USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ -153:sc=-0.000603 (180deg=-0.817) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -4.4 F(o=-5.7!,f=-4.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.86 F(o=-2.5!,f=-1.9) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.0833 F(o=-1.2,f=-0.083) USER MOD Single : A 41 SER OG : rot -69:sc= 0.627 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= -0.506 (180deg=-1.59!) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.155 (180deg=-0.644) USER MOD Single : A 64 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.13) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -51:sc= 0.123 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N GLU A 8 -6.160 18.454 -13.731 1.00 0.00 N ATOM 132 CA GLU A 8 -4.727 18.224 -13.555 1.00 0.00 C ATOM 133 C GLU A 8 -4.001 18.192 -14.905 1.00 0.00 C ATOM 134 O GLU A 8 -4.619 18.393 -15.952 1.00 0.00 O ATOM 135 CB GLU A 8 -4.502 16.912 -12.794 1.00 0.00 C ATOM 136 CG GLU A 8 -4.308 17.087 -11.291 1.00 0.00 C ATOM 137 CD GLU A 8 -2.975 17.726 -10.931 1.00 0.00 C ATOM 138 OE1 GLU A 8 -2.224 17.123 -10.135 1.00 0.00 O ATOM 139 OE2 GLU A 8 -2.684 18.828 -11.440 1.00 0.00 O ATOM 0 HA GLU A 8 -4.314 19.050 -12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.355 16.255 -12.965 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.626 16.411 -13.206 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.117 17.701 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.380 16.114 -10.806 1.00 0.00 H new ATOM 146 N THR A 9 -2.683 17.948 -14.873 1.00 0.00 N ATOM 147 CA THR A 9 -1.876 17.904 -16.089 1.00 0.00 C ATOM 148 C THR A 9 -1.129 16.568 -16.229 1.00 0.00 C ATOM 149 O THR A 9 -1.564 15.690 -16.977 1.00 0.00 O ATOM 150 CB THR A 9 -0.891 19.083 -16.114 1.00 0.00 C ATOM 151 OG1 THR A 9 0.009 19.013 -15.021 1.00 0.00 O ATOM 152 CG2 THR A 9 -1.574 20.432 -16.055 1.00 0.00 C ATOM 0 H THR A 9 -2.158 17.779 -14.015 1.00 0.00 H new ATOM 0 HA THR A 9 -2.551 17.988 -16.941 1.00 0.00 H new ATOM 0 HB THR A 9 -0.365 18.997 -17.065 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.628 19.772 -15.058 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.823 21.221 -16.076 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.239 20.541 -16.912 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.153 20.507 -15.135 1.00 0.00 H new ATOM 160 N ASP A 10 -0.007 16.418 -15.513 1.00 0.00 N ATOM 161 CA ASP A 10 0.791 15.187 -15.571 1.00 0.00 C ATOM 162 C ASP A 10 0.415 14.244 -14.429 1.00 0.00 C ATOM 163 O ASP A 10 0.786 14.475 -13.276 1.00 0.00 O ATOM 164 CB ASP A 10 2.291 15.507 -15.512 1.00 0.00 C ATOM 165 CG ASP A 10 2.687 16.636 -16.446 1.00 0.00 C ATOM 166 OD1 ASP A 10 2.686 16.417 -17.676 1.00 0.00 O ATOM 167 OD2 ASP A 10 2.996 17.739 -15.948 1.00 0.00 O ATOM 0 H ASP A 10 0.368 17.132 -14.888 1.00 0.00 H new ATOM 0 HA ASP A 10 0.576 14.693 -16.519 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.561 15.775 -14.490 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.859 14.613 -15.768 1.00 0.00 H new ATOM 172 N CYS A 11 -0.331 13.187 -14.757 1.00 0.00 N ATOM 173 CA CYS A 11 -0.776 12.211 -13.759 1.00 0.00 C ATOM 174 C CYS A 11 -0.188 10.827 -14.033 1.00 0.00 C ATOM 175 O CYS A 11 0.415 10.222 -13.146 1.00 0.00 O ATOM 176 CB CYS A 11 -2.304 12.139 -13.752 1.00 0.00 C ATOM 177 SG CYS A 11 -3.124 13.747 -13.512 1.00 0.00 S ATOM 0 H CYS A 11 -0.640 12.985 -15.708 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.421 12.538 -12.782 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.641 11.709 -14.695 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.621 11.460 -12.961 1.00 0.00 H new ATOM 182 N SER A 12 -0.364 10.329 -15.262 1.00 0.00 N ATOM 183 CA SER A 12 0.161 9.012 -15.634 1.00 0.00 C ATOM 184 C SER A 12 1.679 8.967 -15.496 1.00 0.00 C ATOM 185 O SER A 12 2.254 7.907 -15.249 1.00 0.00 O ATOM 186 CB SER A 12 -0.221 8.644 -17.061 1.00 0.00 C ATOM 187 OG SER A 12 -1.627 8.620 -17.232 1.00 0.00 O ATOM 0 H SER A 12 -0.861 10.813 -16.009 1.00 0.00 H new ATOM 0 HA SER A 12 -0.284 8.289 -14.950 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.219 9.362 -17.753 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.194 7.667 -17.309 1.00 0.00 H new ATOM 0 HG SER A 12 -1.840 8.382 -18.159 1.00 0.00 H new ATOM 193 N GLU A 13 2.319 10.125 -15.651 1.00 0.00 N ATOM 194 CA GLU A 13 3.769 10.222 -15.534 1.00 0.00 C ATOM 195 C GLU A 13 4.203 9.877 -14.118 1.00 0.00 C ATOM 196 O GLU A 13 5.176 9.153 -13.923 1.00 0.00 O ATOM 197 CB GLU A 13 4.258 11.618 -15.914 1.00 0.00 C ATOM 198 CG GLU A 13 3.935 12.015 -17.347 1.00 0.00 C ATOM 199 CD GLU A 13 4.857 13.095 -17.881 1.00 0.00 C ATOM 200 OE1 GLU A 13 5.873 12.746 -18.519 1.00 0.00 O ATOM 201 OE2 GLU A 13 4.563 14.289 -17.661 1.00 0.00 O ATOM 0 H GLU A 13 1.854 11.009 -15.858 1.00 0.00 H new ATOM 0 HA GLU A 13 4.216 9.508 -16.226 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.812 12.346 -15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.337 11.667 -15.768 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.005 11.135 -17.987 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.904 12.366 -17.398 1.00 0.00 H new ATOM 208 N ILE A 14 3.446 10.361 -13.129 1.00 0.00 N ATOM 209 CA ILE A 14 3.740 10.055 -11.731 1.00 0.00 C ATOM 210 C ILE A 14 3.779 8.564 -11.573 1.00 0.00 C ATOM 211 O ILE A 14 4.716 8.028 -10.984 1.00 0.00 O ATOM 212 CB ILE A 14 2.706 10.664 -10.749 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.936 12.177 -10.605 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.776 9.964 -9.388 1.00 0.00 C ATOM 215 CD1 ILE A 14 2.025 12.856 -9.601 1.00 0.00 C ATOM 0 H ILE A 14 2.633 10.961 -13.271 1.00 0.00 H new ATOM 0 HA ILE A 14 4.702 10.503 -11.482 1.00 0.00 H new ATOM 0 HB ILE A 14 1.706 10.508 -11.153 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.972 12.348 -10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.798 12.647 -11.579 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.043 10.406 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.561 8.903 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.775 10.085 -8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.255 13.921 -9.563 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.986 12.720 -9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.178 12.416 -8.615 1.00 0.00 H new ATOM 227 N LEU A 15 2.808 7.875 -12.164 1.00 0.00 N ATOM 228 CA LEU A 15 2.816 6.433 -12.128 1.00 0.00 C ATOM 229 C LEU A 15 4.088 6.004 -12.834 1.00 0.00 C ATOM 230 O LEU A 15 4.918 5.299 -12.258 1.00 0.00 O ATOM 231 CB LEU A 15 1.567 5.846 -12.819 1.00 0.00 C ATOM 232 CG LEU A 15 0.367 6.806 -12.969 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.751 6.152 -13.773 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.145 7.285 -11.609 1.00 0.00 C ATOM 0 H LEU A 15 2.022 8.291 -12.663 1.00 0.00 H new ATOM 0 HA LEU A 15 2.790 6.065 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.854 5.497 -13.811 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.240 4.972 -12.255 1.00 0.00 H new ATOM 0 HG LEU A 15 0.713 7.684 -13.515 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.586 6.846 -13.866 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.382 5.893 -14.765 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.085 5.249 -13.263 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.989 7.959 -11.755 