705 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.694 -3.066 5.561 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.658 -2.720 7.306 1.00 0.18 H new ATOM 562 N ALA A 37 8.197 -2.274 8.675 1.00 0.13 N ATOM 563 CA ALA A 37 7.532 -2.467 9.958 1.00 0.11 C ATOM 564 C ALA A 37 6.021 -2.297 9.834 1.00 0.14 C ATOM 565 O ALA A 37 5.257 -3.049 10.431 1.00 0.20 O ATOM 566 CB ALA A 37 8.092 -1.501 10.989 1.00 0.13 C ATOM 0 H ALA A 37 8.855 -1.495 8.657 1.00 0.13 H new ATOM 0 HA ALA A 37 7.725 -3.488 10.287 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.588 -1.654 11.943 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.161 -1.678 11.111 1.00 0.13 H new ATOM 0 HB3 ALA A 37 7.930 -0.477 10.654 1.00 0.13 H new ATOM 572 N PHE A 38 5.596 -1.314 9.048 1.00 0.15 N ATOM 573 CA PHE A 38 4.174 -1.050 8.852 1.00 0.21 C ATOM 574 C PHE A 38 3.483 -2.234 8.177 1.00 0.21 C ATOM 575 O PHE A 38 2.400 -2.652 8.589 1.00 0.28 O ATOM 576 CB PHE A 38 3.978 0.217 8.018 1.00 0.26 C ATOM 577 CG PHE A 38 2.538 0.611 7.856 1.00 0.34 C ATOM 578 CD1 PHE A 38 1.817 1.096 8.933 1.00 0.35 C ATOM 579 CD2 PHE A 38 1.908 0.494 6.629 1.00 0.41 C ATOM 580 CE1 PHE A 38 0.492 1.459 8.790 1.00 0.43 C ATOM 581 CE2 PHE A 38 0.582 0.855 6.480 1.00 0.50 C ATOM 582 CZ PHE A 38 -0.126 1.338 7.562 1.00 0.50 C ATOM 0 H PHE A 38 6.216 -0.686 8.536 1.00 0.15 H new ATOM 0 HA PHE A 38 3.721 -0.904 9.833 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.521 1.038 8.486 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.418 0.065 7.032 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.296 1.192 9.896 1.00 0.35 H new ATOM 0 HD2 PHE A 38 2.458 0.117 5.780 1.00 0.41 H new ATOM 0 HE1 PHE A 38 -0.060 1.837 9.638 1.00 0.43 H new ATOM 0 HE2 PHE A 38 0.100 0.759 5.518 1.00 0.50 H new ATOM 0 HZ PHE A 38 -1.162 1.621 7.448 1.00 0.50 H new ATOM 592 N VAL A 39 4.118 -2.776 7.148 1.00 0.16 N ATOM 593 CA VAL A 39 3.559 -3.908 6.417 1.00 0.17 C ATOM 594 C VAL A 39 3.504 -5.154 7.297 1.00 0.16 C ATOM 595 O VAL A 39 2.469 -5.816 7.383 1.00 0.18 O ATOM 596 CB VAL A 39 4.368 -4.203 5.139 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.823 -5.423 4.407 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.351 -2.986 4.232 1.00 0.15 C ATOM 0 H VAL A 39 5.020 -2.452 6.799 1.00 0.16 H new ATOM 0 HA VAL A 39 2.543 -3.638 6.128 1.00 0.17 H new ATOM 0 HB VAL A 39 5.396 -4.424 5.425 1.00 0.15 H new ATOM 0 HG11 VAL A 39 4.416 -5.604 3.510 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.878 -6.294 5.060 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.785 -5.245 4.126 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.924 -3.197 3.329 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.322 -2.748 3.962 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.795 -2.138 4.753 1.00 0.15 H new ATOM 608 N ASP A 40 4.616 -5.455 7.961 1.00 0.12 N ATOM 609 CA ASP A 40 4.690 -6.613 8.847 1.00 0.11 C ATOM 610 C ASP A 40 3.659 -6.483 9.964 1.00 0.12 C ATOM 611 O ASP A 40 3.035 -7.465 10.376 1.00 0.13 O ATOM 612 CB ASP A 40 6.096 -6.744 9.440 1.00 0.09 C ATOM 613 CG ASP A 40 6.176 -7.784 10.540 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.279 -8.990 10.225 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.151 -7.397 11.728 1.00 1.14 O1- ATOM 0 H ASP A 40 5.478 -4.913 7.903 1.00 0.12 H new ATOM 0 HA ASP A 40 4.473 -7.510 8.267 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.797 -7.006 8.647 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.410 -5.778 9.836 1.00 0.09 H new ATOM 620 N ASP A 41 3.463 -5.251 10.421 1.00 0.12 N ATOM 621 CA ASP A 41 2.503 -4.965 11.484 1.00 0.13 C ATOM 622 C ASP A 41 1.084 -5.242 11.005 1.00 0.09 C ATOM 623 O ASP A 41 0.297 -5.878 11.706 1.00 0.07 O ATOM 624 CB ASP A 41 2.615 -3.513 11.970 1.00 0.16 C ATOM 625 CG ASP A 41 2.740 -3.414 13.477 1.00 0.13 C ATOM 626 OD1 ASP A 41 3.247 -4.371 14.101 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 2.340 -2.377 14.045 1.00 0.22 O ATOM 0 H ASP A 41 3.958 -4.431 10.071 1.00 0.12 H new ATOM 0 HA ASP A 41 2.736 -5.621 12.323 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.482 -3.043 11.505 1.00 0.16 H new ATOM 0 HB3 ASP A 41 1.737 -2.955 11.644 1.00 0.16 H new ATOM 632 N LYS A 42 0.768 -4.772 9.800 1.00 0.10 N ATOM 633 CA LYS A 42 -0.555 -4.974 9.216 1.00 0.11 C ATOM 634 C LYS A 42 -0.797 -6.453 8.929 1.00 0.03 C ATOM 635 O LYS A 42 -1.911 -6.949 9.083 1.00 0.07 O ATOM 636 CB LYS A 42 -0.708 -4.153 7.931 1.00 0.19 C ATOM 637 CG LYS A 42 -1.158 -2.719 8.171 1.00 0.26 C ATOM 638 CD LYS A 42 -2.670 -2.580 8.059 1.00 0.28 C ATOM 639 CE LYS A 42 -3.134 -1.185 8.458 1.00 0.31 C ATOM 640 NZ LYS A 42 -4.619 -1.082 8.505 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.412 -4.247 9.208 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.299 -4.635 9.936 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.245 -4.142 7.402 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -1.429 -4.646 7.279 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -0.835 -2.396 9.161 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -0.677 -2.060 7.448 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -2.981 -2.789 7.035 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -3.153 -3.321 8.696 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -2.722 -0.932 9.435 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.743 -0.456 7.748 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.901 -0.086 8.408 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -5.030 -1.636 7.727 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.964 -1.452 9.413 1.00 0.38 H new ATOM 654 N MET A 43 0.258 -7.155 8.521 1.00 0.07 N ATOM 655 CA MET A 43 0.163 -8.577 8.220 1.00 0.12 C ATOM 656 C MET A 43 -0.319 -9.362 9.432 1.00 0.16 C ATOM 657 O MET A 43 -1.342 -10.043 9.368 1.00 0.35 O ATOM 658 CB MET A 43 1.511 -9.122 7.748 1.00 0.18 C ATOM 659 CG MET A 43 1.837 -8.786 6.303 1.00 0.16 C ATOM 660 SD MET A 43 2.902 -10.018 5.529 1.00 0.26 S ATOM 661 CE MET A 43 1.768 -11.395 5.361 1.00 0.29 C ATOM 0 H MET A 43 1.189 -6.759 8.392 1.00 0.07 H new ATOM 0 HA MET A 43 -0.565 -8.697 7.418 1.00 0.12 H new ATOM 0 HB2 MET A 43 2.298 -8.725 8.390 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.517 -10.205 7.869 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.910 -8.704 5.735 1.00 0.16 H new ATOM 0 HG3 MET A 43 2.324 -7.812 6.261 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.223 -12.168 4.742 1.00 0.29 H new ATOM 0 HE2 MET A 43 1.544 -11.804 6.346 1.00 0.29 H new ATOM 0 HE3 MET A 43 0.846 -11.052 4.893 1.00 0.29 H new ATOM 671 N HIS A 44 0.399 -9.251 10.548 1.00 0.02 N ATOM 672 CA HIS A 44 0.018 -9.973 11.761 1.00 0.04 C ATOM 673 C HIS A 44 -1.282 -9.417 12.341 1.00 0.05 C ATOM 674 O HIS A 44 -1.964 -10.094 13.103 1.00 0.20 O ATOM 675 CB HIS A 44 1.145 -9.963 12.815 1.00 0.08 C ATOM 676 CG HIS A 44 1.367 -8.651 13.520 1.00 0.11 C ATOM 677 ND1 HIS A 44 0.518 -8.155 14.489 1.00 0.27 N ATOM 678 CD2 HIS A 44 2.365 -7.740 13.403 1.00 0.29 C ATOM 679 CE1 HIS A 44 0.981 -7.000 14.930 1.00 0.38 C ATOM 680 NE2 HIS A 44 2.099 -6.726 14.291 1.00 0.40 N ATOM 0 H HIS A 44 1.237 -8.676 10.638 1.00 0.02 H new ATOM 0 HA HIS A 44 -0.151 -11.013 11.481 1.00 0.04 H new ATOM 0 HB2 HIS A 44 0.924 -10.724 13.563 1.00 0.08 H new ATOM 0 HB3 HIS A 44 2.075 -10.255 12.328 1.00 0.08 H new ATOM 0 HD2 HIS A 44 3.212 -7.800 12.735 1.00 0.29 H new ATOM 0 HE1 HIS A 44 0.520 -6.384 15.688 1.00 0.38 H new ATOM 0 HE2 HIS A 44 2.674 -5.896 14.432 1.00 0.40 H new ATOM 689 N GLU A 45 -1.620 -8.190 11.962 1.00 0.16 N ATOM 690 CA GLU A 45 -2.843 -7.550 12.433 1.00 0.15 C ATOM 691 C GLU A 45 -4.072 -8.301 11.927 1.00 0.15 C ATOM 692 O GLU A 45 -4.925 -8.723 12.709 1.00 0.17 O ATOM 693 CB GLU A 45 -2.886 -6.086 11.969 1.00 0.12 C ATOM 694 CG GLU A 45 -4.278 -5.455 11.993 1.00 0.09 C ATOM 695 CD GLU A 45 -4.244 -3.958 11.766 1.00 0.12 C ATOM 696 OE1 GLU A 45 -3.874 -3.225 12.707 1.00 0.16 O ATOM 697 OE2 GLU A 45 -4.586 -3.508 10.654 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.063 -7.617 11.328 1.00 0.16 H new ATOM 0 HA GLU A 45 -2.849 -7.575 13.523 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -2.223 -5.497 12.603 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.492 -6.028 10.954 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -4.897 -5.921 11.226 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.750 -5.662 12.953 1.00 0.09 H new ATOM 704 N PHE A 46 -4.141 -8.492 10.616 1.00 0.15 N ATOM 705 CA PHE A 46 -5.269 -9.179 10.010 1.00 0.14 C ATOM 706 C PHE A 46 -5.179 -10.690 10.202 1.00 0.16 C ATOM 707 O PHE A 46 -6.154 -11.410 9.974 1.00 0.17 O ATOM 708 CB PHE A 46 -5.387 -8.808 8.534 1.00 0.14 C ATOM 709 CG PHE A 46 -5.910 -7.414 8.344 1.00 0.15 C ATOM 710 CD1 PHE A 46 -7.267 -7.156 8.429 1.00 0.13 C ATOM 711 CD2 PHE A 46 -5.044 -6.362 8.103 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.751 -5.872 8.275 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.521 -5.076 7.945 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.877 -4.831 8.032 1.00 0.17 C ATOM 0 H PHE A 46 -3.430 -8.181 9.955 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.176 -8.851 10.517 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -4.410 -8.896 8.059 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -6.050 -9.515 8.034 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.954 -7.967 8.618 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.982 -6.549 8.038 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.812 -5.682 8.345 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.835 -4.264 7.754 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.254 -3.826 7.910 1.00 0.17 H new ATOM 724 N SER A 47 -4.014 -11.168 10.629 1.00 0.21 N ATOM 725 CA SER A 47 -3.823 -12.594 10.890 1.00 0.23 C ATOM 726 C SER A 47 -4.782 -13.059 11.991 1.00 0.21 C ATOM 727 O SER A 47 -5.169 -14.225 12.048 1.00 0.32 O ATOM 728 CB SER A 47 -2.376 -12.880 11.310 1.00 0.25 C ATOM 729 OG SER A 47 -1.450 -12.489 10.308 1.00 0.76 O ATOM 0 H SER A 47 -3.190 -10.593 10.802 1.00 0.21 H new ATOM 0 HA SER A 47 -4.034 -13.142 9.972 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.155 -12.350 12.236 1.00 0.25 H new ATOM 0 HB3 SER A 47 -2.261 -13.944 11.516 1.00 0.25 H new ATOM 0 HG SER A 47 -1.608 -11.553 10.064 1.00 0.76 H new ATOM 735 N GLU A 48 -5.170 -12.121 12.851 1.00 0.09 N ATOM 736 CA GLU A 48 -6.073 -12.401 13.959 1.00 0.08 C ATOM 737 C GLU A 48 -7.507 -12.627 13.465 1.00 0.10 C ATOM 738 O GLU A 48 -8.306 -13.306 14.116 1.00 0.07 O ATOM 739 CB GLU A 48 -6.036 -11.234 14.951 1.00 0.11 C ATOM 740 CG GLU A 48 -6.847 -11.476 16.209 1.00 0.06 C ATOM 741 CD GLU A 48 -6.259 -12.562 17.083 1.00 0.28 C ATOM 742 OE1 GLU A 48 -6.547 -13.749 16.839 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -5.513 -12.233 18.026 1.00 0.61 O ATOM 0 H GLU A 48 -4.867 -11.148 12.798 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.743 -13.315 14.452 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -5.000 -11.038 15.229 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.408 -10.337 14.457 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -6.909 -10.550 16.780 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -7.865 -11.749 15.933 1.00 0.06 H new ATOM 750 N LYS A 49 -7.827 -12.066 12.305 1.00 0.14 N ATOM 751 CA LYS A 49 -9.165 -12.196 11.745 1.00 0.18 C ATOM 752 C LYS A 49 -9.314 -13.496 10.968 1.00 0.27 C ATOM 753 O LYS A 49 -10.402 -14.068 10.926 1.00 0.38 O ATOM 754 CB LYS A 49 -9.488 -11.008 10.833 1.00 0.12 C ATOM 755 CG LYS A 49 -9.389 -9.646 11.516 1.00 0.20 C ATOM 756 CD LYS A 49 -10.484 -9.430 12.560 1.00 0.43 C ATOM 757 CE LYS A 49 -11.871 -9.303 11.937 1.00 0.64 C ATOM 758 NZ LYS A 49 -12.580 -10.610 11.859 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.181 -11.519 11.736 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.869 -12.208 12.577 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.809 -11.024 9.981 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.497 -11.131 10.439 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.414 -9.553 11.994 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -9.451 -8.861 10.763 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.480 -10.263 13.263 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.263 -8.529 13.132 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -12.467 -8.604 12.523 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.779 -8.882 10.936 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -12.976 -10.734 10.905 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -11.911 -11.380 12.059 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -13.350 -10.630 12.558 1.00 0.88 H new ATOM 772 N GLN A 50 -8.217 -13.951 10.360 1.00 0.30 N ATOM 773 CA GLN A 50 -8.213 -15.186 9.569 1.00 0.41 C ATOM 774 C GLN A 50 -9.313 -15.153 8.503 1.00 0.29 C ATOM 775 O GLN A 50 -10.311 -15.870 8.606 1.00 0.47 O ATOM 776 CB GLN A 50 -8.384 -16.404 10.480 1.00 0.63 C ATOM 777 CG GLN A 50 -7.201 -16.634 11.405 1.00 0.78 C ATOM 778 CD GLN A 50 -7.550 -17.498 12.600 1.00 0.93 C ATOM 779 OE1 GLN A 50 -8.681 -17.481 13.088 1.00 0.94 O ATOM 780 NE2 GLN A 50 -6.581 -18.262 13.079 1.00 1.07 N ATOM 0 H GLN A 50 -7.313 -13.480 10.400 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.251 -15.264 9.062 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.286 -16.277 11.079 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.533 -17.291 9.865 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.394 -17.106 10.845 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -6.827 -15.672 11.755 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -5.658 -18.247 12.645 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -6.757 -18.866 13.882 1.00 1.07 H new ATOM 789 N PRO A 51 -9.134 -14.323 7.457 1.00 0.11 N ATOM 790 CA PRO A 51 -10.125 -14.172 6.385 1.00 0.09 C ATOM 791 C PRO A 51 -10.415 -15.477 5.644 1.00 0.05 C ATOM 792 O PRO A 51 -11.568 -15.897 5.543 1.00 0.20 O ATOM 793 CB PRO A 51 -9.495 -13.141 5.435 1.00 0.32 C ATOM 794 CG PRO A 51 -8.046 -13.102 5.790 1.00 0.44 C ATOM 795 CD PRO A 51 -7.954 -13.471 7.242 1.00 0.34 C ATOM 0 HA PRO A 51 -11.090 -13.864 6.787 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.636 -13.430 4.394 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -9.956 -12.161 5.559 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.477 -13.800 5.175 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -7.630 -12.110 5.615 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.029 -14.004 7.463 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.974 -12.589 7.882 1.00 0.34 H new ATOM 803 N MET A 52 -9.369 -16.108 5.121 1.00 0.10 N ATOM 804 CA MET A 52 -9.521 -17.360 4.388 1.00 0.14 C ATOM 805 C MET A 52 -8.664 -18.462 4.999 1.00 0.14 C ATOM 806 O MET A 52 -8.508 -19.533 4.411 1.00 0.16 O ATOM 807 CB MET A 52 -9.148 -17.162 2.914 1.00 0.25 C ATOM 808 CG MET A 52 -10.149 -16.319 2.141 1.00 0.17 C ATOM 809 SD MET A 52 -9.746 -16.191 0.389 1.00 0.22 S ATOM 810 CE MET A 52 -11.213 -15.370 -0.232 1.00 1.11 C ATOM 0 H MET A 52 -8.408 -15.774 5.191 1.00 0.10 H new ATOM 0 HA MET A 52 -10.566 -17.663 4.454 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.167 -16.690 2.856 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.061 -18.138 2.436 1.00 0.25 H new ATOM 0 HG2 MET A 52 -11.143 -16.752 2.250 1.00 0.17 H new ATOM 0 HG3 MET A 52 -10.187 -15.320 2.575 1.00 0.17 H new ATOM 0 HE1 MET A 52 -11.117 -15.218 -1.307 1.00 1.11 H new ATOM 0 HE2 MET A 52 -12.089 -15.987 -0.029 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.326 -14.405 0.262 1.00 1.11 H new ATOM 820 N LEU A 53 -8.125 -18.194 6.192 1.00 0.15 N ATOM 821 CA LEU A 53 -7.271 -19.151 6.897 1.00 0.17 C ATOM 822 C LEU A 53 -6.154 -19.659 5.989 1.00 0.20 C ATOM 823 O LEU A 53 -5.972 -20.866 5.823 1.00 0.41 O ATOM 824 CB LEU A 53 -8.105 -20.315 7.435 1.00 0.19 C ATOM 825 CG LEU A 53 -8.909 -19.997 8.695 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.071 -20.962 8.838 1.00 0.31 C ATOM 827 CD2 LEU A 53 -8.016 -20.061 9.924 1.00 0.51 C ATOM 0 H LEU A 53 -8.267 -17.316 6.691 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.809 -18.639 7.741 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.792 -20.642 6.655 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.441 -21.153 7.646 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.306 -18.986 8.606 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.634 -20.722 9.740 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.724 -20.877 7.969 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.691 -21.981 8.907 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -8.604 -19.832 10.813 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -7.594 -21.062 10.016 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -7.209 -19.335 9.826 1.00 0.51 H new ATOM 839 N ASP A 54 -5.419 -18.726 5.400 1.00 0.04 N ATOM 840 CA ASP A 54 -4.323 -19.055 4.498 1.00 0.08 C ATOM 841 C ASP A 54 -3.376 -17.865 4.380 1.00 0.06 C ATOM 842 O ASP A 54 -3.823 -16.728 4.211 1.00 0.07 O ATOM 843 CB ASP A 54 -4.876 -19.445 3.125 1.00 0.12 C ATOM 844 CG ASP A 54 -3.848 -20.105 2.229 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.860 -20.663 2.752 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -4.035 -20.073 0.993 1.00 0.21 O ATOM 0 H ASP A 54 -5.564 -17.725 5.532 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.767 -19.903 4.899 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.719 -20.123 3.260 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.260 -18.553 2.630 1.00 0.12 H new ATOM 851 N VAL A 55 -2.075 -18.129 4.468 1.00 0.06 N ATOM 852 CA VAL A 55 -1.059 -17.077 4.398 1.00 0.07 C ATOM 853 C VAL A 55 -1.139 -16.260 3.095 1.00 0.06 C ATOM 854 O VAL A 55 -1.302 -15.041 3.153 1.00 0.06 O ATOM 855 CB VAL A 55 0.368 -17.650 4.573 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.415 -16.546 4.491 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.483 -18.397 5.892 1.00 0.13 C ATOM 0 H VAL A 55 -1.696 -19.068 4.589 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.272 -16.402 5.227 1.00 0.07 H new ATOM 0 HB VAL A 55 0.553 -18.351 3.759 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.408 -16.977 4.617 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.352 -16.057 3.519 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.234 -15.814 5.278 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.493 -18.793 5.999 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.272 -17.715 6.716 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.233 -19.219 5.908 1.00 0.13 H new ATOM 867 N PRO A 56 -1.031 -16.896 1.901 1.00 0.05 N ATOM 868 CA PRO A 56 -1.097 -16.172 0.623 1.00 0.04 C ATOM 869 C PRO A 56 -2.383 -15.359 0.472 1.00 0.04 C ATOM 870 O PRO A 56 -2.381 -14.288 -0.133 1.00 0.04 O ATOM 871 CB PRO A 56 -1.035 -17.275 -0.444 1.00 0.05 C ATOM 872 CG PRO A 56 -1.298 -18.551 0.282 1.00 0.06 C ATOM 873 CD PRO A 56 -0.818 -18.338 1.691 1.00 0.06 C ATOM 0 HA PRO A 56 -0.288 -15.446 0.542 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.778 -17.108 -1.224 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.060 -17.295 -0.931 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.360 -18.797 0.265 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.771 -19.382 -0.187 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.383 -18.937 2.405 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.231 -18.612 1.805 1.00 0.06 H new ATOM 881 N LYS A 57 -3.474 -15.865 1.042 1.00 0.05 N ATOM 882 CA LYS A 57 -4.762 -15.188 0.965 1.00 0.05 C ATOM 883 C LYS A 57 -4.799 -13.976 1.892 1.00 0.06 C ATOM 884 O LYS A 57 -5.565 -13.037 1.681 1.00 0.08 O ATOM 885 CB LYS A 57 -5.898 -16.151 1.322 1.00 0.06 C ATOM 886 CG LYS A 57 -5.924 -17.416 0.472 1.00 0.09 C ATOM 887 CD LYS A 57 -6.017 -17.102 -1.015 1.00 0.11 C ATOM 888 CE LYS A 57 -6.731 -18.210 -1.775 1.00 0.12 C ATOM 889 NZ LYS A 57 -6.019 -19.512 -1.676 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.490 -16.742 1.562 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.897 -14.844 -0.061 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.807 -16.432 2.371 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.850 -15.631 1.212 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -5.024 -18.000 0.664 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.773 -18.033 0.766 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -6.549 -16.161 -1.157 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -5.015 -16.967 -1.423 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -7.743 -18.321 -1.385 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -6.823 -17.927 -2.824 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -6.485 -20.210 -2.290 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -5.031 -19.391 -1.977 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.043 -19.847 -0.692 1.00 0.10 H new ATOM 903 N LEU A 58 -3.967 -14.006 2.921 1.00 0.05 N ATOM 904 CA LEU A 58 -3.895 -12.917 3.883 1.00 0.06 C ATOM 905 C LEU A 58 -2.991 -11.804 3.365 1.00 0.06 C ATOM 906 O LEU A 58 -3.268 -10.619 3.565 1.00 0.08 O ATOM 907 CB LEU A 58 -3.360 -13.436 5.218 1.00 0.06 C ATOM 908 CG LEU A 58 -3.247 -12.394 6.331 1.00 0.11 C ATOM 909 CD1 LEU A 58 -4.538 -12.324 7.127 1.00 0.07 C ATOM 910 CD2 LEU A 58 -2.067 -12.713 7.236 1.00 0.17 C ATOM 0 H LEU A 58 -3.328 -14.778 3.112 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.898 -12.515 4.027 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -4.010 -14.241 5.562 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.375 -13.871 5.050 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.076 -11.417 5.879 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -4.440 -11.577 7.915 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -5.359 -12.047 6.465 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -4.744 -13.297 7.573 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -1.999 -11.963 8.024 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -2.207 -13.697 7.683 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -1.148 -12.708 6.650 1.00 0.17 H new ATOM 922 N ALA A 59 -1.918 -12.201 2.691 1.00 0.05 N ATOM 923 CA ALA A 59 -0.952 -11.254 2.148 1.00 0.06 C ATOM 924 C ALA A 59 -1.569 -10.389 1.051 1.00 0.08 C ATOM 925 O ALA A 59 -1.332 -9.182 0.998 1.00 0.11 O ATOM 926 CB ALA A 59 0.269 -11.995 1.628 1.00 0.06 C ATOM 0 H ALA A 59 -1.694 -13.179 2.507 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.644 -10.586 2.953 1.00 0.06 H new ATOM 0 HB1 ALA A 59 0.985 -11.279 1.224 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.732 -12.551 2.443 1.00 0.06 H new ATOM 0 HB3 ALA A 59 -0.033 -12.688 0.843 1.00 0.06 H new ATOM 932 N VAL A 60 -2.369 -10.998 0.179 1.00 0.05 N ATOM 933 CA VAL A 60 -3.012 -10.243 -0.900 1.00 0.07 C ATOM 934 C VAL A 60 -4.080 -9.312 -0.332 1.00 0.07 C ATOM 935 O VAL A 60 -4.362 -8.253 -0.893 1.00 0.08 O ATOM 936 CB VAL A 60 -3.658 -11.145 -1.987 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.611 -11.993 -2.692 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.745 -12.027 -1.395 1.00 0.08 C ATOM 0 H VAL A 60 -2.587 -11.994 0.194 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.217 -9.672 -1.380 1.00 0.07 H new ATOM 0 HB VAL A 60 -4.117 -10.488 -2.725 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -3.094 -12.614 -3.447 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -1.878 -11.343 -3.171 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.109 -12.631 -1.964 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.178 -12.647 -2.180 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.315 -12.666 -0.624 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.522 -11.401 -0.956 1.00 0.08 H new ATOM 948 N LEU A 61 -4.653 -9.713 0.795 1.00 0.07 N ATOM 949 CA LEU A 61 -5.688 -8.932 1.450 1.00 0.08 C ATOM 950 C LEU A 61 -5.109 -7.649 2.032 1.00 0.08 C ATOM 951 O LEU A 61 -5.662 -6.568 1.843 1.00 0.08 O ATOM 952 CB LEU A 61 -6.346 -9.750 2.561 1.00 0.10 C ATOM 953 CG LEU A 61 -7.616 -9.133 3.152 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.806 -9.409 2.246 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.878 -9.668 4.552 1.00 0.07 C ATOM 0 H LEU A 61 -4.415 -10.581 1.275 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.439 -8.671 0.704 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.588 -10.738 2.170 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.622 -9.894 3.363 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.472 -8.055 3.223 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.703 -8.965 2.678 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.623 -8.975 1.263 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.946 -10.485 2.147 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.786 -9.215 4.951 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -8.001 -10.750 4.511 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -7.036 -9.423 5.199 1.00 0.07 H new ATOM 967 N THR A 62 -3.976 -7.769 2.712 1.00 0.10 N ATOM 968 CA THR A 62 -3.340 -6.617 3.330 1.00 0.11 C ATOM 969 C THR A 62 -2.829 -5.639 2.279 1.00 0.10 C ATOM 970 O THR A 62 -2.815 -4.429 2.503 1.00 0.13 O ATOM 971 CB THR A 62 -2.183 -7.039 4.253 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.704 -8.341 3.885 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.630 -7.053 5.701 1.00 0.15 C ATOM 0 H THR A 62 -3.481 -8.650 2.848 1.00 0.10 H new ATOM 0 HA THR A 62 -4.100 -6.120 3.933 1.00 0.11 H new ATOM 0 HB THR A 62 -1.377 -6.313 4.141 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.552 -8.372 2.917 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.797 -7.354 6.336 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.964 -6.056 5.988 1.00 0.15 H new ATOM 0 HG23 THR A 62 -3.452 -7.759 5.821 1.00 0.15 H new ATOM 981 N ALA A 63 -2.431 -6.167 1.128 1.00 0.08 N ATOM 982 CA ALA A 63 -1.925 -5.343 0.037 1.00 0.08 C ATOM 983 C ALA A 63 -2.978 -4.342 -0.436 1.00 0.07 C ATOM 984 O ALA A 63 -2.676 -3.170 -0.669 1.00 0.08 O ATOM 985 CB ALA A 63 -1.468 -6.221 -1.120 1.00 0.08 C ATOM 0 H ALA A 63 -2.449 -7.167 0.925 1.00 0.08 H new ATOM 0 HA ALA A 63 -1.071 -4.778 0.410 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.093 -5.592 -1.928 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.675 -6.887 -0.780 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.309 -6.813 -1.482 1.00 0.08 H new ATOM 991 N VAL A 64 -4.218 -4.803 -0.555 1.00 0.07 N ATOM 992 CA VAL A 64 -5.308 -3.944 -1.004 1.00 0.08 C ATOM 993 C VAL A 64 -5.804 -3.045 0.130 1.00 0.09 C ATOM 994 O VAL A 64 -6.332 -1.960 -0.114 1.00 0.12 O ATOM 995 CB VAL A 64 -6.476 -4.779 -1.594 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.306 -5.432 -0.503 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.353 -3.921 -2.494 1.00 0.12 C ATOM 0 H VAL A 64 -4.493 -5.763 -0.348 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.918 -3.305 -1.796 1.00 0.08 H new ATOM 0 HB VAL A 64 -6.037 -5.575 -2.195 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -8.114 -6.008 -0.955 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.674 -6.096 0.087 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.727 -4.662 0.144 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.165 -4.527 -2.896 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.769 -3.095 -1.917 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.755 -3.525 -3.315 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.609 -3.486 1.367 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.033 -2.711 2.525 1.00 0.09 C ATOM 1009 C GLN A 65 -5.063 -1.563 2.786 1.00 0.07 C ATOM 1010 O GLN A 65 -5.478 -0.442 3.071 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.153 -3.614 3.752 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.365 -4.539 3.692 1.00 0.10 C ATOM 1013 CD GLN A 65 -7.261 -5.715 4.638 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -6.169 -6.182 4.954 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -8.403 -6.204 5.095 1.00 0.31 N ATOM 0 H GLN A 65 -5.161 -4.374 1.593 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.014 -2.283 2.318 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.248 -4.215 3.845 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -6.218 -2.995 4.647 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -8.263 -3.968 3.929 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.482 -4.909 2.673 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -9.288 -5.786 4.807 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -8.398 -6.998 5.735 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.770 -1.848 2.685 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.751 -0.828 2.882 1.00 0.03 C ATOM 1026 C ILE A 66 -2.885 0.263 1.817 1.00 0.05 C ATOM 1027 O ILE A 66 -2.713 1.452 2.096 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.330 -1.443 2.843 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.068 -2.249 4.123 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.273 -0.362 2.663 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.103 -3.208 4.018 1.00 1.29 C ATOM 0 H ILE A 66 -3.404 -2.775 2.468 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.900 -0.385 3.867 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.269 -2.115 1.987 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.885 -1.557 4.945 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.966 -2.814 4.375 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.716 -0.820 2.639 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.450 0.168 1.727 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.327 0.341 3.494 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.224 -3.740 4.962 1.00 1.29 H new ATOM 0 HD12 ILE A 66 -0.085 -3.925 3.219 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.012 -2.649 3.798 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.224 -0.150 0.601 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.389 0.783 -0.503 1.00 0.05 C ATOM 1045 C ALA A 67 -4.534 1.755 -0.236 1.00 0.04 C ATOM 1046 O ALA A 67 -4.383 2.965 -0.421 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.624 0.028 -1.802 1.00 0.06 C ATOM 0 H ALA A 67 -3.390 -1.126 0.356 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.471 1.363 -0.595 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.746 0.739 -2.619 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.770 -0.618 -2.007 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.525 -0.579 -1.712 1.00 0.06 H new ATOM 1053 N SER A 68 -5.665 1.234 0.230 1.00 0.05 N ATOM 1054 CA SER A 68 -6.828 2.068 0.515 1.00 0.07 C ATOM 1055 C SER A 68 -6.553 3.007 1.688 1.00 0.08 C ATOM 1056 O SER A 68 -7.194 4.052 1.835 1.00 0.12 O ATOM 1057 CB SER A 68 -8.051 1.193 0.795 1.00 0.07 C ATOM 1058 OG SER A 68 -7.667 -0.074 1.300 1.00 0.04 O ATOM 0 H SER A 68 -5.801 0.241 0.418 1.00 0.05 H new ATOM 0 HA SER A 68 -7.034 2.682 -0.362 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.702 1.692 1.513 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.627 1.063 -0.121 1.00 0.07 H new ATOM 0 HG SER A 68 -6.964 0.041 1.973 1.00 0.04 H new ATOM 1064 N GLU A 69 -5.584 2.638 2.511 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.210 3.441 3.661 1.00 0.14 C ATOM 1066 C GLU A 69 -4.574 4.756 3.228 1.00 0.10 C ATOM 1067 O GLU A 69 -4.788 5.789 3.857 1.00 0.10 O ATOM 1068 CB GLU A 69 -4.248 2.671 4.568 1.00 0.19 C ATOM 1069 CG GLU A 69 -4.906 1.538 5.340 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.664 2.019 6.559 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -6.418 3.017 6.451 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -5.496 1.407 7.636 1.00 0.82 O ATOM 0 H GLU A 69 -5.040 1.782 2.401 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.120 3.664 4.219 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -3.439 2.263 3.961 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -3.796 3.366 5.276 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -5.590 1.004 4.680 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -4.142 0.825 5.651 1.00 0.29 H new ATOM 1079 N TYR A 70 -3.824 4.724 2.135 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.143 5.921 1.654 1.00 0.04 C ATOM 1081 C TYR A 70 -3.817 6.541 0.430 1.00 0.03 C ATOM 1082 O TYR A 70 -3.628 7.728 0.153 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.683 5.593 1.352 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.897 5.235 2.591 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.589 6.202 3.536 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.483 3.930 2.827 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.111 5.882 4.682 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.220 3.601 3.970 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.510 4.580 4.895 1.00 0.44 C ATOM 1090 OH TYR A 70 1.203 4.254 6.040 1.00 0.58 O ATOM 0 H TYR A 70 -3.672 3.890 1.568 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.201 6.667 2.446 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -1.640 4.763 0.647 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.216 6.449 0.865 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.902 7.223 3.373 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -0.714 3.160 2.105 1.00 0.37 H new ATOM 0 HE1 TYR A 70 0.345 6.647 5.407 1.00 0.47 H new ATOM 0 HE2 TYR A 70 0.540 2.583 4.137 1.00 0.46 H new ATOM 0 HH TYR A 70 1.004 3.328 6.290 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.603 5.757 -0.301 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.292 6.271 -1.486 1.00 0.11 C ATOM 1102 C LEU A 71 -6.259 7.390 -1.108 1.00 0.12 C ATOM 1103 O LEU A 71 -6.374 8.390 -1.816 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.041 5.154 -2.219 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.255 4.487 -3.364 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.825 3.117 -3.711 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.248 5.376 -4.603 1.00 0.23 C ATOM 0 H LEU A 71 -4.780 4.773 -0.099 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.535 6.675 -2.158 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.320 4.388 -1.495 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.967 5.562 -2.624 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.230 4.351 -3.018 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.246 2.677 -4.522 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.774 2.469 -2.836 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -6.864 3.224 -4.023 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.688 4.886 -5.399 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.272 5.548 -4.933 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.779 6.330 -4.363 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.928 7.231 0.026 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.875 8.237 0.494 1.00 0.16 C ATOM 1121 C LYS A 72 -7.146 9.408 1.155 1.00 0.16 C ATOM 1122 O LYS A 72 -7.764 10.390 1.564 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.902 7.617 1.453 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.335 7.135 2.788 1.00 0.18 C ATOM 1125 CD LYS A 72 -9.360 6.302 3.554 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.831 5.829 4.903 1.00 0.25 C ATOM 1127 NZ LYS A 72 -7.588 5.024 4.771 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.834 6.420 0.637 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.413 8.623 -0.372 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.681 8.353 1.652 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.380 6.774 0.953 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.438 6.541 2.612 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -8.036 7.993 3.390 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -10.263 6.893 3.708 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.643 5.437 2.954 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -8.636 6.693 5.537 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -9.596 5.234 5.402 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -7.522 4.355 5.564 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -7.609 4.498 3.874 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -6.762 5.656 4.782 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.822 9.303 1.238 1.00 0.03 N ATOM 1142 CA LEU A 73 -5.005 10.347 1.839 1.00 0.05 C ATOM 1143 C LEU A 73 -4.416 11.238 0.746 1.00 0.05 C ATOM 1144 O LEU A 73 -4.450 12.465 0.844 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.890 9.713 2.696 1.00 0.14 C ATOM 1146 CG LEU A 73 -3.120 10.644 3.655 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -2.046 11.433 2.916 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -4.062 11.591 4.390 1.00 0.24 C ATOM 0 H LEU A 73 -5.293 8.501 0.894 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.625 10.965 2.488 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.333 8.912 3.287 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.168 9.251 2.023 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.632 10.010 4.395 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -1.521 12.080 3.619 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -1.337 10.743 2.459 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -2.511 12.042 2.140 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -3.486 12.232 5.057 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -4.596 12.207 3.667 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -4.778 11.012 4.973 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.895 10.612 -0.307 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.301 11.348 -1.420 1.00 0.18 C ATOM 1162 C LYS A 74 -4.357 12.168 -2.156 1.00 0.21 C ATOM 1163 O LYS A 74 -4.051 13.191 -2.770 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.593 10.387 -2.385 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.508 9.347 -3.021 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.704 9.593 -4.509 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.481 9.171 -5.307 1.00 0.26 C ATOM 1168 NZ LYS A 74 -2.669 9.381 -6.764 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.872 9.598 -0.413 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.560 12.037 -1.014 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.119 10.969 -3.176 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.797 9.872 -1.847 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.087 8.353 -2.870 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.476 9.362 -2.521 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -4.577 9.041 -4.859 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.905 10.650 -4.681 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.614 9.737 -4.968 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.269 8.119 -5.117 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -1.812 9.081 -7.271 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -3.481 8.821 -7.094 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.846 10.389 -6.950 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.602 11.717 -2.085 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.698 12.416 -2.732 1.00 0.27 C ATOM 1184 C GLU A 75 -7.023 13.692 -1.960 1.00 0.23 C ATOM 1185 O GLU A 75 -7.336 14.725 -2.547 1.00 0.32 O ATOM 1186 CB GLU A 75 -7.928 11.509 -2.812 1.00 0.36 C ATOM 1187 CG GLU A 75 -8.969 11.977 -3.816 1.00 0.51 C ATOM 1188 CD GLU A 75 -8.399 12.140 -5.210 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -8.228 11.121 -5.918 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -8.136 13.286 -5.610 1.00 1.57 O1- ATOM 0 H GLU A 75 -5.876 10.871 -1.586 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.403 12.685 -3.746 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -7.608 10.501 -3.077 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.389 11.449 -1.826 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -9.790 11.260 -3.844 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.387 12.928 -3.485 1.00 0.51 H new ATOM 1197 N GLU A 76 -6.902 13.611 -0.637 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.177 14.742 0.245 1.00 0.10 C ATOM 1199 C GLU A 76 -6.294 15.940 -0.103 1.00 0.05 C ATOM 1200 O GLU A 76 -6.751 17.082 -0.107 1.00 0.03 O ATOM 1201 CB GLU A 76 -6.947 14.328 1.701 1.00 0.10 C ATOM 1202 CG GLU A 76 -7.413 15.354 2.719 1.00 0.19 C ATOM 1203 CD GLU A 76 -8.913 15.545 2.703 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -9.643 14.543 2.855 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -9.367 16.698 2.559 1.00 0.59 O1- ATOM 0 H GLU A 76 -6.612 12.764 -0.148 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.217 15.038 0.110 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.465 13.387 1.886 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -5.884 14.141 1.851 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -7.100 15.041 3.715 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -6.926 16.308 2.517 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.029 15.664 -0.403 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.074 16.710 -0.757 1.00 0.05 C ATOM 1214 C TYR A 77 -4.556 17.508 -1.971 1.00 0.07 C ATOM 1215 O TYR A 77 -4.540 18.741 -1.964 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.695 16.093 -1.035 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.742 17.022 -1.759 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.492 18.303 -1.282 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -1.107 16.623 -2.928 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.640 19.157 -1.944 1.00 0.16 C ATOM 1221 CE2 TYR A 77 -0.254 17.479 -3.601 1.00 0.17 C ATOM 1222 CZ TYR A 77 -0.025 18.744 -3.103 1.00 0.18 C ATOM 1223 OH TYR A 77 0.805 19.610 -3.777 1.00 0.21 O ATOM 0 H TYR A 77 -4.640 14.721 -0.408 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.992 17.397 0.085 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.245 15.792 -0.089 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.826 15.188 -1.628 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.975 18.634 -0.375 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -1.282 15.631 -3.317 1.00 0.14 H new ATOM 0 HE1 TYR A 77 -0.455 20.147 -1.555 1.00 0.16 H new ATOM 0 HE2 TYR A 77 0.230 17.158 -4.512 1.00 0.17 H new ATOM 0 HH TYR A 77 1.162 19.167 -4.575 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.007 16.799 -2.995 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.482 17.435 -4.219 1.00 0.13 C ATOM 1235 C GLN A 78 -6.788 18.192 -3.976 1.00 0.06 C ATOM 1236 O GLN A 78 -7.049 19.212 -4.614 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.674 16.379 -5.311 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.389 15.655 -5.676 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.638 14.362 -6.424 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -4.720 14.346 -7.654 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -4.746 13.267 -5.692 1.00 0.26 N ATOM 0 H GLN A 78 -5.055 15.780 -3.004 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.733 18.157 -4.545 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.412 15.650 -4.976 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -6.080 16.857 -6.202 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -3.769 16.310 -6.288 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -3.827 15.441 -4.767 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -4.672 13.323 -4.676 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -4.903 12.366 -6.143 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.577 17.711 -3.023 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.859 18.328 -2.697 1.00 0.11 C ATOM 1252 C ARG A 79 -8.648 19.623 -1.926 1.00 0.17 C ATOM 1253 O ARG A 79 -9.424 20.569 -2.040 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.720 17.368 -1.875 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.076 16.086 -2.609 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.079 16.338 -3.717 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.422 16.548 -3.182 1.00 1.20 N ATOM 1258 CZ ARG A 79 -13.282 17.456 -3.645 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -12.923 18.290 -4.615 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -14.495 17.550 -3.110 1.00 1.78 N ATOM 0 H ARG A 79 -7.351 16.892 -2.459 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.375 18.555 -3.630 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.191 17.115 -0.956 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.639 17.877 -1.584 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -9.173 15.644 -3.029 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.486 15.364 -1.903 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -10.775 17.211 -4.294 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -11.087 15.490 -4.402 1.00 0.78 H new ATOM 0 HE ARG A 79 -12.722 15.962 -2.403 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -11.984 18.238 -5.011 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -13.586 18.982 -4.964 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -14.766 16.929 -2.348 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -15.155 18.243 -3.462 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.585 19.654 -1.148 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.257 20.820 -0.352 1.00 0.17 C ATOM 1276 C LEU A 80 -6.666 21.928 -1.217 1.00 0.18 C ATOM 1277 O LEU A 80 -7.061 23.087 -1.117 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.261 20.427 0.738 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.752 21.576 1.613 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -6.843 22.043 2.562 