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.463 6.427 -11.017 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.653 7.811 -11.085 1.00 0.00 H new ATOM 246 N ASP A 16 4.228 6.439 -14.097 1.00 0.00 N ATOM 247 CA ASP A 16 5.399 6.117 -14.909 1.00 0.00 C ATOM 248 C ASP A 16 6.694 6.122 -14.096 1.00 0.00 C ATOM 249 O ASP A 16 7.579 5.308 -14.368 1.00 0.00 O ATOM 250 CB ASP A 16 5.509 7.090 -16.086 1.00 0.00 C ATOM 251 CG ASP A 16 6.448 6.594 -17.171 1.00 0.00 C ATOM 252 OD1 ASP A 16 5.986 5.854 -18.065 1.00 0.00 O ATOM 253 OD2 ASP A 16 7.646 6.946 -17.126 1.00 0.00 O ATOM 0 H ASP A 16 3.537 7.018 -14.574 1.00 0.00 H new ATOM 0 HA ASP A 16 5.261 5.103 -15.285 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.519 7.250 -16.513 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.859 8.056 -15.722 1.00 0.00 H new ATOM 258 N HIS A 17 6.817 6.985 -13.067 1.00 0.00 N ATOM 259 CA HIS A 17 8.021 6.962 -12.251 1.00 0.00 C ATOM 260 C HIS A 17 7.932 5.766 -11.320 1.00 0.00 C ATOM 261 O HIS A 17 8.780 4.885 -11.345 1.00 0.00 O ATOM 262 CB HIS A 17 8.222 8.231 -11.391 1.00 0.00 C ATOM 263 CG HIS A 17 7.669 9.510 -11.943 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.520 9.960 -13.210 1.00 0.00 N flip ATOM 265 CD2 HIS A 17 7.231 10.529 -11.125 1.00 0.00 C flip ATOM 266 CE1 HIS A 17 7.003 11.232 -13.131 1.00 0.00 C flip ATOM 267 NE2 HIS A 17 6.838 11.549 -11.861 1.00 0.00 N flip ATOM 0 H HIS A 17 6.119 7.678 -12.797 1.00 0.00 H new ATOM 0 HA HIS A 17 8.869 6.907 -12.933 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.768 8.057 -10.415 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.291 8.365 -11.226 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.213 10.497 -10.046 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.770 11.868 -13.972 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.469 12.432 -11.509 1.00 0.00 H new ATOM 276 N LEU A 18 6.882 5.743 -10.497 1.00 0.00 N ATOM 277 CA LEU A 18 6.681 4.643 -9.540 1.00 0.00 C ATOM 278 C LEU A 18 6.984 3.267 -10.133 1.00 0.00 C ATOM 279 O LEU A 18 7.294 2.339 -9.397 1.00 0.00 O ATOM 280 CB LEU A 18 5.267 4.659 -8.974 1.00 0.00 C ATOM 281 CG LEU A 18 5.056 5.667 -7.850 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.426 6.936 -8.400 1.00 0.00 C ATOM 283 CD2 LEU A 18 4.223 5.073 -6.723 1.00 0.00 C ATOM 0 H LEU A 18 6.161 6.464 -10.470 1.00 0.00 H new ATOM 0 HA LEU A 18 7.397 4.815 -8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.567 4.879 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.024 3.663 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 18 6.027 5.922 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.279 7.650 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.083 7.372 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.463 6.698 -8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.091 5.817 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.248 4.776 -7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.733 4.201 -6.314 1.00 0.00 H new ATOM 295 N TYR A 19 6.904 3.127 -11.452 1.00 0.00 N ATOM 296 CA TYR A 19 7.202 1.851 -12.084 1.00 0.00 C ATOM 297 C TYR A 19 8.692 1.744 -12.373 1.00 0.00 C ATOM 298 O TYR A 19 9.413 0.984 -11.733 1.00 0.00 O ATOM 299 CB TYR A 19 6.415 1.689 -13.387 1.00 0.00 C ATOM 300 CG TYR A 19 6.139 0.244 -13.751 1.00 0.00 C ATOM 301 CD1 TYR A 19 4.884 -0.341 -13.566 1.00 0.00 C ATOM 302 CD2 TYR A 19 7.155 -0.541 -14.280 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.664 -1.664 -13.902 1.00 0.00 C ATOM 304 CE2 TYR A 19 6.942 -1.859 -14.617 1.00 0.00 C ATOM 305 CZ TYR A 19 5.695 -2.418 -14.426 1.00 0.00 C ATOM 306 OH TYR A 19 5.478 -3.736 -14.762 1.00 0.00 O ATOM 0 H TYR A 19 6.639 3.872 -12.096 1.00 0.00 H new ATOM 0 HA TYR A 19 6.907 1.058 -11.397 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.467 2.220 -13.298 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.970 2.160 -14.198 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.076 0.247 -13.156 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.133 -0.109 -14.430 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.690 -2.106 -13.755 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.746 -2.451 -15.028 1.00 0.00 H new ATOM 0 HH TYR A 19 6.305 -4.123 -15.118 1.00 0.00 H new ATOM 316 N GLU A 20 9.131 2.517 -13.357 1.00 0.00 N ATOM 317 CA GLU A 20 10.542 2.526 -13.772 1.00 0.00 C ATOM 318 C GLU A 20 11.456 3.101 -12.681 1.00 0.00 C ATOM 319 O GLU A 20 12.621 2.723 -12.567 1.00 0.00 O ATOM 320 CB GLU A 20 10.721 3.341 -15.059 1.00 0.00 C ATOM 321 CG GLU A 20 9.709 3.019 -16.149 1.00 0.00 C ATOM 322 CD GLU A 20 9.912 1.642 -16.756 1.00 0.00 C ATOM 323 OE1 GLU A 20 9.034 0.774 -16.569 1.00 0.00 O ATOM 324 OE2 GLU A 20 10.949 1.434 -17.422 1.00 0.00 O ATOM 0 H GLU A 20 8.534 3.151 -13.889 1.00 0.00 H new ATOM 0 HA GLU A 20 10.827 1.489 -13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.651 4.401 -14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.724 3.168 -15.448 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.703 3.083 -15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.778 3.771 -16.935 1.00 0.00 H new ATOM 331 N PHE A 21 10.915 4.019 -11.890 1.00 0.00 N ATOM 332 CA PHE A 21 11.656 4.666 -10.805 1.00 0.00 C ATOM 333 C PHE A 21 11.863 3.696 -9.646 1.00 0.00 C ATOM 334 O PHE A 21 12.968 3.515 -9.139 1.00 0.00 O ATOM 335 CB PHE A 21 10.870 5.891 -10.285 1.00 0.00 C ATOM 336 CG PHE A 21 11.716 6.972 -9.675 1.00 0.00 C ATOM 337 CD1 PHE A 21 11.394 7.481 -8.427 1.00 0.00 C ATOM 338 CD2 PHE A 21 12.819 7.481 -10.340 1.00 0.00 C ATOM 339 CE1 PHE A 21 12.157 8.480 -7.854 1.00 0.00 C ATOM 340 CE2 PHE A 21 13.588 8.480 -9.771 1.00 0.00 C ATOM 341 CZ PHE A 21 13.256 8.980 -8.526 1.00 0.00 C ATOM 0 H PHE A 21 9.951 4.339 -11.979 1.00 0.00 H new ATOM 0 HA PHE A 21 12.624 4.980 -11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.302 6.317 -11.112 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.147 5.552 -9.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.537 7.092 -7.897 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.082 7.094 -11.313 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.895 8.870 -6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.446 8.869 -10.299 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.854 9.760 -8.079 1.00 0.00 H new ATOM 351 N LEU A 22 10.756 3.116 -9.224 1.00 0.00 N ATOM 352 CA LEU A 22 10.745 2.195 -8.101 1.00 0.00 C ATOM 353 C LEU A 22 11.347 0.833 -8.458 1.00 0.00 C ATOM 354 O LEU A 22 12.187 0.317 -7.719 1.00 0.00 O ATOM 355 CB LEU A 22 9.313 2.055 -7.594 1.00 0.00 C ATOM 356 CG LEU A 22 9.091 1.090 -6.424 1.00 0.00 C ATOM 357 CD1 LEU A 22 9.787 1.574 -5.156 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.596 0.905 -6.186 1.00 0.00 C ATOM 0 H LEU A 22 9.841 3.268 -9.648 1.00 0.00 H new ATOM 0 HA LEU A 22 11.376 2.602 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.960 3.042 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.687 1.732 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 22 9.533 0.128 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.607 0.864 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.859 1.653 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.393 2.551 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.442 0.218 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.143 1.868 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.132 0.496 -7.084 1.00 0.00 H new ATOM 370 N ASP A 23 10.881 0.220 -9.549 1.00 0.00 N ATOM 371 CA ASP A 23 11.343 -1.119 -9.940 1.00 0.00 C ATOM 372 C ASP A 23 12.825 -1.207 -10.338 1.00 0.00 C ATOM 373 O ASP A 23 13.514 -2.131 -9.903 1.00 0.00 O ATOM 374 CB ASP A 23 10.482 -1.656 -11.094 1.00 0.00 C ATOM 375 CG ASP A 23 10.153 -3.130 -10.943 1.00 0.00 C ATOM 376 OD1 ASP A 23 11.095 -3.937 -10.789 1.00 0.00 O ATOM 377 OD2 ASP A 23 8.954 -3.478 -10.982 1.00 0.00 O ATOM 0 H ASP A 23 10.187 0.626 -10.177 1.00 0.00 H new ATOM 0 HA ASP A 23 11.235 -1.728 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.555 -1.085 -11.147 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.007 -1.500 -12.037 1.00 0.00 H new ATOM 382 N LYS A 24 13.306 -0.307 -11.205 1.00 0.00 N ATOM 383 CA LYS A 24 14.696 -0.398 -11.673 1.00 0.00 C ATOM 384 C LYS A 24 15.608 0.741 -11.219 1.00 0.00 C ATOM 385 O LYS A 24 16.795 0.515 -10.978 1.00 0.00 O ATOM 386 CB LYS A 24 14.743 -0.501 -13.205 1.00 0.00 C ATOM 387 CG LYS A 24 13.542 0.099 -13.935 1.00 0.00 C ATOM 388 CD LYS A 24 12.457 -0.943 -14.192 1.00 0.00 C ATOM 389 CE LYS A 24 12.827 -1.873 -15.338 1.00 0.00 C ATOM 390 NZ LYS A 24 11.704 -2.777 -15.712 1.00 0.00 N ATOM 0 H LYS A 24 12.771 0.472 -11.588 1.00 0.00 H new ATOM 0 HA LYS A 24 15.085 -1.303 -11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.647 -0.006 -13.559 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.827 -1.552 -13.480 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.129 0.916 -13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.869 0.525 -14.884 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.294 -1.528 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.517 -0.440 -14.421 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.119 -1.280 -16.205 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.693 -2.470 -15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.000 -3.393 -16.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.442 -3.362 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.885 -2.209 -16.008 1.00 0.00 H new ATOM 404 N GLU A 25 15.085 1.954 -11.130 1.00 0.00 N ATOM 405 CA GLU A 25 15.910 3.102 -10.731 1.00 0.00 C ATOM 406 C GLU A 25 16.565 2.891 -9.359 1.00 0.00 C ATOM 407 O GLU A 25 17.791 2.912 -9.251 1.00 0.00 O ATOM 408 CB GLU A 25 15.096 4.400 -10.744 1.00 0.00 C ATOM 409 CG GLU A 25 15.883 5.614 -11.214 1.00 0.00 C ATOM 410 CD GLU A 25 15.935 5.735 -12.726 1.00 0.00 C ATOM 411 OE1 GLU A 25 16.874 5.183 -13.335 1.00 0.00 O ATOM 412 OE2 GLU A 25 15.034 6.383 -13.300 1.00 0.00 O ATOM 0 H GLU A 25 14.108 2.176 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 25 16.709 3.188 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.229 4.268 -11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.718 4.591 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.434 6.516 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.899 5.555 -10.824 1.00 0.00 H new ATOM 419 N MET A 26 15.749 2.689 -8.317 1.00 0.00 N ATOM 420 CA MET A 26 16.264 2.475 -6.957 1.00 0.00 C ATOM 421 C MET A 26 15.114 2.255 -5.963 1.00 0.00 C ATOM 422 O MET A 26 14.568 3.211 -5.417 1.00 0.00 O ATOM 423 CB MET A 26 17.127 3.668 -6.510 1.00 0.00 C ATOM 424 CG MET A 26 18.622 3.365 -6.472 1.00 0.00 C ATOM 425 SD MET A 26 19.642 4.806 -6.848 1.00 0.00 S ATOM 426 CE MET A 26 21.283 4.090 -6.771 1.00 0.00 C ATOM 0 H MET A 26 14.732 2.669 -8.388 1.00 0.00 H new ATOM 0 HA MET A 26 16.884 1.579 -6.971 1.00 0.00 H new ATOM 0 HB2 MET A 26 16.952 4.505 -7.186 1.00 0.00 H new ATOM 0 HB3 MET A 26 16.805 3.987 -5.519 1.00 0.00 H new ATOM 0 HG2 MET A 26 18.886 2.988 -5.484 1.00 0.00 H new ATOM 0 HG3 MET A 26 18.845 2.572 -7.186 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.026 4.859 -6.982 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.456 3.682 -5.775 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.367 3.292 -7.509 1.00 0.00 H new ATOM 436 N PRO A 27 14.724 0.983 -5.730 1.00 0.00 N ATOM 437 CA PRO A 27 13.624 0.632 -4.811 1.00 0.00 C ATOM 438 C PRO A 27 13.723 1.298 -3.431 1.00 0.00 C ATOM 439 O PRO A 27 12.757 1.906 -2.966 1.00 0.00 O ATOM 440 CB PRO A 27 13.747 -0.889 -4.683 1.00 0.00 C ATOM 441 CG PRO A 27 14.376 -1.323 -5.961 1.00 0.00 C ATOM 442 CD PRO A 27 15.315 -0.216 -6.359 1.00 0.00 C ATOM 0 HA PRO A 27 12.666 0.978 -5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.360 -1.167 -3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.772 -1.355 -4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.913 -2.263 -5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.622 -1.490 -6.730 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.327 -0.400 -5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.376 -0.112 -7.442 1.00 0.00 H new ATOM 450 N ASP A 28 14.880 1.169 -2.774 1.00 0.00 N ATOM 451 CA ASP A 28 15.078 1.750 -1.437 1.00 0.00 C ATOM 452 C ASP A 28 15.585 3.190 -1.505 1.00 0.00 C ATOM 453 O ASP A 28 15.234 4.010 -0.654 1.00 0.00 O ATOM 454 CB ASP A 28 16.042 0.886 -0.610 1.00 0.00 C ATOM 455 CG ASP A 28 17.415 0.754 -1.247 1.00 0.00 C ATOM 456 OD1 ASP A 28 18.309 1.555 -0.901 1.00 0.00 O ATOM 457 OD2 ASP A 28 17.595 -0.150 -2.089 1.00 0.00 O ATOM 0 H ASP A 28 15.691 0.671 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 28 14.104 1.768 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.149 1.320 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.611 -0.107 -0.480 1.00 0.00 H new ATOM 462 N SER A 29 16.396 3.504 -2.515 1.00 0.00 N ATOM 463 CA SER A 29 16.924 4.859 -2.674 1.00 0.00 C ATOM 464 C SER A 29 15.936 5.734 -3.454 1.00 0.00 C ATOM 465 O SER A 29 16.324 6.479 -4.357 1.00 0.00 O ATOM 466 CB SER A 29 18.290 4.824 -3.370 1.00 0.00 C ATOM 467 OG SER A 29 19.287 5.430 -2.566 1.00 0.00 O ATOM 0 H SER A 29 16.700 2.844 -3.231 1.00 0.00 H new ATOM 0 HA SER A 29 17.057 5.297 -1.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.567 3.791 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.227 5.340 -4.328 1.00 0.00 H new ATOM 0 HG SER A 29 20.149 5.394 -3.031 1.00 0.00 H new ATOM 473 N ASP A 30 14.652 5.634 -3.092 1.00 0.00 N ATOM 474 CA ASP A 30 13.602 6.406 -3.745 1.00 0.00 C ATOM 475 C ASP A 30 12.640 7.028 -2.731 1.00 0.00 C ATOM 476 O ASP A 30 11.913 7.955 -3.074 1.00 0.00 O ATOM 477 CB ASP A 30 12.822 5.525 -4.726 1.00 0.00 C ATOM 478 CG ASP A 30 13.355 5.603 -6.148 1.00 0.00 C ATOM 479 OD1 ASP A 30 12.627 5.191 -7.073 1.00 0.00 O ATOM 480 OD2 ASP A 30 14.498 6.070 -6.334 1.00 0.00 O ATOM 0 H ASP A 30 14.319 5.022 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 30 14.086 7.216 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.860 4.490 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.774 5.824 -4.720 1.00 0.00 H new ATOM 485 N ALA A 31 12.630 6.528 -1.485 1.00 0.00 N ATOM 486 CA ALA A 31 11.740 7.072 -0.457 1.00 0.00 C ATOM 487 C ALA A 31 11.906 8.586 -0.306 1.00 0.00 C ATOM 488 O ALA A 31 10.922 9.315 -0.183 1.00 0.00 O ATOM 489 CB ALA A 31 11.974 6.376 0.875 1.00 0.00 C ATOM 0 H ALA A 31 13.221 5.758 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 31 10.716 6.883 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.304 6.794 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.779 5.309 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.008 6.526 1.187 1.00 0.00 H new ATOM 495 N VAL A 32 13.153 9.055 -0.331 1.00 0.00 N ATOM 496 CA VAL A 32 13.441 10.483 -0.209 1.00 0.00 C ATOM 497 C VAL A 32 13.072 11.225 -1.489 1.00 0.00 C ATOM 498 O VAL A 32 12.729 12.408 -1.451 1.00 0.00 O ATOM 499 CB VAL A 32 14.929 10.732 0.137 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.838 10.305 -1.013 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.169 12.191 0.511 1.00 0.00 C ATOM 0 H VAL A 32 13.980 8.467 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 32 12.831 10.868 0.608 1.00 0.00 H new ATOM 0 HB VAL A 32 15.176 10.120 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.878 10.491 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.699 9.242 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.587 10.877 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.223 12.337 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.894 12.831 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.562 12.449 1.379 1.00 0.00 H new ATOM 511 N LYS A 33 13.107 10.516 -2.614 1.00 0.00 N ATOM 512 CA LYS A 33 12.738 11.095 -3.899 1.00 0.00 C ATOM 513 C LYS A 33 11.233 10.946 -4.114 1.00 0.00 C ATOM 514 O LYS A 33 10.636 11.655 -4.923 1.00 0.00 O ATOM 515 CB LYS A 33 13.506 10.412 -5.040 1.00 0.00 C ATOM 516 CG LYS A 33 15.019 10.408 -4.854 1.00 0.00 C ATOM 517 CD LYS A 33 15.622 11.787 -5.092 1.00 0.00 C ATOM 518 CE LYS A 33 17.138 11.769 -4.955 1.00 0.00 C ATOM 519 NZ LYS A 33 17.735 13.115 -5.185 1.00 0.00 N ATOM 0 H LYS A 33 13.388 9.537 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 33 12.999 12.153 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.159 9.383 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.267 10.915 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.260 10.075 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.468 9.691 -5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.351 12.136 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.200 12.497 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.408 11.418 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.558 11.059 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.768 13.059 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.500 13.440 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.354 13.787 -4.489 1.00 0.00 H new ATOM 533 N PHE A 34 10.628 10.013 -3.367 1.00 0.00 N ATOM 534 CA PHE A 34 9.197 9.743 -3.448 1.00 0.00 C ATOM 535 C PHE A 34 8.362 10.862 -2.820 1.00 0.00 C ATOM 536 O PHE A 34 7.141 10.779 -2.812 1.00 0.00 O ATOM 537 CB PHE A 34 8.866 8.408 -2.754 1.00 0.00 C ATOM 538 CG PHE A 34 9.117 7.179 -3.584 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.261 5.949 -2.968 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.168 7.235 -4.970 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.449 4.807 -3.709 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.361 6.095 -5.716 1.00 0.00 C ATOM 543 CZ PHE A 34 9.499 4.878 -5.085 1.00 0.00 C ATOM 0 H PHE A 34 11.121 9.428 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 34 8.942 9.686 -4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.454 8.336 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.817 8.420 -2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.225 5.885 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.055 8.186 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.558 3.854 -3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.404 6.154 -6.794 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.646 3.981 -5.668 1.00 0.00 H new ATOM 553 N GLU A 35 9.005 11.904 -2.286 1.00 0.00 N ATOM 554 CA GLU A 35 8.259 13.006 -1.674 1.00 0.00 C ATOM 555 C GLU A 35 8.234 14.251 -2.578 1.00 0.00 C ATOM 556 O GLU A 35 7.569 15.235 -2.253 1.00 0.00 O ATOM 557 CB GLU A 35 8.857 13.357 -0.304 1.00 0.00 C ATOM 558 CG GLU A 35 7.884 13.182 0.852 1.00 0.00 C ATOM 559 CD GLU A 35 8.494 13.550 2.192 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.370 14.725 2.599 1.00 0.00 O ATOM 561 OE2 GLU A 35 9.095 12.664 2.835 1.00 0.00 O ATOM 0 H GLU A 35 10.020 12.008 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 35 7.229 12.673 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.732 12.731 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.203 14.390 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.003 13.799 0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.546 12.146 0.883 1.00 0.00 H new ATOM 568 N HIS A 36 8.951 14.205 -3.710 1.00 0.00 N ATOM 569 CA HIS A 36 8.986 15.339 -4.646 1.00 0.00 C ATOM 570 C HIS A 36 8.062 15.090 -5.837 1.00 0.00 C ATOM 571 O HIS A 36 7.154 15.879 -6.104 1.00 0.00 O ATOM 572 CB HIS A 36 10.412 15.592 -5.156 1.00 0.00 C ATOM 573 CG HIS A 36 11.480 15.403 -4.129 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.471 14.491 -4.060 1.00 0.00 N flip ATOM 575 CD2 HIS A 36 11.619 16.209 -3.018 1.00 0.00 C flip ATOM 576 CE1 HIS A 36 13.190 14.757 -2.921 1.00 0.00 C flip ATOM 577 NE2 HIS A 36 12.657 15.799 -2.309 1.00 0.00 N flip ATOM 0 H HIS A 36 9.510 13.402 -3.998 1.00 0.00 H new ATOM 0 HA HIS A 36 8.643 16.219 -4.102 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.609 14.923 -5.994 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.471 16.610 -5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.981 17.043 -2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.052 14.203 -2.580 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.989 16.216 -1.439 1.00 0.00 H new ATOM 586 N HIS A 37 8.301 13.984 -6.547 1.00 0.00 N ATOM 587 CA HIS A 37 7.493 13.615 -7.715 1.00 0.00 C ATOM 588 C HIS A 37 6.071 13.251 -7.297 1.00 0.00 C ATOM 589 O HIS A 37 5.123 13.383 -8.072 1.00 0.00 O ATOM 590 CB HIS A 37 8.117 12.425 -8.453 1.00 0.00 C ATOM 591 CG HIS A 37 9.590 12.480 -8.519 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.518 11.841 -7.782 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.270 13.268 -9.408 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 11.743 12.252 -8.234 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 11.558 13.115 -9.217 1.00 0.00 N flip ATOM 0 H HIS A 37 9.050 13.326 -6.333 1.00 0.00 H new ATOM 0 HA HIS A 37 7.464 14.478 -8.380 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.818 11.502 -7.956 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.717 12.386 -9.466 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.342 11.176 -7.029 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.818 13.912 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.699 11.926 -7.852 1.00 0.00 H new ATOM 604 N PHE A 38 5.951 12.766 -6.064 1.00 0.00 N ATOM 605 CA PHE A 38 4.675 12.342 -5.502 1.00 0.00 C ATOM 606 C PHE A 38 3.846 13.535 -5.011 1.00 0.00 C ATOM 607 O PHE A 38 2.616 13.513 -5.081 1.00 0.00 O ATOM 608 CB PHE A 38 4.948 11.365 -4.349 1.00 0.00 C ATOM 609 CG PHE A 38 5.453 9.999 -4.787 1.00 0.00 C ATOM 610 CD1 PHE A 38 5.373 8.904 -3.923 1.00 0.00 C ATOM 611 CD2 PHE A 38 6.015 9.800 -6.054 1.00 0.00 C ATOM 612 CE1 PHE A 38 5.826 7.663 -4.312 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.466 8.553 -6.438 1.00 0.00 C ATOM 614 CZ PHE A 38 6.368 7.486 -5.567 1.00 0.00 C ATOM 0 H PHE A 38 6.739 12.656 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 38 4.092 11.850 -6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.681 11.811 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.030 11.233 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.950 9.032 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.097 10.631 -6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.756 6.827 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.895 8.412 -7.419 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.717 6.510 -5.870 1.00 0.00 H new ATOM 624 N GLU A 39 4.525 14.569 -4.506 1.00 0.00 N ATOM 625 CA GLU A 39 3.851 15.767 -3.993 1.00 0.00 C ATOM 626 C GLU A 39 3.631 16.823 -5.084 1.00 0.00 C ATOM 627 O GLU A 39 2.691 17.615 -4.995 1.00 0.00 O ATOM 628 CB GLU A 39 4.663 16.372 -2.841 1.00 0.00 C ATOM 629 CG GLU A 39 3.860 17.307 -1.947 1.00 0.00 C ATOM 630 CD GLU A 39 4.673 17.857 -0.790 1.00 0.00 C ATOM 631 OE1 GLU A 39 4.682 17.219 0.285 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.302 18.922 -0.959 1.00 0.00 O ATOM 0 H GLU A 39 5.542 14.601 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 39 2.870 15.458 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.071 15.564 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.511 16.919 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.480 18.136 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.994 16.773 -1.555 1.00 0.00 H new ATOM 639 N GLU A 40 4.503 16.844 -6.099 1.00 0.00 N ATOM 640 CA GLU A 40 4.398 17.824 -7.190 1.00 0.00 C ATOM 641 C GLU A 40 2.997 17.843 -7.814 1.00 0.00 C ATOM 642 O GLU A 40 2.514 18.899 -8.229 1.00 0.00 O ATOM 643 CB GLU A 40 5.461 17.560 -8.270 1.00 0.00 C ATOM 644 CG GLU A 40 5.248 16.282 -9.074 1.00 0.00 C ATOM 645 CD GLU A 40 4.899 16.551 -10.527 1.00 0.00 C ATOM 646 OE1 GLU A 40 5.591 16.007 -11.414 1.00 0.00 O ATOM 647 OE2 GLU A 40 3.934 17.304 -10.778 1.00 0.00 O ATOM 0 H GLU A 40 5.286 16.197 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 40 4.578 18.806 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.480 18.406 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.440 17.514 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.152 15.675 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.449 15.699 -8.615 1.00 0.00 H new ATOM 654 N SER A 41 2.348 16.677 -7.874 1.00 0.00 N ATOM 655 CA SER A 41 1.005 16.572 -8.442 1.00 0.00 C ATOM 656 C SER A 41 0.129 15.649 -7.593 1.00 0.00 C ATOM 657 O SER A 41 -0.232 14.549 -8.017 1.00 0.00 O ATOM 658 CB SER A 41 1.068 16.073 -9.889 1.00 0.00 C ATOM 659 OG SER A 41 0.625 17.070 -10.793 1.00 0.00 O ATOM 0 H SER A 41 2.732 15.794 -7.536 1.00 0.00 H new ATOM 0 HA SER A 41 0.556 17.565 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.090 15.785 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.451 15.181 -9.996 1.00 0.00 H new ATOM 0 HG SER A 41 -0.338 17.213 -10.677 1.00 0.00 H new ATOM 665 N SER A 42 -0.212 16.109 -6.388 1.00 0.00 N ATOM 666 CA SER A 42 -1.050 15.331 -5.475 1.00 0.00 C ATOM 667 C SER A 42 -2.434 15.057 -6.081 1.00 0.00 C ATOM 668 O SER A 42 -2.927 13.932 -6.003 1.00 0.00 O ATOM 669 CB SER A 42 -1.196 16.054 -4.130 1.00 0.00 C ATOM 670 OG SER A 42 -1.472 15.137 -3.086 1.00 0.00 O ATOM 0 H SER A 42 0.079 17.016 -6.022 1.00 0.00 H new ATOM 0 HA SER A 42 -0.557 14.373 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.280 16.600 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.998 16.789 -4.194 1.00 0.00 H new ATOM 0 HG SER A 42 -1.559 15.622 -2.239 1.00 0.00 H new ATOM 676 N PRO A 43 -3.086 16.080 -6.690 1.00 0.00 N ATOM 677 CA PRO A 43 -4.423 15.925 -7.298 1.00 0.00 C ATOM 678 C PRO A 43 -4.487 14.847 -8.387 1.00 0.00 C ATOM 679 O PRO A 43 -5.572 14.355 -8.698 1.00 0.00 O ATOM 680 CB PRO A 43 -4.723 17.312 -7.875 1.00 0.00 C ATOM 681 CG PRO A 43 -3.855 18.234 -7.097 1.00 0.00 C ATOM 682 CD PRO A 43 -2.595 17.465 -6.828 1.00 0.00 C ATOM 0 HA PRO A 43 -5.152 15.589 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.495 17.357 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.776 17.569 -7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.647 19.145 -7.658 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.337 18.536 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.879 17.562 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.095 17.810 -5.923 1.00 0.00 H new ATOM 690 N CYS A 44 -3.330 14.429 -8.920 1.00 0.00 N ATOM 691 CA CYS A 44 -3.297 13.356 -9.905 1.00 0.00 C ATOM 692 C CYS A 44 -3.398 12.042 -9.152 1.00 0.00 C ATOM 693 O CYS A 44 -4.123 11.129 -9.534 1.00 0.00 O ATOM 694 CB CYS A 44 -2.003 13.408 -10.718 1.00 0.00 C ATOM 695 SG CYS A 44 -2.022 14.637 -12.059 1.00 0.00 S ATOM 0 H CYS A 44 -2.417 14.818 -8.684 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.125 13.460 -10.606 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.173 13.630 -10.047 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.814 12.423 -11.144 1.00 0.00 H new ATOM 700 N LEU A 45 -2.676 11.981 -8.044 1.00 0.00 N ATOM 701 CA LEU A 45 -2.669 10.839 -7.179 1.00 0.00 C ATOM 702 C LEU A 45 -3.978 10.746 -6.375 1.00 0.00 C ATOM 703 O LEU A 45 -4.176 9.789 -5.625 1.00 0.00 O ATOM 704 CB LEU A 45 -1.456 10.942 -6.256 1.00 0.00 C ATOM 705 CG LEU A 45 -0.856 9.621 -5.842 1.00 0.00 C ATOM 706 CD1 LEU A 45 -0.109 8.974 -7.002 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.064 9.790 -4.642 1.00 0.00 C ATOM 0 H LEU A 45 -2.074 12.741 -7.727 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.599 9.927 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.688 11.532 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.746 11.489 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.674 8.962 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.314 8.023 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.799 8.801 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.693 9.634 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.482 8.822 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.872 10.475 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.503 10.194 -3.803 1.00 0.00 H new ATOM 719 N GLU A 46 -4.880 11.739 -6.542 1.00 0.00 N ATOM 720 CA GLU A 46 -6.167 11.741 -5.833 1.00 0.00 C ATOM 721 C GLU A 46 -7.331 11.480 -6.797 1.00 0.00 C ATOM 722 O GLU A 46 -8.503 11.611 -6.439 1.00 0.00 O ATOM 723 CB GLU A 46 -6.358 13.064 -5.105 1.00 0.00 C ATOM 724 CG GLU A 46 -5.230 13.362 -4.137 1.00 0.00 C ATOM 725 CD GLU A 46 -5.719 13.728 -2.747 1.00 0.00 C ATOM 726 OE1 GLU A 46 -5.939 14.930 -2.493 1.00 0.00 O ATOM 727 OE2 GLU A 46 -5.884 12.811 -1.915 1.00 0.00 O ATOM 0 H GLU A 46 -4.737 12.540 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.157 10.934 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.428 13.870 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.303 13.043 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.578 12.491 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.628 14.181 -4.531 1.00 0.00 H new ATOM 734 N LYS A 47 -6.970 11.018 -7.989 1.00 0.00 N ATOM 735 CA LYS A 47 -7.960 10.622 -8.990 1.00 0.00 C ATOM 736 C LYS A 47 -8.170 9.105 -8.951 1.00 0.00 C ATOM 737 O LYS A 47 -9.191 8.594 -9.414 1.00 0.00 O ATOM 738 CB LYS A 47 -7.611 11.102 -10.392 1.00 0.00 C ATOM 739 CG LYS A 47 -6.507 10.315 -11.055 1.00 0.00 C ATOM 740 CD LYS A 47 -5.496 11.240 -11.682 1.00 0.00 C ATOM 741 CE LYS A 47 -5.908 11.661 -13.088 1.00 0.00 C ATOM 742 NZ LYS A 47 -5.332 10.770 -14.135 1.00 0.00 N ATOM 0 H LYS A 47 -6.001 10.908 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.898 11.115 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.504 11.051 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.316 12.150 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.017 