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.509 21.155 2.387 1.00 0.23 C ATOM 0 H LEU A 80 -6.929 18.879 -1.050 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.173 21.198 0.102 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.729 19.683 1.382 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.404 19.946 0.266 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.481 22.408 0.964 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -6.465 22.860 3.177 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -7.702 22.389 1.987 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -7.146 21.216 3.204 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -4.164 21.986 3.002 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.749 20.306 3.027 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.723 20.871 1.687 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.740 21.555 -2.086 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.062 22.518 -2.949 1.00 0.21 C ATOM 1295 C ARG A 81 -5.985 23.129 -4.002 1.00 0.22 C ATOM 1296 O ARG A 81 -5.835 24.303 -4.347 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.852 21.864 -3.615 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.664 21.724 -2.672 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.545 22.705 -3.000 1.00 0.43 C ATOM 1300 NE ARG A 81 -0.572 22.129 -3.927 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.081 22.762 -4.990 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.440 24.014 -5.256 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 0.780 22.137 -5.780 1.00 0.54 N ATOM 0 H ARG A 81 -5.438 20.589 -2.215 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.732 23.338 -2.312 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.135 20.878 -3.985 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.555 22.456 -4.481 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.996 21.885 -1.647 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.279 20.706 -2.726 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -1.970 23.609 -3.435 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -1.040 23.001 -2.081 1.00 0.43 H new ATOM 0 HE ARG A 81 -0.248 21.179 -3.747 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -1.097 24.497 -4.643 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -0.059 24.491 -6.073 1.00 0.71 H new ATOM 0 HH21 ARG A 81 1.061 21.179 -5.571 1.00 0.54 H new ATOM 0 HH22 ARG A 81 1.162 22.614 -6.597 1.00 0.54 H new ATOM 1551 N THR B 10 -18.072 1.892 4.379 1.00 0.33 N ATOM 1552 CA THR B 10 -18.635 0.582 4.108 1.00 0.31 C ATOM 1553 C THR B 10 -17.580 -0.327 3.479 1.00 0.23 C ATOM 1554 O THR B 10 -16.557 0.147 2.967 1.00 0.23 O ATOM 1555 CB THR B 10 -19.882 0.682 3.191 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.686 -0.504 3.309 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.492 0.891 1.731 1.00 0.28 C ATOM 0 HA THR B 10 -18.954 0.150 5.056 1.00 0.31 H new ATOM 0 HB THR B 10 -20.458 1.548 3.518 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.470 -0.427 2.726 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.392 0.956 1.120 1.00 0.28 H new ATOM 0 HG22 THR B 10 -18.921 1.814 1.636 1.00 0.28 H new ATOM 0 HG23 THR B 10 -18.884 0.052 1.393 1.00 0.28 H new ATOM 1565 N ARG B 11 -17.818 -1.627 3.546 1.00 0.25 N ATOM 1566 CA ARG B 11 -16.898 -2.599 2.977 1.00 0.21 C ATOM 1567 C ARG B 11 -17.359 -3.011 1.584 1.00 0.27 C ATOM 1568 O ARG B 11 -18.546 -2.927 1.265 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.751 -3.817 3.895 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.001 -4.673 4.027 1.00 0.31 C ATOM 1571 CD ARG B 11 -17.816 -5.736 5.094 1.00 0.68 C ATOM 1572 NE ARG B 11 -18.993 -6.588 5.239 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.372 -7.136 6.394 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.688 -6.889 7.504 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.439 -7.924 6.441 1.00 1.72 N ATOM 0 H ARG B 11 -18.642 -2.034 3.989 1.00 0.25 H new ATOM 0 HA ARG B 11 -15.916 -2.135 2.888 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -15.939 -4.440 3.520 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.457 -3.473 4.887 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -18.854 -4.043 4.279 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.226 -5.146 3.071 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -16.953 -6.353 4.843 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -17.598 -5.256 6.048 1.00 0.68 H new ATOM 0 HE ARG B 11 -19.557 -6.774 4.410 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -17.871 -6.279 7.475 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -18.979 -7.309 8.387 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -20.972 -8.112 5.592 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -20.726 -8.342 7.326 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.422 -3.448 0.761 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.726 -3.837 -0.608 1.00 0.15 C ATOM 1591 C VAL B 12 -15.995 -5.126 -0.992 1.00 0.12 C ATOM 1592 O VAL B 12 -14.915 -5.421 -0.468 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.337 -2.699 -1.588 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.853 -2.381 -1.483 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.711 -3.041 -3.025 1.00 0.25 C ATOM 0 H VAL B 12 -15.439 -3.543 1.017 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.799 -4.019 -0.675 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.904 -1.813 -1.301 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.602 -1.580 -2.179 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.620 -2.064 -0.466 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.272 -3.270 -1.728 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.423 -2.220 -3.681 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.191 -3.949 -3.330 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.787 -3.199 -3.093 1.00 0.25 H new ATOM 1605 N SER B 13 -16.611 -5.901 -1.878 1.00 0.09 N ATOM 1606 CA SER B 13 -16.029 -7.137 -2.371 1.00 0.12 C ATOM 1607 C SER B 13 -15.416 -6.897 -3.750 1.00 0.18 C ATOM 1608 O SER B 13 -16.104 -6.464 -4.674 1.00 0.48 O ATOM 1609 CB SER B 13 -17.099 -8.231 -2.447 1.00 0.12 C ATOM 1610 OG SER B 13 -17.741 -8.403 -1.192 1.00 0.38 O ATOM 0 H SER B 13 -17.527 -5.687 -2.272 1.00 0.09 H new ATOM 0 HA SER B 13 -15.248 -7.466 -1.685 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.838 -7.970 -3.205 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.642 -9.171 -2.758 1.00 0.12 H new ATOM 0 HG SER B 13 -17.079 -8.669 -0.520 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.127 -7.169 -3.883 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.428 -6.962 -5.144 1.00 0.13 C ATOM 1618 C VAL B 14 -12.721 -8.237 -5.582 1.00 0.09 C ATOM 1619 O VAL B 14 -12.656 -9.204 -4.828 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.390 -5.821 -5.044 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.080 -4.468 -4.980 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.470 -6.015 -3.842 1.00 0.17 C ATOM 0 H VAL B 14 -13.542 -7.534 -3.132 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.181 -6.685 -5.882 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.775 -5.850 -5.944 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.330 -3.680 -4.910 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.677 -4.321 -5.880 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.728 -4.431 -4.104 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.751 -5.197 -3.798 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.063 -6.026 -2.928 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.938 -6.961 -3.940 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.197 -8.237 -6.800 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.494 -9.397 -7.330 1.00 0.12 C ATOM 1634 C ARG B 15 -10.000 -9.105 -7.450 1.00 0.08 C ATOM 1635 O ARG B 15 -9.596 -8.188 -8.165 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.070 -9.787 -8.694 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.394 -10.995 -9.328 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.070 -11.393 -10.632 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.410 -11.936 -10.410 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.510 -11.498 -11.023 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -14.446 -10.496 -11.894 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -15.682 -12.059 -10.754 1.00 0.33 N ATOM 0 H ARG B 15 -12.246 -7.445 -7.441 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.630 -10.231 -6.641 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.134 -9.996 -8.582 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -11.982 -8.937 -9.371 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.344 -10.769 -9.516 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.420 -11.834 -8.633 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -12.135 -10.524 -11.287 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -11.459 -12.135 -11.146 1.00 0.37 H new ATOM 0 HE ARG B 15 -13.509 -12.700 -9.742 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -13.549 -10.055 -12.099 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -15.293 -10.168 -12.358 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -15.739 -12.823 -10.080 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -16.526 -11.727 -11.221 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.185 -9.880 -6.747 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.741 -9.703 -6.774 1.00 0.08 C ATOM 1658 C ILE B 16 -7.054 -10.981 -7.246 1.00 0.13 C ATOM 1659 O ILE B 16 -7.174 -12.030 -6.609 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.192 -9.314 -5.383 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.890 -8.048 -4.870 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.684 -9.105 -5.446 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.682 -7.783 -3.393 1.00 0.15 C ATOM 0 H ILE B 16 -9.503 -10.642 -6.148 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.527 -8.893 -7.472 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.397 -10.128 -4.688 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.527 -7.191 -5.437 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.959 -8.130 -5.067 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.313 -8.832 -4.458 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.202 -10.027 -5.772 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.456 -8.307 -6.153 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.207 -6.871 -3.110 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -8.072 -8.621 -2.815 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.617 -7.666 -3.191 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.373 -10.884 -8.387 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.639 -12.005 -8.983 1.00 0.25 C ATOM 1677 C TYR B 17 -6.569 -13.162 -9.360 1.00 0.24 C ATOM 1678 O TYR B 17 -6.110 -14.259 -9.676 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.532 -12.488 -8.035 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.229 -12.802 -8.738 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.427 -11.788 -9.247 1.00 0.27 C ATOM 1682 CD2 TYR B 17 -2.806 -14.114 -8.901 1.00 0.22 C ATOM 1683 CE1 TYR B 17 -1.240 -12.074 -9.896 1.00 0.31 C ATOM 1684 CE2 TYR B 17 -1.623 -14.408 -9.550 1.00 0.20 C ATOM 1685 CZ TYR B 17 -0.843 -13.386 -10.046 1.00 0.26 C ATOM 1686 OH TYR B 17 0.333 -13.682 -10.698 1.00 0.34 O ATOM 0 H TYR B 17 -6.313 -10.022 -8.929 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.181 -11.643 -9.904 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.353 -11.723 -7.279 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.877 -13.379 -7.511 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.736 -10.759 -9.134 1.00 0.27 H new ATOM 0 HD2 TYR B 17 -3.413 -14.919 -8.513 1.00 0.22 H new ATOM 0 HE1 TYR B 17 -0.627 -11.274 -10.283 1.00 0.31 H new ATOM 0 HE2 TYR B 17 -1.310 -15.435 -9.668 1.00 0.20 H new ATOM 0 HH TYR B 17 1.036 -13.067 -10.400 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.875 -12.914 -9.336 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.829 -13.947 -9.695 1.00 0.22 C ATOM 1698 C GLY B 18 -9.795 -14.285 -8.573 1.00 0.22 C ATOM 1699 O GLY B 18 -10.946 -14.636 -8.828 1.00 0.24 O ATOM 0 H GLY B 18 -8.289 -12.019 -9.075 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.395 -13.622 -10.568 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.288 -14.848 -9.984 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.340 -14.166 -7.335 1.00 0.20 N ATOM 1704 CA GLN B 19 -10.183 -14.472 -6.184 1.00 0.21 C ATOM 1705 C GLN B 19 -10.900 -13.223 -5.683 1.00 0.18 C ATOM 1706 O GLN B 19 -10.426 -12.105 -5.880 1.00 0.13 O ATOM 1707 CB GLN B 19 -9.347 -15.074 -5.054 1.00 0.22 C ATOM 1708 CG GLN B 19 -9.521 -16.575 -4.885 1.00 0.56 C ATOM 1709 CD GLN B 19 -10.937 -16.971 -4.509 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -11.612 -16.128 -3.738 1.00 0.81 O flip ATOM 1711 NE2 GLN B 19 -11.413 -18.038 -4.893 1.00 1.36 N flip ATOM 0 H GLN B 19 -8.396 -13.861 -7.100 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.931 -15.198 -6.503 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.295 -14.860 -5.241 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.611 -14.581 -4.119 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -9.245 -17.074 -5.814 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -8.834 -16.930 -4.117 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -10.861 -18.659 -5.485 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -12.359 -18.302 -4.619 1.00 1.36 H new ATOM 1720 N ASP B 20 -12.043 -13.417 -5.043 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.818 -12.307 -4.505 1.00 0.24 C ATOM 1722 C ASP B 20 -12.451 -12.070 -3.043 1.00 0.23 C ATOM 1723 O ASP B 20 -12.241 -13.017 -2.286 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.322 -12.575 -4.637 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.793 -13.731 -3.777 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.453 -14.891 -4.092 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.508 -13.488 -2.784 1.00 1.64 O ATOM 0 H ASP B 20 -12.456 -14.336 -4.883 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.580 -11.413 -5.080 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.872 -11.675 -4.360 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.558 -12.785 -5.680 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.349 -10.804 -2.665 1.00 0.23 N ATOM 1733 CA TYR B 21 -12.003 -10.430 -1.300 1.00 0.22 C ATOM 1734 C TYR B 21 -12.846 -9.246 -0.840 1.00 0.24 C ATOM 1735 O TYR B 21 -13.127 -8.336 -1.620 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.518 -10.060 -1.202 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.583 -11.181 -1.582 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.231 -12.157 -0.661 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -9.058 -11.270 -2.865 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -8.387 -13.192 -1.009 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -8.212 -12.300 -3.219 1.00 0.16 C ATOM 1742 CZ TYR B 21 -7.879 -13.259 -2.288 1.00 0.15 C ATOM 1743 OH TYR B 21 -7.047 -14.295 -2.635 1.00 0.14 O ATOM 0 H