9.677 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.928 9.659 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.378 12.126 -11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.526 10.745 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.995 11.652 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.584 12.686 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.232 11.299 -15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.398 10.431 -13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.963 9.957 -14.285 1.00 0.00 H new ATOM 756 N TYR A 48 -7.191 8.402 -8.372 1.00 0.00 N ATOM 757 CA TYR A 48 -7.240 6.946 -8.234 1.00 0.00 C ATOM 758 C TYR A 48 -7.279 6.546 -6.756 1.00 0.00 C ATOM 759 O TYR A 48 -7.951 5.582 -6.385 1.00 0.00 O ATOM 760 CB TYR A 48 -6.026 6.299 -8.909 1.00 0.00 C ATOM 761 CG TYR A 48 -5.908 6.617 -10.384 1.00 0.00 C ATOM 762 CD1 TYR A 48 -5.075 7.634 -10.826 1.00 0.00 C ATOM 763 CD2 TYR A 48 -6.625 5.898 -11.332 1.00 0.00 C ATOM 764 CE1 TYR A 48 -4.959 7.931 -12.171 1.00 0.00 C ATOM 765 CE2 TYR A 48 -6.517 6.188 -12.679 1.00 0.00 C ATOM 766 CZ TYR A 48 -5.682 7.205 -13.094 1.00 0.00 C ATOM 767 OH TYR A 48 -5.569 7.496 -14.434 1.00 0.00 O ATOM 0 H TYR A 48 -6.346 8.826 -7.988 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.148 6.592 -8.722 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.120 6.630 -8.401 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.085 5.218 -8.783 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.507 8.204 -10.106 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.277 5.099 -11.011 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.306 8.727 -12.497 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.083 5.621 -13.403 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.143 6.892 -14.950 1.00 0.00 H new ATOM 777 N GLY A 49 -6.546 7.291 -5.920 1.00 0.00 N ATOM 778 CA GLY A 49 -6.497 7.005 -4.501 1.00 0.00 C ATOM 779 C GLY A 49 -5.219 6.292 -4.102 1.00 0.00 C ATOM 780 O GLY A 49 -5.258 5.294 -3.381 1.00 0.00 O ATOM 0 H GLY A 49 -5.984 8.091 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.581 7.937 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.354 6.390 -4.227 1.00 0.00 H new ATOM 784 N LEU A 50 -4.083 6.803 -4.585 1.00 0.00 N ATOM 785 CA LEU A 50 -2.782 6.207 -4.286 1.00 0.00 C ATOM 786 C LEU A 50 -2.028 6.985 -3.206 1.00 0.00 C ATOM 787 O LEU A 50 -1.069 6.463 -2.638 1.00 0.00 O ATOM 788 CB LEU A 50 -1.923 6.125 -5.552 1.00 0.00 C ATOM 789 CG LEU A 50 -2.442 5.185 -6.648 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.640 5.383 -7.929 1.00 0.00 C ATOM 791 CD2 LEU A 50 -2.390 3.726 -6.193 1.00 0.00 C ATOM 0 H LEU A 50 -4.040 7.627 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.972 5.203 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.831 7.127 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.920 5.804 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.485 5.431 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.016 4.711 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.740 6.415 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.589 5.164 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.764 3.083 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.361 3.454 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.009 3.600 -5.304 1.00 0.00 H new ATOM 803 N GLU A 51 -2.453 8.224 -2.912 1.00 0.00 N ATOM 804 CA GLU A 51 -1.786 9.031 -1.877 1.00 0.00 C ATOM 805 C GLU A 51 -1.527 8.176 -0.633 1.00 0.00 C ATOM 806 O GLU A 51 -0.384 7.981 -0.221 1.00 0.00 O ATOM 807 CB GLU A 51 -2.646 10.249 -1.502 1.00 0.00 C ATOM 808 CG GLU A 51 -2.394 11.478 -2.366 1.00 0.00 C ATOM 809 CD GLU A 51 -1.263 12.343 -1.842 1.00 0.00 C ATOM 810 OE1 GLU A 51 -1.503 13.128 -0.901 1.00 0.00 O ATOM 811 OE2 GLU A 51 -0.137 12.237 -2.372 1.00 0.00 O ATOM 0 H GLU A 51 -3.242 8.683 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.835 9.385 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.698 9.974 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.458 10.506 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.162 11.160 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.306 12.073 -2.419 1.00 0.00 H new ATOM 818 N GLN A 52 -2.616 7.664 -0.069 1.00 0.00 N ATOM 819 CA GLN A 52 -2.572 6.808 1.123 1.00 0.00 C ATOM 820 C GLN A 52 -1.534 5.695 0.964 1.00 0.00 C ATOM 821 O GLN A 52 -0.895 5.290 1.931 1.00 0.00 O ATOM 822 CB GLN A 52 -3.947 6.177 1.403 1.00 0.00 C ATOM 823 CG GLN A 52 -5.130 7.065 1.043 1.00 0.00 C ATOM 824 CD GLN A 52 -6.119 7.224 2.186 1.00 0.00 C ATOM 825 OE1 GLN A 52 -7.101 6.486 2.278 1.00 0.00 O ATOM 826 NE2 GLN A 52 -5.866 8.191 3.063 1.00 0.00 N ATOM 0 H GLN A 52 -3.559 7.828 -0.422 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.291 7.443 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.026 5.244 0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.008 5.922 2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.763 8.048 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.645 6.644 0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.041 8.780 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.497 8.344 3.850 1.00 0.00 H new ATOM 835 N ALA A 53 -1.386 5.199 -0.263 1.00 0.00 N ATOM 836 CA ALA A 53 -0.436 4.121 -0.549 1.00 0.00 C ATOM 837 C ALA A 53 1.013 4.622 -0.627 1.00 0.00 C ATOM 838 O ALA A 53 1.892 4.090 0.051 1.00 0.00 O ATOM 839 CB ALA A 53 -0.814 3.399 -1.836 1.00 0.00 C ATOM 0 H ALA A 53 -1.910 5.525 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.492 3.421 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.096 2.602 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.812 2.972 -1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.805 4.106 -2.666 1.00 0.00 H new ATOM 845 N VAL A 54 1.262 5.626 -1.474 1.00 0.00 N ATOM 846 CA VAL A 54 2.616 6.170 -1.654 1.00 0.00 C ATOM 847 C VAL A 54 3.206 6.711 -0.347 1.00 0.00 C ATOM 848 O VAL A 54 4.412 6.603 -0.130 1.00 0.00 O ATOM 849 CB VAL A 54 2.676 7.262 -2.749 1.00 0.00 C ATOM 850 CG1 VAL A 54 2.003 6.783 -4.031 1.00 0.00 C ATOM 851 CG2 VAL A 54 2.062 8.574 -2.272 1.00 0.00 C ATOM 0 H VAL A 54 0.548 6.078 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 54 3.225 5.327 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 54 3.728 7.452 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.058 7.568 -4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.511 5.891 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.958 6.548 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.123 9.315 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.017 8.412 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.606 8.934 -1.399 1.00 0.00 H new ATOM 861 N LYS A 55 2.362 7.258 0.541 1.00 0.00 N ATOM 862 CA LYS A 55 2.842 7.761 1.837 1.00 0.00 C ATOM 863 C LYS A 55 3.612 6.644 2.545 1.00 0.00 C ATOM 864 O LYS A 55 4.665 6.863 3.147 1.00 0.00 O ATOM 865 CB LYS A 55 1.668 8.204 2.729 1.00 0.00 C ATOM 866 CG LYS A 55 0.750 9.272 2.134 1.00 0.00 C ATOM 867 CD LYS A 55 1.469 10.187 1.149 1.00 0.00 C ATOM 868 CE LYS A 55 0.662 11.445 0.855 1.00 0.00 C ATOM 869 NZ LYS A 55 0.771 12.449 1.951 1.00 0.00 N ATOM 0 H LYS A 55 1.359 7.363 0.389 1.00 0.00 H new ATOM 0 HA LYS A 55 3.486 8.623 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.067 7.327 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.072 8.581 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.085 8.786 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.329 9.873 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.442 10.465 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.654 9.648 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.009 11.888 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.385 11.178 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.207 13.289 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.416 12.036 2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.767 12.724 2.072 1.00 0.00 H new ATOM 883 N LYS A 56 3.049 5.443 2.433 1.00 0.00 N ATOM 884 CA LYS A 56 3.627 4.239 3.022 1.00 0.00 C ATOM 885 C LYS A 56 4.920 3.892 2.306 1.00 0.00 C ATOM 886 O LYS A 56 5.892 3.464 2.926 1.00 0.00 O ATOM 887 CB LYS A 56 2.624 3.086 2.969 1.00 0.00 C ATOM 888 CG LYS A 56 1.701 3.011 4.186 1.00 0.00 C ATOM 889 CD LYS A 56 1.507 4.372 4.868 1.00 0.00 C ATOM 890 CE LYS A 56 0.070 4.879 4.796 1.00 0.00 C ATOM 891 NZ LYS A 56 -0.938 3.792 4.962 1.00 0.00 N ATOM 0 H LYS A 56 2.177 5.278 1.930 1.00 0.00 H new ATOM 0 HA LYS A 56 3.858 4.421 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.016 3.187 2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.170 2.147 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.731 2.623 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.113 2.304 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.806 4.294 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.167 5.103 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.084 5.631 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.089 5.371 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.797 4.179 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.175 3.393 4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.545 3.044 5.569 1.00 0.00 H new ATOM 905 N LEU A 57 4.927 4.098 0.993 1.00 0.00 N ATOM 906 CA LEU A 57 6.104 3.841 0.165 1.00 0.00 C ATOM 907 C LEU A 57 7.278 4.713 0.605 1.00 0.00 C ATOM 908 O LEU A 57 8.406 4.238 0.737 1.00 0.00 O ATOM 909 CB LEU A 57 5.761 4.137 -1.299 1.00 0.00 C ATOM 910 CG LEU A 57 6.705 3.578 -2.365 1.00 0.00 C ATOM 911 CD1 LEU A 57 7.770 2.655 -1.788 1.00 0.00 C ATOM 912 CD2 LEU A 57 5.918 2.864 -3.449 1.00 0.00 C ATOM 0 H LEU A 57 4.122 4.446 0.473 1.00 0.00 H new ATOM 0 HA LEU A 57 6.393 2.796 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.761 3.750 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.714 5.219 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 57 7.228 4.430 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.409 2.290 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.374 3.203 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.290 1.810 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.605 2.472 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.355 2.041 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.228 3.565 -3.919 1.00 0.00 H new ATOM 924 N VAL A 58 6.992 5.992 0.842 1.00 0.00 N ATOM 925 CA VAL A 58 8.016 6.948 1.281 1.00 0.00 C ATOM 926 C VAL A 58 8.628 6.521 2.618 1.00 0.00 C ATOM 927 O VAL A 58 9.802 6.779 2.889 1.00 0.00 O ATOM 928 CB VAL A 58 7.442 8.379 1.452 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.559 9.419 1.487 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.438 8.705 0.359 1.00 0.00 C ATOM 0 H VAL A 58 6.060 6.394 0.738 1.00 0.00 H new ATOM 0 HA VAL A 58 8.777 6.957 0.501 1.00 0.00 H new ATOM 0 HB VAL A 58 6.919 8.411 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.127 10.413 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.226 9.209 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.123 9.379 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.054 9.714 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.926 8.641 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.613 7.994 0.399 1.00 0.00 H new ATOM 940 N LYS A 59 7.807 5.887 3.452 1.00 0.00 N ATOM 941 CA LYS A 59 8.215 5.431 4.766 1.00 0.00 C ATOM 942 C LYS A 59 9.378 4.438 4.688 1.00 0.00 C ATOM 943 O LYS A 59 10.231 4.407 5.577 1.00 0.00 O ATOM 944 CB LYS A 59 7.005 4.800 5.463 1.00 0.00 C ATOM 945 CG LYS A 59 7.350 3.901 6.643 1.00 0.00 C ATOM 946 CD LYS A 59 7.351 2.429 6.238 1.00 0.00 C ATOM 947 CE LYS A 59 5.946 1.838 6.208 1.00 0.00 C ATOM 948 NZ LYS A 59 5.259 1.937 7.528 1.00 0.00 N ATOM 0 H LYS A 59 6.834 5.677 3.228 1.00 0.00 H new ATOM 0 HA LYS A 59 8.572 6.285 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.346 5.596 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.444 4.218 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.330 4.173 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.630 4.059 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.808 2.325 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.967 1.862 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.353 2.355 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.001 0.792 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.501 1.226 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.946 1.767 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.850 2.887 7.636 1.00 0.00 H new ATOM 962 N ARG A 60 9.399 3.628 3.625 1.00 0.00 N ATOM 963 CA ARG A 60 10.452 2.626 3.424 1.00 0.00 C ATOM 964 C ARG A 60 11.809 3.152 3.884 1.00 0.00 C ATOM 965 O ARG A 60 12.361 2.685 4.883 1.00 0.00 O ATOM 966 CB ARG A 60 10.550 2.237 1.943 1.00 0.00 C ATOM 967 CG ARG A 60 9.658 1.080 1.514 1.00 0.00 C ATOM 968 CD ARG A 60 9.894 0.728 0.054 1.00 0.00 C ATOM 969 NE ARG A 60 9.222 -0.510 -0.341 1.00 0.00 N ATOM 970 CZ ARG A 60 9.393 -1.110 -1.524 1.00 0.00 C ATOM 971 NH1 ARG A 60 10.174 -0.565 -2.453 1.00 0.00 N ATOM 972 NH2 ARG A 60 8.774 -2.255 -1.783 1.00 0.00 N ATOM 0 H ARG A 60 8.695 3.647 2.887 1.00 0.00 H new ATOM 0 HA ARG A 60 10.186 1.752 4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.302 3.109 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.585 1.978 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.858 0.210 2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.612 1.347 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.541 1.545 -0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.965 0.629 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 60 8.584 -0.942 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.649 0.318 -2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.298 -1.030 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.168 -2.677 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.904 -2.713 -2.685 1.00 0.00 H new ATOM 986 N ALA A 61 12.331 4.127 3.139 1.00 0.00 N ATOM 987 CA ALA A 61 13.628 4.741 3.443 1.00 0.00 C ATOM 988 C ALA A 61 14.718 3.684 3.676 1.00 0.00 C ATOM 989 O ALA A 61 14.521 2.504 3.381 1.00 0.00 O ATOM 990 CB ALA A 61 13.499 5.667 4.650 1.00 0.00 C ATOM 0 H ALA A 61 11.872 4.512 2.313 1.00 0.00 H new ATOM 0 HA ALA A 61 13.933 5.330 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.467 6.118 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.774 6.451 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.163 5.094 5.514 1.00 0.00 H new ATOM 996 N ALA A 62 15.868 4.115 4.203 1.00 0.00 N ATOM 997 CA ALA A 62 16.979 3.211 4.472 1.00 0.00 C ATOM 998 C ALA A 62 17.065 2.877 5.963 1.00 0.00 C ATOM 999 O ALA A 62 17.993 3.306 6.652 1.00 0.00 O ATOM 1000 CB ALA A 62 18.286 3.819 3.978 1.00 0.00 