TYR B 21 -12.502 -10.012 -3.290 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.203 -11.287 -0.657 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.324 -9.203 -1.847 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.298 -9.747 -0.181 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.624 -12.106 0.344 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -9.317 -10.520 -3.598 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -8.126 -13.946 -0.282 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.813 -12.354 -4.221 1.00 0.16 H new ATOM 0 HH TYR B 21 -6.776 -14.197 -3.572 1.00 0.14 H new ATOM 1753 N THR B 22 -13.249 -9.263 0.422 1.00 0.18 N ATOM 1754 CA THR B 22 -14.043 -8.181 0.982 1.00 0.18 C ATOM 1755 C THR B 22 -13.216 -7.374 1.977 1.00 0.16 C ATOM 1756 O THR B 22 -12.720 -7.915 2.966 1.00 0.21 O ATOM 1757 CB THR B 22 -15.310 -8.711 1.685 1.00 0.20 C ATOM 1758 OG1 THR B 22 -16.129 -9.433 0.754 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.114 -7.570 2.289 1.00 0.26 C ATOM 0 H THR B 22 -13.039 -10.015 1.078 1.00 0.18 H new ATOM 0 HA THR B 22 -14.349 -7.542 0.154 1.00 0.18 H new ATOM 0 HB THR B 22 -14.995 -9.380 2.486 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.929 -9.766 1.212 1.00 0.54 H new ATOM 0 HG21 THR B 22 -17.002 -7.970 2.779 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.503 -7.042 3.021 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.414 -6.879 1.501 1.00 0.26 H new ATOM 1767 N ILE B 23 -13.059 -6.086 1.705 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.292 -5.206 2.578 1.00 0.11 C ATOM 1769 C ILE B 23 -13.031 -3.893 2.791 1.00 0.14 C ATOM 1770 O ILE B 23 -13.971 -3.580 2.060 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.869 -4.898 2.031 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -10.909 -3.960 0.804 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.112 -6.181 1.722 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.425 -4.578 -0.484 1.00 0.08 C ATOM 0 H ILE B 23 -13.453 -5.626 0.885 1.00 0.11 H new ATOM 0 HA ILE B 23 -12.179 -5.739 3.522 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.329 -4.369 2.817 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -11.533 -3.100 1.048 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -9.902 -3.583 0.626 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.121 -5.936 1.341 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -10.015 -6.774 2.631 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.657 -6.754 0.972 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.409 -3.831 -1.278 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.790 -5.418 -0.764 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -12.446 -4.929 -0.336 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.620 -3.140 3.801 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.235 -1.857 4.092 1.00 0.17 C ATOM 1788 C VAL B 24 -12.739 -0.817 3.094 1.00 0.22 C ATOM 1789 O VAL B 24 -11.537 -0.586 2.985 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.921 -1.391 5.532 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.533 -0.026 5.802 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.422 -2.410 6.545 1.00 0.18 C ATOM 0 H VAL B 24 -11.862 -3.398 4.433 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.316 -1.971 4.005 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.839 -1.306 5.634 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.300 0.282 6.821 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.124 0.701 5.100 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.615 -0.081 5.678 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.192 -2.065 7.553 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.500 -2.528 6.439 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.933 -3.368 6.369 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.662 -0.217 2.352 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.281 0.777 1.373 1.00 0.27 C ATOM 1804 C GLY B 25 -13.132 2.152 1.984 1.00 0.07 C ATOM 1805 O GLY B 25 -12.076 2.775 1.873 1.00 0.28 O ATOM 0 H GLY B 25 -14.663 -0.402 2.412 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -12.340 0.484 0.908 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.030 0.812 0.582 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.205 2.620 2.626 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.224 3.933 3.274 1.00 0.36 C ATOM 1811 C ALA B 26 -13.885 5.046 2.284 1.00 0.34 C ATOM 1812 O ALA B 26 -13.312 6.072 2.655 1.00 0.57 O ATOM 1813 CB ALA B 26 -13.268 3.961 4.461 1.00 0.61 C ATOM 0 H ALA B 26 -15.080 2.103 2.711 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.236 4.109 3.640 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -13.297 4.945 4.928 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -13.567 3.205 5.187 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -12.255 3.752 4.117 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.262 4.849 1.030 1.00 0.08 N ATOM 1820 CA GLU B 27 -13.989 5.829 -0.007 1.00 0.06 C ATOM 1821 C GLU B 27 -15.108 5.839 -1.040 1.00 0.07 C ATOM 1822 O GLU B 27 -16.136 5.183 -0.864 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.645 5.532 -0.685 1.00 0.06 C ATOM 1824 CG GLU B 27 -11.649 6.678 -0.590 1.00 0.97 C ATOM 1825 CD GLU B 27 -12.244 8.001 -1.020 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.688 8.104 -2.186 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -12.291 8.932 -0.192 1.00 2.18 O ATOM 0 H GLU B 27 -14.758 4.018 0.707 1.00 0.08 H new ATOM 0 HA GLU B 27 -13.936 6.814 0.457 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.207 4.643 -0.231 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.821 5.300 -1.736 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -11.292 6.761 0.437 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -10.782 6.454 -1.212 1.00 0.97 H new ATOM 1834 N SER B 28 -14.898 6.593 -2.108 1.00 0.08 N ATOM 1835 CA SER B 28 -15.866 6.714 -3.183 1.00 0.11 C ATOM 1836 C SER B 28 -15.946 5.414 -3.989 1.00 0.14 C ATOM 1837 O SER B 28 -14.945 4.708 -4.138 1.00 0.14 O ATOM 1838 CB SER B 28 -15.473 7.885 -4.085 1.00 0.16 C ATOM 1839 OG SER B 28 -15.001 8.984 -3.318 1.00 0.98 O ATOM 0 H SER B 28 -14.049 7.139 -2.252 1.00 0.08 H new ATOM 0 HA SER B 28 -16.852 6.902 -2.758 1.00 0.11 H new ATOM 0 HB2 SER B 28 -14.700 7.566 -4.784 1.00 0.16 H new ATOM 0 HB3 SER B 28 -16.332 8.195 -4.680 1.00 0.16 H new ATOM 0 HG SER B 28 -14.091 8.798 -3.006 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.141 5.092 -4.523 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.381 3.869 -5.305 1.00 0.21 C ATOM 1847 C PRO B 29 -16.392 3.674 -6.454 1.00 0.18 C ATOM 1848 O PRO B 29 -15.961 2.556 -6.727 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.807 4.053 -5.857 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.149 5.487 -5.616 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.370 5.895 -4.401 1.00 0.18 C ATOM 0 HA PRO B 29 -17.256 2.983 -4.682 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -18.850 3.813 -6.919 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.511 3.392 -5.352 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -18.883 6.102 -6.476 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.220 5.612 -5.454 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.157 6.964 -4.396 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.909 5.673 -3.480 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.028 4.757 -7.126 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.094 4.672 -8.241 1.00 0.16 C ATOM 1861 C ALA B 30 -13.667 4.444 -7.757 1.00 0.10 C ATOM 1862 O ALA B 30 -12.894 3.719 -8.382 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.163 5.931 -9.086 1.00 0.20 C ATOM 0 H ALA B 30 -16.362 5.699 -6.921 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.384 3.816 -8.851 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -14.459 5.852 -9.915 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.173 6.051 -9.478 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -14.906 6.795 -8.473 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.337 5.038 -6.618 1.00 0.15 N ATOM 1870 CA HIS B 31 -11.993 4.931 -6.055 1.00 0.13 C ATOM 1871 C HIS B 31 -11.699 3.522 -5.549 1.00 0.07 C ATOM 1872 O HIS B 31 -10.617 2.991 -5.780 1.00 0.05 O ATOM 1873 CB HIS B 31 -11.799 5.941 -4.919 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.582 7.346 -5.391 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -11.766 8.446 -4.587 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -11.197 7.827 -6.597 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -11.505 9.542 -5.273 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -11.158 9.195 -6.499 1.00 1.22 N ATOM 0 H HIS B 31 -13.982 5.601 -6.063 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.291 5.154 -6.859 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.674 5.917 -4.270 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -10.945 5.635 -4.314 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -12.059 8.419 -3.610 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -10.964 7.242 -7.474 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -11.565 10.552 -4.896 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.674 2.915 -4.880 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.510 1.566 -4.320 1.00 0.08 C ATOM 1889 C ILE B 32 -12.387 0.486 -5.396 1.00 0.07 C ATOM 1890 O ILE B 32 -12.100 -0.671 -5.089 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.666 1.197 -3.358 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -15.002 1.128 -4.117 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.735 2.202 -2.215 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -16.175 0.673 -3.272 1.00 0.10 C ATOM 0 H ILE B 32 -13.589 3.331 -4.709 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.574 1.598 -3.762 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.472 0.211 -2.937 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.225 2.113 -4.527 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.892 0.448 -4.962 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -14.551 1.934 -1.544 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.794 2.192 -1.665 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.909 3.200 -2.618 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -17.077 0.652 -3.883 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.977 -0.326 -2.883 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -16.315 1.365 -2.442 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.586 0.856 -6.651 1.00 0.07 N ATOM 1907 CA ARG B 33 -12.487 -0.106 -7.742 1.00 0.05 C ATOM 1908 C ARG B 33 -11.053 -0.212 -8.247 1.00 0.04 C ATOM 1909 O ARG B 33 -10.563 -1.307 -8.525 1.00 0.05 O ATOM 1910 CB ARG B 33 -13.411 0.278 -8.897 1.00 0.07 C ATOM 1911 CG ARG B 33 -14.684 -0.554 -8.970 1.00 0.59 C ATOM 1912 CD ARG B 33 -15.604 -0.269 -7.794 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.984 -0.675 -8.062 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.882 0.093 -8.686 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -17.535 1.288 -9.145 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -19.123 -0.345 -8.869 1.00 1.46 N ATOM 0 H ARG B 33 -12.815 1.807 -6.940 1.00 0.07 H new ATOM 0 HA ARG B 33 -12.796 -1.076 -7.352 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -13.681 1.330 -8.800 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -12.866 0.174 -9.835 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.207 -0.340 -9.902 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.427 -1.613 -8.984 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.237 -0.794 -6.912 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -15.578 0.796 -7.564 1.00 0.36 H new ATOM 0 HE ARG B 33 -17.279 -1.601 -7.753 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -16.580 1.624 -9.022 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -18.223 1.871 -9.621 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -19.392 -1.270 -8.533 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -19.806 0.243 -9.346 1.00 1.46 H new ATOM 1930 N LEU B 34 -10.374 0.929 -8.341 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.001 0.956 -8.833 1.00 0.09 C ATOM 1932 C LEU B 34 -8.038 0.345 -7.821 1.00 0.08 C ATOM 1933 O LEU B 34 -6.958 -0.111 -8.192 1.00 0.12 O ATOM 1934 CB LEU B 34 -8.577 2.388 -9.188 1.00 0.12 C ATOM 1935 CG LEU B 34 -8.003 3.224 -8.039 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -6.485 3.302 -8.141 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -8.608 4.616 -8.044 1.00 0.14 C ATOM 0 H LEU B 34 -10.750 1.842 -8.084 1.00 0.06 H new ATOM 0 HA LEU B 34 -8.962 0.351 -9.739 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -7.832 2.339 -9.982 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -9.442 2.911 -9.595 1.00 0.12 H new ATOM 0 HG LEU B 34 -8.259 2.738 -7.097 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -6.095 3.900 -7.317 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -6.065 2.297 -8.091 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -6.207 3.765 -9.088 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -8.190 5.197 -7.222 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -8.380 5.108 -8.989 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -9.689 4.543 -7.924 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.435 0.330 -6.550 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.597 -0.231 -5.491 1.00 0.08 C ATOM 1951 C VAL B 35 -7.235 -1.680 -5.808 1.00 0.08 C ATOM 1952 O VAL B 35 -6.068 -2.068 -5.764 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.293 -0.186 -4.113 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.289 -0.429 -2.998 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -9.008 1.136 -3.903 1.00 0.09 C ATOM 0 H VAL B 35 -9.330 0.699 -6.228 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.697 0.382 -5.446 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.039 -0.981 -4.089 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.799 -0.393 -2.035 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.830 -1.409 -3.129 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.518 0.341 -3.029 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.488 1.138 -2.925 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.287 1.952 -3.955 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.763 1.269 -4.678 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.251 -2.464 -6.147 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.061 -3.873 -6.478 1.00 0.07 C ATOM 1967 C ALA B 36 -7.249 -4.045 -7.760 1.00 0.09 C ATOM 1968 O ALA B 36 -6.321 -4.857 -7.819 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.406 -4.560 -6.622 1.00 0.08 C ATOM 0 H ALA B 36 -9.219 -2.147 -6.200 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.502 -4.333 -5.663 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.253 -5.611 -6.869 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -9.956 -4.484 -5.684 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -9.977 -4.080 -7.417 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.601 -3.272 -8.783 1.00 0.12 N ATOM 1976 CA ALA B 37 -6.921 -3.333 -10.074 1.00 0.15 C ATOM 1977 C ALA B 37 -5.444 -2.975 -9.943 1.00 0.17 C ATOM 1978 O ALA B 37 -4.597 -3.497 -10.674 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.604 -2.413 -11.073 1.00 0.21 C ATOM 0 H ALA B 37 -8.359 -2.591 -8.742 1.00 0.12 H new ATOM 0 HA ALA B 37 -6.983 -4.359 -10.438 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.087 -2.468 -12.031 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.641 -2.722 -11.202 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.574 -1.388 -10.703 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.144 -2.084 -9.007 1.00 0.16 N ATOM 1986 CA PHE B 38 -3.774 -1.653 -8.767 1.00 0.18 C ATOM 1987 C PHE B 38 -2.947 -2.800 -8.196 1.00 0.15 C ATOM 1988 O PHE B 38 -1.804 -3.017 -8.601 1.00 0.16 O ATOM 1989 CB PHE B 38 -3.759 -0.462 -7.806 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.454 0.286 -7.781 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.197 1.283 -8.705 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -1.489 -0.003 -6.829 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -1.002 1.978 -8.683 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -0.293 0.686 -6.801 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.048 1.679 -7.730 1.00 0.14 C ATOM 0 H PHE B 38 -5.835 -1.644 -8.399 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.334 -1.347 -9.716 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.556 0.227 -8.085 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -3.982 -0.817 -6.800 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.939 1.521 -9.453 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -1.675 -0.777 -6.100 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -0.815 2.754 -9.410 1.00 0.36 H new ATOM 0 HE2 PHE B 38 0.450 0.449 -6.054 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.887 2.220 -7.711 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.537 -3.542 -7.267 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.854 -4.668 -6.642 1.00 0.14 C ATOM 2007 C VAL B 39 -2.631 -5.789 -7.651 1.00 0.14 C ATOM 2008 O VAL B 39 -1.539 -6.359 -7.730 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.651 -5.216 -5.438 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.961 -6.431 -4.835 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.835 -4.140 -4.383 1.00 0.22 C ATOM 0 H VAL B 39 -4.487 -3.384 -6.930 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.891 -4.303 -6.285 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.633 -5.523 -5.799 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.543 -6.797 -3.989 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.882 -7.215 -5.588 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.963 -6.152 -4.496 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.399 -4.546 -3.543 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.859 -3.801 -4.035 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.379 -3.299 -4.812 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.668 -6.088 -8.429 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.594 -7.139 -9.446 1.00 0.21 C ATOM 2023 C ASP B 40 -2.462 -6.860 -10.430 1.00 0.27 C ATOM 2024 O ASP B 40 -1.683 -7.750 -10.762 1.00 0.34 O ATOM 2025 CB ASP B 40 -4.924 -7.253 -10.200 1.00 0.21 C ATOM 2026 CG ASP B 40 -4.815 -8.104 -11.456 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.890 -9.348 -11.356 1.00 0.32 O1- ATOM 2028 OD2 ASP B 40 -4.664 -7.526 -12.554 1.00 0.47 O ATOM 0 H ASP B 40 -4.572 -5.618 -8.376 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.393 -8.083 -8.940 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.676 -7.683 -9.539 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.270 -6.256 -10.471 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.362 -5.610 -10.872 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.320 -5.219 -11.818 1.00 0.37 C ATOM 2035 C ASP B 41 0.060 -5.334 -11.189 1.00 0.32 C ATOM 2036 O ASP B 41 0.979 -5.898 -11.785 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.532 -3.790 -12.312 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.418 -3.342 -13.238 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.299 -3.907 -14.344 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 0.355 -2.436 -12.855 1.00 0.92 O ATOM 0 H ASP B 41 -2.986 -4.853 -10.592 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.383 -5.901 -12.666 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.487 -3.724 -12.834 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.588 -3.115 -11.458 1.00 0.46 H new ATOM 2045 N LYS B 42 0.198 -4.799 -9.980 1.00 0.28 N ATOM 2046 CA LYS B 42 1.467 -4.844 -9.266 1.00 0.24 C ATOM 2047 C LYS B 42 1.922 -6.289 -9.073 1.00 0.20 C ATOM 2048 O LYS B 42 3.032 -6.651 -9.455 1.00 0.18 O ATOM 2049 CB LYS B 42 1.351 -4.139 -7.910 1.00 0.24 C ATOM 2050 CG LYS B 42 1.451 -2.620 -7.996 1.00 0.21 C ATOM 2051 CD LYS B 42 2.894 -2.143 -7.881 1.00 0.40 C ATOM 2052 CE LYS B 42 2.998 -0.634 -8.058 1.00 0.55 C ATOM 2053 NZ LYS B 42 4.410 -0.160 -8.036 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.554 -4.330 -9.475 1.00 0.28 H new ATOM 0 HA LYS B 42 2.213 -4.321 -9.865 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.398 -4.406 -7.453 1.00 0.24 H new ATOM 0 HB3 LYS B 42 2.136 -4.509 -7.250 1.00 0.24 H new ATOM 0 HG2 LYS B 42 1.030 -2.281 -8.942 1.00 0.21 H new ATOM 0 HG3 LYS B 42 0.855 -2.170 -7.202 1.00 0.21 H new ATOM 0 HD2 LYS B 42 3.295 -2.425 -6.907 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.504 -2.642 -8.634 1.00 0.40 H new ATOM 0 HE2 LYS B 42 2.535 -0.348 -9.003 1.00 0.55 H new ATOM 0 HE3 LYS B 42 2.438 -0.138 -7.266 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.444 0.814 -7.673 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.974 -0.779 -7.420 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.799 -0.183 -9.000 1.00 0.48 H new ATOM 2067 N MET B 43 1.047 -7.118 -8.508 1.00 0.21 N ATOM 2068 CA MET B 43 1.364 -8.526 -8.275 1.00 0.19 C ATOM 2069 C MET B 43 1.740 -9.214 -9.578 1.00 0.17 C ATOM 2070 O MET B 43 2.673 -10.016 -9.626 1.00 0.18 O ATOM 2071 CB MET B 43 0.175 -9.257 -7.645 1.00 0.24 C ATOM 2072 CG MET B 43 0.030 -9.027 -6.150 1.00 0.25 C ATOM 2073 SD MET B 43 -1.095 -10.200 -5.370 1.00 0.31 S ATOM 2074 CE MET B 43 -0.172 -11.726 -5.543 1.00 0.24 C ATOM 0 H MET B 43 0.114 -6.840 -8.203 1.00 0.21 H new ATOM 0 HA MET B 43 2.210 -8.564 -7.589 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.740 -8.936 -8.142 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.280 -10.326 -7.829 1.00 0.24 H new ATOM 0 HG2 MET B 43 1.010 -9.102 -5.679 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.331 -8.013 -5.976 1.00 0.25 H new ATOM 0 HE1 MET B 43 -0.479 -12.427 -4.767 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.368 -12.161 -6.523 1.00 0.24 H new ATOM 0 HE3 MET B 43 0.894 -11.520 -5.445 1.00 0.24 H new ATOM 2084 N HIS B 44 1.019 -8.875 -10.635 1.00 0.16 N ATOM 2085 CA HIS B 44 1.252 -9.458 -11.952 1.00 0.19 C ATOM 2086 C HIS B 44 2.626 -9.071 -12.498 1.00 0.25 C ATOM 2087 O HIS B 44 3.326 -9.903 -13.072 1.00 0.61 O ATOM 2088 CB HIS B 44 0.164 -9.017 -12.940 1.00 0.26 C ATOM 2089 CG HIS B 44 -0.349 -10.118 -13.817 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -1.338 -9.922 -14.754 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -0.017 -11.427 -13.890 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -1.590 -11.061 -15.367 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -0.802 -11.992 -14.865 1.00 1.53 N ATOM 0 H HIS B 44 0.261 -8.193 -10.608 1.00 0.16 H new ATOM 0 HA HIS B 44 1.217 -10.542 -11.839 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.670 -8.594 -12.380 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.561 -8.221 -13.570 1.00 0.26 H new ATOM 0 HD2 HIS B 44 0.727 -11.934 -13.293 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -2.320 -11.208 -16.150 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -0.779 -12.970 -15.153 1.00 1.53 H new ATOM 2102 N GLU B 45 3.017 -7.817 -12.303 1.00 0.14 N ATOM 2103 CA GLU B 45 4.300 -7.338 -12.808 1.00 0.11 C ATOM 2104 C GLU B 45 5.476 -7.938 -12.035 1.00 0.07 C ATOM 2105 O GLU B 45 6.561 -8.109 -12.587 1.00 0.03 O ATOM 2106 CB GLU B 45 4.362 -5.802 -12.789 1.00 0.10 C ATOM 2107 CG GLU B 45 4.890 -5.203 -11.490 1.00 0.07 C ATOM 2108 CD GLU B 45 5.559 -3.863 -11.705 1.00 0.22 C ATOM 2109 OE1 GLU B 45 4.847 -2.835 -11.748 1.00 0.49 O ATOM 2110 OE2 GLU B 45 6.800 -3.829 -11.851 1.00 0.43 O1- ATOM 0 H GLU B 45 2.469 -7.117 -11.803 1.00 0.14 H new ATOM 0 HA GLU B 45 4.384 -7.672 -13.842 1.00 0.11 H new ATOM 0 HB2 GLU B 45 4.994 -5.467 -13.611 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.362 -5.409 -12.975 1.00 0.10 H new ATOM 0 HG2 GLU B 45 4.067 -5.086 -10.785 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.602 -5.893 -11.037 1.00 0.07 H new ATOM 2117 N PHE B 46 5.268 -8.266 -10.768 1.00 0.11 N ATOM 2118 CA PHE B 46 6.336 -8.849 -9.964 1.00 0.10 C ATOM 2119 C PHE B 46 6.407 -10.357 -10.180 1.00 0.10 C ATOM 2120 O PHE B 46 7.434 -10.986 -9.918 1.00 0.11 O ATOM 2121 CB PHE B 46 6.139 -8.524 -8.480 1.00 0.11 C ATOM 2122 CG PHE B 46 6.129 -7.047 -8.183 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.123 -6.214 -8.681 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.115 -6.488 -7.422 1.00 0.16 C ATOM 2125 CE1 PHE B 46 7.103 -4.857 -8.422 1.00 0.14 C ATOM 2126 CE2 PHE B 46 5.089 -5.130 -7.163 1.00 0.17 C ATOM 2127 CZ PHE B 46 6.084 -4.312 -7.666 1.00 0.15 C ATOM 0 H PHE B 46 4.382 -8.141 -10.278 1.00 0.11 H new ATOM 0 HA PHE B 46 7.282 -8.411 -10.284 1.00 0.10 H new ATOM 0 HB2 PHE B 46 5.199 -8.960 -8.143 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.935 -8.997 -7.904 1.00 0.11 H new ATOM 0 HD1 PHE B 46 7.921 -6.632 -9.277 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.335 -7.121 -7.026 1.00 0.16 H new ATOM 0 HE1 PHE B 46 7.885 -4.222 -8.811 1.00 0.14 H new ATOM 0 HE2 PHE B 46 4.292 -4.708 -6.568 1.00 0.17 H new ATOM 0 HZ PHE B 46 6.064 -3.250 -7.468 1.00 0.15 H new ATOM 2137 N SER B 47 5.311 -10.928 -10.670 1.00 0.09 N ATOM 2138 CA SER B 47 5.236 -12.362 -10.939 1.00 0.10 C ATOM 2139 C SER B 47 6.306 -12.795 -11.943 1.00 0.09 C ATOM 2140 O SER B 47 6.970 -13.813 -11.751 1.00 0.13 O ATOM 2141 CB SER B 47 3.847 -12.731 -11.470 1.00 0.13 C ATOM 2142 OG SER B 47 2.840 -12.486 -10.499 1.00 0.49 O ATOM 0 H SER B 47 4.457 -10.416 -10.890 1.00 0.09 H new ATOM 0 HA SER B 47 5.415 -12.887 -10.000 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.635 -12.154 -12.370 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.832 -13.783 -11.755 1.00 0.13 H new ATOM 0 HG SER B 47 2.839 -11.535 -10.261 1.00 0.49 H new ATOM 2148 N GLU B 48 6.489 -11.999 -12.990 1.00 0.13 N ATOM 2149 CA GLU B 48 7.471 -12.307 -14.032 1.00 0.12 C ATOM 2150 C GLU B 48 8.908 -12.163 -13.528 1.00 0.09 C ATOM 2151 O GLU B 48 9.844 -12.671 -14.144 1.00 0.07 O ATOM 2152 CB GLU B 48 7.248 -11.412 -15.257 1.00 0.15 C ATOM 2153 CG GLU B 48 7.348 -9.921 -14.964 1.00 0.17 C ATOM 2154 CD GLU B 48 8.531 -9.269 -15.648 1.00 0.71 C ATOM 2155 OE1 GLU B 48 8.526 -9.179 -16.896 1.00 1.67 O ATOM 2156 OE2 GLU B 48 9.464 -8.831 -14.944 1.00 0.76 O1- ATOM 0 H GLU B 48 5.971 -11.134 -13.143 1.00 0.13 H new ATOM 0 HA GLU B 48 7.326 -13.349 -14.316 1.00 0.12 H new ATOM 0 HB2 GLU B 48 7.981 -11.671 -16.021 1.00 0.15 H new ATOM 0 HB3 GLU B 48 6.264 -11.624 -15.674 1.00 0.15 H new ATOM 0 HG2 GLU B 48 6.430 -9.429 -15.287 1.00 0.17 H new ATOM 0 HG3 GLU B 48 7.428 -9.771 -13.887 1.00 0.17 H new ATOM 2163 N LYS B 49 9.082 -11.475 -12.409 1.00 0.10 N ATOM 2164 CA LYS B 49 10.410 -11.273 -11.844 1.00 0.10 C ATOM 2165 C LYS B 49 10.863 -12.513 -11.084 1.00 0.15 C ATOM 2166 O LYS B 49 12.051 -12.834 -11.062 1.00 0.23 O ATOM 2167 CB LYS B 49 10.418 -10.057 -10.915 1.00 0.09 C ATOM 2168 CG LYS B 49 10.163 -8.739 -11.629 1.00 0.12 C ATOM 2169 CD LYS B 49 11.435 -7.914 -11.760 1.00 0.05 C ATOM 2170 CE LYS B 49 12.408 -8.523 -12.758 1.00 1.11 C ATOM 2171 NZ LYS B 49 11.968 -8.323 -14.164 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.324 -11.048 -11.876 1.00 0.10 H new ATOM 0 HA LYS B 49 11.105 -11.093 -12.664 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.660 -10.195 -10.144 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.382 -10.005 -10.408 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.753 -8.935 -12.620 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.414 -8.168 -11.081 1.00 0.12 H new ATOM 0 HD2 LYS B 49 11.180 -6.902 -12.074 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.917 -7.834 -10.786 1.00 0.05 H new ATOM 0 HE2 LYS B 49 13.393 -8.078 -12.620 1.00 1.11 H new ATOM 0 HE3 LYS B 49 12.510 -9.590 -12.559 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 12.722 -8.631 -14.811 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 11.109 -8.882 -14.342 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 11.765 -7.316 -14.324 1.00 1.14 H new ATOM 2185 N GLN B 50 9.898 -13.199 -10.469 1.00 0.20 N ATOM 2186 CA GLN B 50 10.159 -14.414 -9.690 1.00 0.30 C ATOM 2187 C GLN B 50 11.315 -14.216 -8.706 1.00 0.13 C ATOM 2188 O GLN B 50 12.368 -14.841 -8.834 1.00 0.29 O ATOM 2189 CB GLN B 50 10.452 -15.594 -10.620 1.00 0.53 C ATOM 2190 CG GLN B 50 9.227 -16.087 -11.371 1.00 1.05 C ATOM 2191 CD GLN B 50 9.533 -17.239 -12.305 1.00 1.30 C ATOM 2192 OE1 GLN B 50 10.638 -17.354 -12.830 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.551 -18.098 -12.522 1.00 1.60 N ATOM 0 H GLN B 50 8.915 -12.930 -10.496 1.00 0.20 H new ATOM 0 HA GLN B 50 9.262 -14.632 -9.111 1.00 0.30 H new ATOM 0 HB2 GLN B 50 11.216 -15.299 -11.339 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.865 -16.415 -10.034 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.468 -16.399 -10.653 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.803 -15.263 -11.945 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.648 -17.966 -12.066 1.00 1.60 H new ATOM 0 HE22 GLN B 50 8.697 -18.892 -13.145 1.00 1.60 H new ATOM 2202 N PRO B 51 11.125 -13.356 -7.693 1.00 0.16 N ATOM 2203 CA PRO B 51 12.161 -13.067 -6.705 1.00 0.27 C ATOM 2204 C PRO B 51 12.359 -14.212 -5.719 1.00 0.20 C ATOM 2205 O PRO B 51 13.465 -14.719 -5.556 1.00 0.19 O ATOM 2206 CB PRO B 51 11.644 -11.816 -5.974 1.00 0.48 C ATOM 2207 CG PRO B 51 10.384 -11.410 -6.671 1.00 0.51 C ATOM 2208 CD PRO B 51 9.893 -12.612 -7.421 1.00 0.41 C ATOM 0 HA PRO B 51 13.132 -12.923 -7.178 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.454 -12.031 -4.923 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.382 -11.014 -6.007 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.637 -11.072 -5.953 1.00 0.51 H new ATOM 0 HG3 PRO B 51 10.570 -10.580 -7.352 1.00 0.51 H new ATOM 0 HD2 PRO B 51 9.190 -13.198 -6.829 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.379 -12.332 -8.341 1.00 0.41 H new ATOM 2216 N MET B 52 11.277 -14.617 -5.068 1.00 0.17 N ATOM 2217 CA MET B 52 11.338 -15.695 -4.090 1.00 0.11 C ATOM 2218 C MET B 52 10.735 -16.977 -4.650 1.00 0.09 C ATOM 2219 O MET B 52 10.749 -18.015 -3.987 1.00 0.08 O ATOM 2220 CB MET B 52 10.617 -15.286 -2.804 1.00 0.12 C ATOM 2221 CG MET B 52 11.184 -14.027 -2.166 1.00 0.18 C ATOM 2222 SD MET B 52 12.954 -14.156 -1.854 1.00 0.26 S ATOM 2223 CE MET B 52 13.344 -12.469 -1.395 1.00 0.43 C ATOM 0 H MET B 52 10.348 -14.216 -5.199 1.00 0.17 H new ATOM 0 HA MET B 52 12.386 -15.886 -3.861 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.561 -15.129 -3.023 1.00 0.12 H new ATOM 0 HB3 MET B 52 10.676 -16.105 -2.087 1.00 0.12 H new ATOM 0 HG2 MET B 52 10.993 -13.175 -2.818 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.665 -13.833 -1.227 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.292 -12.448 -0.858 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.422 -11.856 -2.293 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.556 -12.075 -0.754 1.00 0.43 H new ATOM 2233 N LEU B 53 10.206 -16.888 -5.874 1.00 0.10 N ATOM 2234 CA LEU B 53 9.599 -18.033 -6.553 1.00 0.11 C ATOM 2235 C LEU B 53 8.528 -18.694 -5.691 1.00 0.08 C ATOM 2236 O LEU B 53 8.561 -19.905 -5.457 1.00 0.10 O ATOM 2237 CB LEU B 53 10.678 -19.048 -6.946 1.00 0.19 C ATOM 2238 CG LEU B 53 11.414 -18.733 -8.249 1.00 0.25 C ATOM 2239 CD1 LEU B 53 12.745 -19.463 -8.305 1.00 0.62 C ATOM 2240 CD2 LEU B 53 10.555 -19.115 -9.443 1.00 1.07 C ATOM 0 H LEU B 53 10.187 -16.025 -6.418 1.00 0.10 H new ATOM 0 HA LEU B 53 9.112 -17.667 -7.457 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.408 -19.111 -6.139 1.00 0.19 H new ATOM 0 HB3 LEU B 53 10.216 -20.031 -7.035 1.00 0.19 H new ATOM 0 HG LEU B 53 11.609 -17.661 -8.283 1.00 0.25 H new ATOM 0 HD11 LEU B 53 13.252 -19.225 -9.240 1.00 0.62 H new ATOM 0 HD12 LEU B 53 13.367 -19.151 -7.466 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.573 -20.538 -8.249 1.00 0.62 H new ATOM 0 HD21 LEU B 53 11.090 -18.886 -10.364 1.00 1.07 H new ATOM 0 HD22 LEU B 53 10.335 -20.182 -9.407 1.00 1.07 H new ATOM 0 HD23 LEU B 53 9.622 -18.552 -9.415 1.00 1.07 H new ATOM 2252 N ASP B 54 7.579 -17.890 -5.230 1.00 0.09 N ATOM 2253 CA ASP B 54 6.491 -18.377 -4.391 1.00 0.12 C ATOM 2254 C ASP B 54 5.392 -17.323 -4.308 1.00 0.10 C ATOM 2255 O ASP B 54 5.679 -16.144 -4.092 1.00 0.18 O ATOM 2256 CB ASP B 54 7.003 -18.714 -2.989 1.00 0.19 C ATOM 2257 CG ASP B 54 6.062 -19.633 -2.241 1.00 0.24 C ATOM 2258 OD1 ASP B 54 5.482 -20.541 -2.879 1.00 0.28 O1- ATOM 2259 OD2 ASP B 54 5.894 -19.453 -1.020 1.00 0.26 O ATOM 0 H ASP B 54 7.541 -16.890 -5.425 1.00 0.09 H new ATOM 0 HA ASP B 54 6.085 -19.285 -4.837 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.983 -19.185 -3.066 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.136 -17.793 -2.422 1.00 0.19 H new ATOM 2264 N VAL B 55 4.144 -17.748 -4.485 1.00 0.11 N ATOM 2265 CA VAL B 55 3.002 -16.835 -4.448 1.00 0.12 C ATOM 2266 C VAL B 55 2.860 -16.127 -3.091 1.00 0.08 C ATOM 2267 O VAL B 55 2.754 -14.899 -3.061 1.00 0.04 O ATOM 2268 CB VAL B 55 1.679 -17.549 -4.827 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.469 -16.687 -4.495 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.681 -17.906 -6.304 1.00 0.32 C ATOM 0 H VAL B 55 3.896 -18.722 -4.656 1.00 0.11 H new ATOM 0 HA VAL B 55 3.204 -16.071 -5.199 1.00 0.12 H new ATOM 0 HB VAL B 55 1.610 -18.464 -4.238 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.442 -17.217 -4.773 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.455 -16.477 -3.426 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.527 -15.750 -5.048 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.747 -18.407 -6.559 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.779 -16.997 -6.898 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.519 -18.570 -6.517 1.00 0.32 H new ATOM 2280 N PRO B 56 2.847 -16.863 -1.952 1.00 0.10 N ATOM 2281 CA PRO B 56 2.726 -16.244 -0.623 1.00 0.10 C ATOM 2282 C PRO B 56 3.756 -15.138 -0.398 1.00 0.07 C ATOM 2283 O PRO B 56 3.437 -14.072 0.128 1.00 0.14 O ATOM 2284 CB PRO B 56 2.983 -17.405 0.340 1.00 0.14 C ATOM 2285 CG PRO B 56 2.590 -18.620 -0.421 1.00 0.15 C ATOM 2286 CD PRO B 56 2.920 -18.339 -1.858 1.00 0.14 C ATOM 0 HA PRO B 56 1.756 -15.766 -0.490 1.00 0.10 H new ATOM 0 HB2 PRO B 56 4.030 -17.447 0.640 1.00 0.14 H new ATOM 0 HB3 PRO B 56 2.395 -17.301 1.252 1.00 0.14 H new ATOM 0 HG2 PRO B 56 3.130 -19.496 -0.062 1.00 0.15 H new ATOM 0 HG3 PRO B 56 1.527 -18.829 -0.299 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.911 -18.709 -2.121 1.00 0.14 H new ATOM 0 HD3 PRO B 56 2.211 -18.819 -2.533 1.00 0.14 H new ATOM 2294 N LYS B 57 4.988 -15.396 -0.818 1.00 0.09 N ATOM 2295 CA LYS B 57 6.071 -14.429 -0.661 1.00 0.06 C ATOM 2296 C LYS B 57 5.902 -13.255 -1.622 1.00 0.07 C ATOM 2297 O LYS B 57 6.174 -12.107 -1.266 1.00 0.12 O ATOM 2298 CB LYS B 57 7.431 -15.098 -0.891 1.00 0.12 C ATOM 2299 CG LYS B 57 7.658 -16.356 -0.063 1.00 0.17 C ATOM 2300 CD LYS B 57 7.499 -16.099 1.430 1.00 0.47 C ATOM 2301 CE LYS B 57 7.930 -17.306 2.245 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.398 -17.269 3.636 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.264 -16.267 -1.271 1.00 0.09 H new ATOM 0 HA LYS B 57 6.031 -14.050 0.360 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.525 -15.350 -1.947 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.219 -14.380 -0.664 1.00 0.12 H new ATOM 0 HG2 LYS B 57 6.952 -17.126 -0.374 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.658 -16.742 -0.259 1.00 0.17 H new ATOM 0 HD2 LYS B 57 8.094 -15.232 1.718 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.459 -15.860 1.652 1.00 0.47 H new ATOM 0 HE2 LYS B 57 7.588 -18.216 1.752 1.00 0.23 H new ATOM 0 HE3 LYS B 57 9.019 -17.351 2.276 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.719 -18.113 4.153 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 7.745 -16.415 4.118 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 6.358 -17.253 3.610 1.00 0.62 H new ATOM 2316 N LEU B 58 5.445 -13.548 -2.837 1.00 0.07 N ATOM 2317 CA LEU B 58 5.237 -12.523 -3.855 1.00 0.11 C ATOM 2318 C LEU B 58 4.193 -11.515 -3.392 1.00 0.11 C ATOM 2319 O LEU B 58 4.336 -10.307 -3.603 1.00 0.14 O ATOM 2320 CB LEU B 58 4.781 -13.163 -5.169 1.00 0.14 C ATOM 2321 CG LEU B 58 4.679 -12.205 -6.358 1.00 0.16 C ATOM 2322 CD1 LEU B 58 6.024 -12.070 -7.051 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.608 -12.677 -7.331 1.00 0.27 C ATOM 0 H LEU B 58 5.211 -14.493 -3.141 1.00 0.07 H new ATOM 0 HA LEU B 58 6.183 -12.007 -4.016 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.476 -13.963 -5.426 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.807 -13.626 -5.011 1.00 0.14 H new ATOM 0 HG LEU B 58 4.391 -11.221 -5.988 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.932 -11.385 -7.894 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.759 -11.681 -6.346 1.00 0.17 H new ATOM 0 HD13 LEU B 58 6.347 -13.047 -7.411 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.549 -11.984 -8.171 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.863 -13.671 -7.698 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.645 -12.714 -6.822 1.00 0.27 H new ATOM 2335 N ALA B 59 3.147 -12.024 -2.752 1.00 0.08 N ATOM 2336 CA ALA B 59 2.070 -11.188 -2.246 1.00 0.09 C ATOM 2337 C ALA B 59 2.591 -10.202 -1.207 1.00 0.14 C ATOM 2338 O ALA B 59 2.233 -9.024 -1.220 1.00 0.31 O ATOM 2339 CB ALA B 59 0.968 -12.056 -1.662 1.00 0.07 C ATOM 0 H ALA B 59 3.023 -13.020 -2.571 1.00 0.08 H new ATOM 0 HA ALA B 59 1.658 -10.612 -3.075 1.00 0.09 H new ATOM 0 HB1 ALA B 59 0.166 -11.421 -1.286 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.576 -12.716 -2.436 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.371 -12.655 -0.845 1.00 0.07 H new ATOM 2345 N VAL B 60 3.463 -10.685 -0.326 1.00 0.02 N ATOM 2346 CA VAL B 60 4.044 -9.842 0.717 1.00 0.05 C ATOM 2347 C VAL B 60 4.948 -8.787 0.084 1.00 0.08 C ATOM 2348 O VAL B 60 4.951 -7.625 0.493 1.00 0.12 O ATOM 2349 CB VAL B 60 4.864 -10.662 1.744 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.451 -9.755 2.821 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.014 -11.755 2.384 1.00 0.13 C ATOM 0 H VAL B 60 3.783 -11.653 -0.313 1.00 0.02 H new ATOM 0 HA VAL B 60 3.218 -9.368 1.248 1.00 0.05 H new ATOM 0 HB VAL B 60 5.683 -11.137 1.204 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.022 -10.354 3.530 1.00 0.07 H new ATOM 0 HG12 VAL B 60 6.107 -9.018 2.358 1.00 0.07 H new ATOM 0 HG13 VAL B 60 4.644 -9.244 3.346 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.618 -12.313 3.100 1.00 0.13 H new ATOM 0 HG22 VAL B 60 3.167 -11.302 2.899 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.650 -12.432 1.611 1.00 0.13 H new ATOM 2361 N LEU B 61 5.702 -9.206 -0.927 1.00 0.08 N ATOM 2362 CA LEU B 61 6.602 -8.309 -1.641 1.00 0.11 C ATOM 2363 C LEU B 61 5.808 -7.184 -2.296 1.00 0.11 C ATOM 2364 O LEU B 61 6.179 -6.016 -2.213 1.00 0.13 O ATOM 2365 CB LEU B 61 7.383 -9.084 -2.706 1.00 0.13 C ATOM 2366 CG LEU B 61 8.338 -8.242 -3.555 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.707 -8.156 -2.901 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.446 -8.813 -4.961 1.00 0.17 C ATOM 0 H LEU B 61 5.707 -10.166 -1.271 1.00 0.08 H new ATOM 0 HA LEU B 61 7.306 -7.879 -0.929 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.956 -9.869 -2.214 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.672 -9.577 -3.369 1.00 0.13 H new ATOM 0 HG LEU B 61 7.934 -7.232 -3.626 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.370 -7.553 -3.522 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.612 -7.696 -1.918 1.00 0.17 H new ATOM 0 HD13 LEU B 61 10.123 -9.158 -2.794 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.129 -8.202 -5.551 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.824 -9.834 -4.911 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.462 -8.813 -5.430 1.00 0.17 H new ATOM 2380 N THR B 62 4.707 -7.550 -2.934 1.00 0.10 N ATOM 2381 CA THR B 62 3.846 -6.584 -3.591 1.00 0.09 C ATOM 2382 C THR B 62 3.290 -5.587 -2.578 1.00 0.09 C ATOM 2383 O THR B 62 3.261 -4.382 -2.828 1.00 0.08 O ATOM 2384 CB THR B 62 2.675 -7.280 -4.308 1.00 0.10 C ATOM 2385 OG1 THR B 62 3.171 -8.331 -5.147 1.00 0.18 O ATOM 2386 CG2 THR B 62 1.894 -6.281 -5.146 1.00 0.12 C ATOM 0 H THR B 62 4.389 -8.516 -3.010 1.00 0.10 H new ATOM 0 HA THR B 62 4.450 -6.057 -4.330 1.00 0.09 H new ATOM 0 HB THR B 62 2.010 -7.702 -3.555 1.00 0.10 H new ATOM 0 HG1 THR B 62 3.482 -9.075 -4.590 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.070 -6.791 -5.646 1.00 0.12 H new ATOM 0 HG22 THR B 62 1.498 -5.496 -4.501 1.00 0.12 H new ATOM 0 HG23 THR B 62 2.553 -5.839 -5.893 1.00 0.12 H new ATOM 2394 N ALA B 63 2.874 -6.106 -1.427 1.00 0.10 N ATOM 2395 CA ALA B 63 2.311 -5.286 -0.362 1.00 0.11 C ATOM 2396 C ALA B 63 3.274 -4.182 0.074 1.00 0.11 C ATOM 2397 O ALA B 63 2.884 -3.018 0.195 1.00 0.12 O ATOM 2398 CB ALA B 63 1.941 -6.162 0.827 1.00 0.10 C ATOM 0 H ALA B 63 2.918 -7.101 -1.208 1.00 0.10 H new ATOM 0 HA ALA B 63 1.414 -4.804 -0.751 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.521 -5.542 1.619 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.205 -6.904 0.517 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.832 -6.669 1.197 1.00 0.10 H new ATOM 2404 N VAL B 64 4.534 -4.541 0.288 1.00 0.09 N ATOM 2405 CA VAL B 64 5.528 -3.569 0.726 1.00 0.10 C ATOM 2406 C VAL B 64 5.929 -2.619 -0.403 1.00 0.12 C ATOM 2407 O VAL B 64 6.258 -1.455 -0.155 1.00 0.12 O ATOM 2408 CB VAL B 64 6.782 -4.252 1.331 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.599 -4.974 0.271 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.636 -3.234 2.068 1.00 0.11 C ATOM 0 H VAL B 64 4.890 -5.489 0.167 1.00 0.09 H new ATOM 0 HA VAL B 64 5.056 -2.980 1.513 1.00 0.10 H new ATOM 0 HB VAL B 64 6.439 -5.003 2.042 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.468 -5.439 0.736 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.986 -5.742 -0.201 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.929 -4.260 -0.483 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.512 -3.729 2.487 1.00 0.11 H new ATOM 0 HG22 VAL B 64 7.956 -2.457 1.374 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.054 -2.785 2.873 1.00 0.11 H new ATOM 2420 N GLN B 65 5.878 -3.098 -1.639 1.00 0.15 N ATOM 2421 CA GLN B 65 6.236 -2.267 -2.779 1.00 0.19 C ATOM 2422 C GLN B 65 5.146 -1.237 -3.055 1.00 0.13 C ATOM 2423 O GLN B 65 5.417 -0.159 -3.580 1.00 0.16 O ATOM 2424 CB GLN B 65 6.512 -3.125 -4.012 1.00 0.34 C ATOM 2425 CG GLN B 65 7.980 -3.518 -4.138 1.00 0.57 C ATOM 2426 CD GLN B 65 8.189 -4.745 -5.000 1.00 0.79 C ATOM 2427 OE1 GLN B 65 7.350 -5.638 -5.046 1.00 0.98 O ATOM 2428 NE2 GLN B 65 9.313 -4.790 -5.700 1.00 0.80 N ATOM 0 H GLN B 65 5.595 -4.049 -1.876 1.00 0.15 H new ATOM 0 HA GLN B 65 7.153 -1.729 -2.538 1.00 0.19 H new ATOM 0 HB2 GLN B 65 5.901 -4.027 -3.966 1.00 0.34 H new ATOM 0 HB3 GLN B 65 6.208 -2.579 -4.905 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.539 -2.683 -4.561 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.388 -3.704 -3.144 1.00 0.57 H new ATOM 0 HE21 GLN B 65 9.986 -4.026 -5.634 1.00 0.80 H new ATOM 0 HE22 GLN B 65 9.505 -5.588 -6.305 1.00 0.80 H new ATOM 2437 N ILE B 66 3.908 -1.577 -2.717 1.00 0.15 N ATOM 2438 CA ILE B 66 2.796 -0.650 -2.890 1.00 0.16 C ATOM 2439 C ILE B 66 2.807 0.376 -1.758 1.00 0.11 C ATOM 2440 O ILE B 66 2.589 1.569 -1.981 1.00 0.27 O ATOM 2441 CB ILE B 66 1.429 -1.380 -2.912 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.325 -2.265 -4.159 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.282 -0.373 -2.870 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.106 -3.166 -4.174 1.00 1.38 C ATOM 0 H ILE B 66 3.649 -2.482 -2.324 1.00 0.15 H new ATOM 0 HA ILE B 66 2.924 -0.154 -3.852 1.00 0.16 H new ATOM 0 HB ILE B 66 1.357 -2.013 -2.028 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.305 -1.628 -5.043 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.221 -2.882 -4.231 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.670 -0.904 -2.886 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.351 0.219 -1.958 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.344 0.286 -3.736 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.104 -3.760 -5.088 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.133 -3.830 -3.310 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.797 -2.557 -4.135 1.00 1.38 H new ATOM 2456 N ALA B 67 3.082 -0.105 -0.547 1.00 0.16 N ATOM 2457 CA ALA B 67 3.130 0.744 0.639 1.00 0.13 C ATOM 2458 C ALA B 67 4.139 1.878 0.478 1.00 0.06 C ATOM 2459 O ALA B 67 3.832 3.035 0.761 1.00 0.09 O ATOM 2460 CB ALA B 67 3.473 -0.089 1.865 1.00 0.16 C ATOM 0 H ALA B 67 3.277 -1.089 -0.362 1.00 0.16 H new ATOM 0 HA ALA B 67 2.144 1.190 0.769 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.506 0.554 2.744 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.714 -0.858 2.006 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.445 -0.561 1.724 1.00 0.16 H new ATOM 2466 N SER B 68 5.336 1.541 0.011 1.00 0.08 N ATOM 2467 CA SER B 68 6.393 2.529 -0.177 1.00 0.06 C ATOM 2468 C SER B 68 5.995 3.567 -1.223 1.00 0.16 C ATOM 2469 O SER B 68 6.280 4.756 -1.070 1.00 0.21 O ATOM 2470 CB SER B 68 7.693 1.834 -0.587 1.00 0.06 C ATOM 2471 OG SER B 68 7.424 0.662 -1.336 1.00 0.28 O ATOM 0 H SER B 68 5.599 0.589 -0.245 1.00 0.08 H new ATOM 0 HA SER B 68 6.549 3.047 0.769 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.304 2.516 -1.178 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.270 1.578 0.302 1.00 0.06 H new ATOM 0 HG SER B 68 7.245 -0.083 -0.725 1.00 0.28 H new ATOM 2477 N GLU B 69 5.312 3.108 -2.266 1.00 0.26 N ATOM 2478 CA GLU B 69 4.868 3.977 -3.348 1.00 0.35 C ATOM 2479 C GLU B 69 3.971 5.104 -2.845 1.00 0.24 C ATOM 2480 O GLU B 69 4.080 6.243 -3.305 1.00 0.18 O ATOM 2481 CB GLU B 69 4.124 3.160 -4.403 1.00 0.52 C ATOM 2482 CG GLU B 69 5.048 2.390 -5.329 1.00 0.44 C ATOM 2483 CD GLU B 69 5.218 3.071 -6.664 1.00 1.20 C ATOM 2484 OE1 GLU B 69 5.706 4.219 -6.693 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 4.848 2.463 -7.693 1.00 1.71 O ATOM 0 H GLU B 69 5.052 2.129 -2.384 1.00 0.26 H new ATOM 0 HA GLU B 69 5.756 4.430 -3.788 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.455 2.459 -3.904 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.501 3.828 -4.997 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.023 2.277 -4.854 1.00 0.44 H new ATOM 0 HG3 GLU B 69 4.651 1.387 -5.483 1.00 0.44 H new ATOM 2492 N TYR B 70 3.100 4.789 -1.898 1.00 0.23 N ATOM 2493 CA TYR B 70 2.176 5.777 -1.355 1.00 0.15 C ATOM 2494 C TYR B 70 2.751 6.493 -0.138 1.00 0.08 C ATOM 2495 O TYR B 70 2.430 7.656 0.116 1.00 0.12 O ATOM 2496 CB TYR B 70 0.849 5.112 -1.002 1.00 0.24 C ATOM 2497 CG TYR B 70 0.004 4.796 -2.214 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.155 3.595 -2.899 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.933 5.707 -2.686 1.00 0.57 C ATOM 2500 CE1 TYR B 70 -0.607 3.312 -4.018 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.694 5.432 -3.806 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.528 4.234 -4.468 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.280 3.965 -5.592 1.00 0.59 O ATOM 0 H TYR B 70 3.013 3.859 -1.489 1.00 0.23 H new ATOM 0 HA TYR B 70 2.011 6.531 -2.124 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.046 4.191 -0.453 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.287 5.766 -0.335 1.00 0.24 H new ATOM 0 HD1 TYR B 70 0.878 2.872 -2.552 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -1.069 6.645 -2.169 1.00 0.57 H new ATOM 0 HE1 TYR B 70 -0.481 2.373 -4.537 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.416 6.152 -4.161 1.00 0.56 H new ATOM 0 HH TYR B 70 -2.417 2.998 -5.670 1.00 0.59 H new ATOM 2513 N LEU B 71 3.607 5.813 0.610 1.00 0.09 N ATOM 2514 CA LEU B 71 4.211 6.410 1.797 1.00 0.17 C ATOM 2515 C LEU B 71 5.202 7.502 1.411 1.00 0.22 C ATOM 2516 O LEU B 71 5.528 8.369 2.220 1.00 0.26 O ATOM 2517 CB LEU B 71 4.891 5.350 2.671 1.00 0.24 C ATOM 2518 CG LEU B 71 4.043 4.860 3.860 1.00 0.27 C ATOM 2519 CD1 LEU B 71 4.554 3.532 4.409 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.010 5.904 4.971 1.00 0.32 C ATOM 0 H LEU B 71 3.899 4.854 0.420 1.00 0.09 H new ATOM 0 HA LEU B 71 3.410 6.863 2.382 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.148 4.494 2.047 1.00 0.24 H new ATOM 0 HB3 LEU B 71 5.827 5.758 3.053 1.00 0.24 H new ATOM 0 HG LEU B 71 3.030 4.705 3.489 1.00 0.27 H new ATOM 0 HD11 LEU B 71 3.930 3.220 5.246 1.00 0.32 H new ATOM 0 HD12 LEU B 71 4.515 2.775 3.626 1.00 0.32 H new ATOM 0 HD13 LEU B 71 5.583 3.650 4.748 1.00 0.32 H new ATOM 0 HD21 LEU B 71 3.405 5.535 5.799 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.025 6.096 5.320 1.00 0.32 H new ATOM 0 HD23 LEU B 71 3.577 6.828 4.589 1.00 0.32 H new ATOM 2532 N LYS B 72 5.684 7.453 0.177 1.00 0.23 N ATOM 2533 CA LYS B 72 6.619 8.457 -0.315 1.00 0.27 C ATOM 2534 C LYS B 72 5.854 9.646 -0.897 1.00 0.24 C ATOM 2535 O LYS B 72 6.436 10.676 -1.232 1.00 0.29 O ATOM 2536 CB LYS B 72 7.551 7.851 -1.371 1.00 0.31 C ATOM 2537 CG LYS B 72 6.884 7.602 -2.717 1.00 0.38 C ATOM 2538 CD LYS B 72 7.713 6.676 -3.598 1.00 0.40 C ATOM 2539 CE LYS B 72 7.428 6.896 -5.078 1.00 0.52 C ATOM 2540 NZ LYS B 72 6.017 6.587 -5.445 1.00 0.58 N1+ ATOM 0 H LYS B 72 5.444 6.730 -0.501 1.00 0.23 H new ATOM 0 HA LYS B 72 7.228 8.806 0.519 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.401 8.518 -1.516 1.00 0.31 H new ATOM 0 HB3 LYS B 72 7.947 6.908 -0.993 1.00 0.31 H new ATOM 0 HG2 LYS B 72 5.898 7.166 -2.558 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.734 8.552 -3.229 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.773 6.842 -3.404 1.00 0.40 H new ATOM 0 HD3 LYS B 72 7.500 5.639 -3.337 1.00 0.40 H new ATOM 0 HE2 LYS B 72 7.647 7.932 -5.336 1.00 0.52 H new ATOM 0 HE3 LYS B 72 8.098 6.272 -5.669 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 5.992 5.733 -6.038 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 5.461 6.425 -4.581 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 5.612 7.387 -5.972 1.00 0.58 H new ATOM 2554 N LEU B 73 4.540 9.493 -1.006 1.00 0.17 N ATOM 2555 CA LEU B 73 3.686 10.540 -1.546 1.00 0.14 C ATOM 2556 C LEU B 73 3.233 11.475 -0.426 1.00 0.11 C ATOM 2557 O LEU B 73 3.265 12.699 -0.572 1.00 0.09 O ATOM 2558 CB LEU B 73 2.473 9.905 -2.254 1.00 0.13 C ATOM 2559 CG LEU B 73 1.732 10.761 -3.299 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.900 11.850 -2.637 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.696 11.363 -4.316 1.00 0.15 C ATOM 0 H LEU B 73 4.042 8.648 -0.725 1.00 0.17 H new ATOM 0 HA LEU B 73 4.247 11.126 -2.274 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.810 8.992 -2.745 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.754 9.610 -1.490 1.00 0.13 H new ATOM 0 HG LEU B 73 1.053 10.096 -3.834 1.00 0.12 H new ATOM 0 HD11 LEU B 73 0.391 12.435 -3.403 1.00 0.08 H new ATOM 0 HD12 LEU B 73 0.161 11.394 -1.978 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.551 12.502 -2.055 1.00 0.08 H new ATOM 0 HD21 LEU B 73 2.138 11.960 -5.037 1.00 0.15 H new ATOM 0 HD22 LEU B 73 3.418 11.997 -3.802 1.00 0.15 H new ATOM 0 HD23 LEU B 73 3.222 10.563 -4.837 1.00 0.15 H new ATOM 2573 N LYS B 74 2.829 10.891 0.698 1.00 0.11 N ATOM 2574 CA LYS B 74 2.368 11.671 1.846 1.00 0.10 C ATOM 2575 C LYS B 74 3.503 12.512 2.439 1.00 0.13 C ATOM 2576 O LYS B 74 3.257 13.499 3.132 1.00 0.13 O ATOM 2577 CB LYS B 74 1.760 10.753 2.917 1.00 0.12 C ATOM 2578 CG LYS B 74 2.740 9.750 3.519 1.00 0.20 C ATOM 2579 CD LYS B 74 3.053 10.069 4.976 1.00 0.28 C ATOM 2580 CE LYS B 74 1.923 9.648 5.905 1.00 0.32 C ATOM 2581 NZ LYS B 74 2.211 10.001 7.321 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.811 9.881 0.840 1.00 0.11 H new ATOM 0 HA LYS B 74 1.594 12.353 1.495 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.353 11.370 3.718 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.924 10.207 2.479 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.322 8.746 3.449 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.664 9.752 2.940 1.00 0.20 H new ATOM 0 HD2 LYS B 74 3.972 9.562 5.269 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.231 11.139 5.083 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.997 10.129 5.592 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.767 8.572 5.823 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 1.418 9.698 7.922 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.081 9.522 7.628 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 2.335 11.030 7.404 1.00 0.43 H new ATOM 2595 N GLU B 75 4.739 12.119 2.157 1.00 0.17 N ATOM 2596 CA GLU B 75 5.901 12.846 2.650 1.00 0.20 C ATOM 2597 C GLU B 75 5.962 14.225 1.994 1.00 0.16 C ATOM 2598 O GLU B 75 6.080 15.246 2.677 1.00 0.20 O ATOM 2599 CB GLU B 75 7.176 12.045 2.360 1.00 0.27 C ATOM 2600 CG GLU B 75 8.444 12.670 2.923 1.00 0.36 C ATOM 2601 CD GLU B 75 8.430 12.790 4.434 1.00 0.45 C ATOM 2602 OE1 GLU B 75 8.390 11.753 5.123 1.00 0.55 O ATOM 2603 OE2 GLU B 75 8.467 13.929 4.941 1.00 0.44 O1- ATOM 0 H GLU B 75 4.962 11.301 1.590 1.00 0.17 H new ATOM 0 HA GLU B 75 5.818 12.980 3.729 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.064 11.042 2.772 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.286 11.935 1.281 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.302 12.070 2.620 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.578 13.660 2.487 1.00 0.36 H new ATOM 2610 N GLU B 76 5.839 14.239 0.666 1.00 0.13 N ATOM 2611 CA GLU B 76 5.868 15.474 -0.114 1.00 0.11 C ATOM 2612 C GLU B 76 4.775 16.433 0.354 1.00 0.08 C ATOM 2613 O GLU B 76 4.999 17.641 0.467 1.00 0.08 O ATOM 2614 CB GLU B 76 5.687 15.155 -1.605 1.00 0.17 C ATOM 2615 CG GLU B 76 5.568 16.389 -2.494 1.00 0.18 C ATOM 2616 CD GLU B 76 6.908 17.030 -2.809 1.00 0.21 C ATOM 2617 OE1 GLU B 76 7.875 16.810 -2.051 1.00 0.20 O ATOM 2618 OE2 GLU B 76 6.999 17.754 -3.825 1.00 0.34 O1- ATOM 0 H GLU B 76 5.717 13.397 0.104 1.00 0.13 H new ATOM 0 HA GLU B 76 6.834 15.956 0.034 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.533 14.557 -1.943 1.00 0.17 H new ATOM 0 HB3 GLU B 76 4.794 14.543 -1.729 1.00 0.17 H new ATOM 0 HG2 GLU B 76 5.077 16.111 -3.427 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.928 17.122 -2.003 1.00 0.18 H new ATOM 2625 N TYR B 77 3.600 15.874 0.641 1.00 0.07 N ATOM 2626 CA TYR B 77 2.446 16.648 1.095 1.00 0.11 C ATOM 2627 C TYR B 77 2.815 17.587 2.245 1.00 0.13 C ATOM 2628 O TYR B 77 2.537 18.785 2.191 1.00 0.22 O ATOM 2629 CB TYR B 77 1.316 15.693 1.514 1.00 0.13 C ATOM 2630 CG TYR B 77 0.111 16.364 2.154 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.346 17.601 1.717 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.573 15.747 3.195 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.446 18.204 2.299 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.674 16.343 3.781 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.106 17.570 3.330 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.199 18.170 3.916 1.00 0.23 O ATOM 0 H TYR B 77 3.422 14.873 0.565 1.00 0.07 H new ATOM 0 HA TYR B 77 2.103 17.270 0.268 1.00 0.11 H new ATOM 0 HB2 TYR B 77 0.982 15.142 0.635 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.720 14.962 2.214 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.167 18.101 0.908 1.00 0.12 H new ATOM 0 HD2 TYR B 77 -0.238 14.784 3.552 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -1.786 19.167 1.948 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -2.193 15.848 4.589 1.00 0.25 H new ATOM 0 HH TYR B 77 -3.549 17.591 4.625 1.00 0.23 H new ATOM 2646 N GLN B 78 3.464 17.054 3.266 1.00 0.22 N ATOM 2647 CA GLN B 78 3.841 17.857 4.423 1.00 0.30 C ATOM 2648 C GLN B 78 5.010 18.791 4.118 1.00 0.37 C ATOM 2649 O GLN B 78 5.085 19.891 4.664 1.00 0.84 O ATOM 2650 CB GLN B 78 4.195 16.955 5.600 1.00 0.28 C ATOM 2651 CG GLN B 78 3.016 16.152 6.123 1.00 0.17 C ATOM 2652 CD GLN B 78 3.179 15.746 7.574 1.00 0.26 C ATOM 2653 OE1 GLN B 78 3.694 16.651 8.393 1.00 0.53 O flip ATOM 2654 NE2 GLN B 78 2.825 14.632 7.958 1.00 0.24 N flip ATOM 0 H GLN B 78 3.741 16.074 3.320 1.00 0.22 H new ATOM 0 HA GLN B 78 2.981 18.475 4.681 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.986 16.269 5.297 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.596 17.566 6.409 1.00 0.28 H new ATOM 0 HG2 GLN B 78 2.105 16.741 6.015 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.892 15.258 5.512 1.00 0.17 H new ATOM 0 HE21 GLN B 78 2.433 13.964 7.294 1.00 0.24 H new ATOM 0 HE22 GLN B 78 2.923 14.376 8.940 1.00 0.24 H new ATOM 2663 N ARG B 79 5.903 18.360 3.234 1.00 0.28 N ATOM 2664 CA ARG B 79 7.079 19.155 2.884 1.00 0.30 C ATOM 2665 C ARG B 79 6.705 20.429 2.129 1.00 0.27 C ATOM 2666 O ARG B 79 7.143 21.523 2.485 1.00 0.23 O ATOM 2667 CB ARG B 79 8.056 18.327 2.045 1.00 0.34 C ATOM 2668 CG ARG B 79 8.581 17.086 2.754 1.00 0.63 C ATOM 2669 CD ARG B 79 9.293 17.433 4.052 1.00 0.85 C ATOM 2670 NE ARG B 79 9.717 16.233 4.773 1.00 1.45 N ATOM 2671 CZ ARG B 79 10.765 16.173 5.588 1.00 1.28 C ATOM 2672 NH1 ARG B 79 11.485 17.262 5.839 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 11.075 15.019 6.169 1.00 2.05 N ATOM 0 H ARG B 79 5.837 17.467 2.746 1.00 0.28 H new ATOM 0 HA ARG B 79 7.558 19.447 3.819 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.561 18.024 1.122 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.900 18.956 1.762 1.00 0.34 H new ATOM 0 HG2 ARG B 79 7.752 16.410 2.964 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.267 16.554 2.095 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.162 18.054 3.836 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.630 18.023 4.685 1.00 0.85 H new ATOM 0 HE ARG B 79 9.170 15.382 4.641 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.234 18.150 5.405 1.00 0.73 H new ATOM 0 HH12 ARG B 79 12.288 17.209 6.466 1.00 0.73 H new ATOM 0 HH21 ARG B 79 10.510 14.189 5.988 1.00 2.05 H new ATOM 0 HH22 ARG B 79 11.878 14.963 6.796 1.00 2.05 H new ATOM 2687 N LEU B 80 5.885 20.299 1.099 1.00 0.30 N ATOM 2688 CA LEU B 80 5.493 21.456 0.300 1.00 0.28 C ATOM 2689 C LEU B 80 4.536 22.370 1.067 1.00 0.23 C ATOM 2690 O LEU B 80 4.467 23.572 0.802 1.00 0.28 O ATOM 2691 CB LEU B 80 4.864 21.012 -1.025 1.00 0.31 C ATOM 2692 CG LEU B 80 3.371 20.652 -0.964 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.527 21.712 -1.660 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.119 19.285 -1.583 1.00 0.44 C ATOM 0 H LEU B 80 5.479 19.414 0.796 1.00 0.30 H new ATOM 0 HA LEU B 80 6.396 22.026 0.083 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.997 21.810 -1.755 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.413 20.146 -1.395 1.00 0.31 H new ATOM 0 HG LEU B 80 3.079 20.615 0.085 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.475 21.434 -1.603 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.675 22.674 -1.170 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.826 21.787 -2.705 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.056 19.051 -1.529 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.436 19.294 -2.626 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.685 18.529 -1.038 1.00 0.44 H new ATOM 2706 N ARG B 81 3.809 21.806 2.023 1.00 0.20 N ATOM 2707 CA ARG B 81 2.860 22.584 2.806 1.00 0.15 C ATOM 2708 C ARG B 81 3.571 23.414 3.868 1.00 0.15 C ATOM 2709 O ARG B 81 3.198 24.563 4.110 1.00 0.43 O ATOM 2710 CB ARG B 81 1.806 21.676 3.442 1.00 0.22 C ATOM 2711 CG ARG B 81 0.721 21.249 2.465 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.587 21.982 2.715 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.390 23.419 2.905 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.155 24.182 3.690 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.148 23.639 4.386 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -0.903 25.482 3.809 1.00 2.12 N ATOM 0 H ARG B 81 3.858 20.818 2.273 1.00 0.20 H new ATOM 0 HA ARG B 81 2.354 23.272 2.129 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.294 20.789 3.845 1.00 0.22 H new ATOM 0 HB3 ARG B 81 1.346 22.196 4.283 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.055 21.440 1.445 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.557 20.175 2.551 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.260 21.818 1.873 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.072 21.564 3.597 1.00 0.65 H new ATOM 0 HE ARG B 81 0.380 23.866 2.407 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.328 22.637 4.322 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.731 24.224 4.985 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -0.124 25.899 3.300 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -1.489 26.062 4.409 1.00 2.12 H new