C ATOM 0 H ALA A 62 16.049 5.088 4.451 1.00 0.00 H new ATOM 0 HA ALA A 62 16.803 2.281 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 62 19.108 3.133 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 62 18.222 3.995 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 62 18.464 4.764 4.491 1.00 0.00 H new ATOM 1006 N GLY A 63 16.090 2.110 6.455 1.00 0.00 N ATOM 1007 CA GLY A 63 16.075 1.733 7.861 1.00 0.00 C ATOM 1008 C GLY A 63 14.756 1.118 8.300 1.00 0.00 C ATOM 1009 O GLY A 63 14.745 0.145 9.056 1.00 0.00 O ATOM 0 H GLY A 63 15.312 1.744 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.880 1.023 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.278 2.614 8.469 1.00 0.00 H new ATOM 1013 N GLN A 64 13.640 1.688 7.833 1.00 0.00 N ATOM 1014 CA GLN A 64 12.309 1.188 8.193 1.00 0.00 C ATOM 1015 C GLN A 64 11.951 -0.061 7.381 1.00 0.00 C ATOM 1016 O GLN A 64 12.775 -0.969 7.253 1.00 0.00 O ATOM 1017 CB GLN A 64 11.261 2.300 8.015 1.00 0.00 C ATOM 1018 CG GLN A 64 11.589 3.581 8.771 1.00 0.00 C ATOM 1019 CD GLN A 64 10.417 4.545 8.834 1.00 0.00 C ATOM 1020 OE1 GLN A 64 9.394 4.254 9.455 1.00 0.00 O ATOM 1021 NE2 GLN A 64 10.557 5.701 8.190 1.00 0.00 N ATOM 0 H GLN A 64 13.632 2.493 7.207 1.00 0.00 H new ATOM 0 HA GLN A 64 12.318 0.895 9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 64 11.166 2.530 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.292 1.930 8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.901 3.329 9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.434 4.075 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.421 5.903 7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.800 6.385 8.199 1.00 0.00 H new ATOM 1030 N ASP A 65 10.730 -0.114 6.830 1.00 0.00 N ATOM 1031 CA ASP A 65 10.295 -1.264 6.032 1.00 0.00 C ATOM 1032 C ASP A 65 11.268 -1.529 4.877 1.00 0.00 C ATOM 1033 O ASP A 65 11.289 -2.625 4.317 1.00 0.00 O ATOM 1034 CB ASP A 65 8.878 -1.032 5.489 1.00 0.00 C ATOM 1035 CG ASP A 65 8.074 -2.317 5.382 1.00 0.00 C ATOM 1036 OD1 ASP A 65 6.908 -2.326 5.827 1.00 0.00 O ATOM 1037 OD2 ASP A 65 8.612 -3.313 4.853 1.00 0.00 O ATOM 0 H ASP A 65 10.031 0.623 6.923 1.00 0.00 H new ATOM 0 HA ASP A 65 10.285 -2.141 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.353 -0.333 6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.942 -0.565 4.506 1.00 0.00 H new ATOM 1042 N ASP A 66 12.083 -0.516 4.548 1.00 0.00 N ATOM 1043 CA ASP A 66 13.086 -0.607 3.478 1.00 0.00 C ATOM 1044 C ASP A 66 12.494 -1.080 2.145 1.00 0.00 C ATOM 1045 O ASP A 66 12.315 -0.278 1.235 1.00 0.00 O ATOM 1046 CB ASP A 66 14.247 -1.516 3.906 1.00 0.00 C ATOM 1047 CG ASP A 66 15.547 -0.755 4.091 1.00 0.00 C ATOM 1048 OD1 ASP A 66 16.137 -0.331 3.075 1.00 0.00 O ATOM 1049 OD2 ASP A 66 15.975 -0.582 5.252 1.00 0.00 O ATOM 0 H ASP A 66 12.065 0.390 5.017 1.00 0.00 H new ATOM 0 HA ASP A 66 13.462 0.403 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.987 -2.016 4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.390 -2.294 3.156 1.00 0.00 H new ATOM 1054 N VAL A 67 12.208 -2.382 2.033 1.00 0.00 N ATOM 1055 CA VAL A 67 11.651 -2.962 0.808 1.00 0.00 C ATOM 1056 C VAL A 67 11.137 -4.377 1.067 1.00 0.00 C ATOM 1057 O VAL A 67 11.868 -5.358 0.915 1.00 0.00 O ATOM 1058 CB VAL A 67 12.697 -3.004 -0.345 1.00 0.00 C ATOM 1059 CG1 VAL A 67 12.838 -1.641 -1.016 1.00 0.00 C ATOM 1060 CG2 VAL A 67 14.052 -3.497 0.157 1.00 0.00 C ATOM 0 H VAL A 67 12.355 -3.058 2.783 1.00 0.00 H new ATOM 0 HA VAL A 67 10.826 -2.319 0.502 1.00 0.00 H new ATOM 0 HB VAL A 67 12.332 -3.711 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.575 -1.704 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.877 -1.339 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.163 -0.905 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.762 -3.516 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.418 -2.826 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.945 -4.502 0.566 1.00 0.00 H new ATOM 1070 N PRO A 68 9.856 -4.497 1.457 1.00 0.00 N ATOM 1071 CA PRO A 68 9.232 -5.789 1.730 1.00 0.00 C ATOM 1072 C PRO A 68 8.993 -6.609 0.465 1.00 0.00 C ATOM 1073 O PRO A 68 8.661 -7.793 0.542 1.00 0.00 O ATOM 1074 CB PRO A 68 7.905 -5.417 2.399 1.00 0.00 C ATOM 1075 CG PRO A 68 7.599 -4.041 1.917 1.00 0.00 C ATOM 1076 CD PRO A 68 8.924 -3.376 1.654 1.00 0.00 C ATOM 0 HA PRO A 68 9.869 -6.420 2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.115 -6.116 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.990 -5.444 3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.994 -4.073 1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.028 -3.487 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.880 -2.735 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.228 -2.748 2.491 1.00 0.00 H new ATOM 1084 N GLY A 69 9.141 -5.969 -0.701 1.00 0.00 N ATOM 1085 CA GLY A 69 8.909 -6.657 -1.959 1.00 0.00 C ATOM 1086 C GLY A 69 7.429 -6.737 -2.283 1.00 0.00 C ATOM 1087 O GLY A 69 7.043 -6.795 -3.452 1.00 0.00 O ATOM 0 H GLY A 69 9.416 -4.991 -0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.431 -6.136 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.326 -7.663 -1.908 1.00 0.00 H new ATOM 1091 N ASP A 70 6.603 -6.736 -1.234 1.00 0.00 N ATOM 1092 CA ASP A 70 5.160 -6.804 -1.378 1.00 0.00 C ATOM 1093 C ASP A 70 4.548 -5.415 -1.533 1.00 0.00 C ATOM 1094 O ASP A 70 3.390 -5.305 -1.929 1.00 0.00 O ATOM 1095 CB ASP A 70 4.540 -7.519 -0.170 1.00 0.00 C ATOM 1096 CG ASP A 70 3.338 -8.366 -0.548 1.00 0.00 C ATOM 1097 OD1 ASP A 70 3.528 -9.559 -0.865 1.00 0.00 O ATOM 1098 OD2 ASP A 70 2.208 -7.835 -0.527 1.00 0.00 O ATOM 0 H ASP A 70 6.922 -6.688 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 70 4.942 -7.371 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.293 -8.152 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.240 -6.778 0.571 1.00 0.00 H new ATOM 1103 N LEU A 71 5.311 -4.342 -1.244 1.00 0.00 N ATOM 1104 CA LEU A 71 4.767 -2.999 -1.400 1.00 0.00 C ATOM 1105 C LEU A 71 4.820 -2.594 -2.867 1.00 0.00 C ATOM 1106 O LEU A 71 3.808 -2.206 -3.447 1.00 0.00 O ATOM 1107 CB LEU A 71 5.522 -1.987 -0.534 1.00 0.00 C ATOM 1108 CG LEU A 71 4.771 -0.682 -0.253 1.00 0.00 C ATOM 1109 CD1 LEU A 71 3.532 -0.925 0.604 1.00 0.00 C ATOM 1110 CD2 LEU A 71 5.699 0.314 0.418 1.00 0.00 C ATOM 0 H LEU A 71 6.275 -4.385 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 71 3.730 -3.005 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.767 -2.459 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.466 -1.746 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 71 4.435 -0.270 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.023 0.022 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.858 -1.606 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.829 -1.364 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.158 1.240 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.061 -0.102 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.546 0.521 -0.237 1.00 0.00 H new ATOM 1122 N ARG A 72 6.007 -2.717 -3.467 1.00 0.00 N ATOM 1123 CA ARG A 72 6.194 -2.397 -4.880 1.00 0.00 C ATOM 1124 C ARG A 72 5.205 -3.192 -5.725 1.00 0.00 C ATOM 1125 O ARG A 72 4.422 -2.624 -6.478 1.00 0.00 O ATOM 1126 CB ARG A 72 7.619 -2.720 -5.321 1.00 0.00 C ATOM 1127 CG ARG A 72 7.997 -2.136 -6.669 1.00 0.00 C ATOM 1128 CD ARG A 72 8.245 -3.217 -7.708 1.00 0.00 C ATOM 1129 NE ARG A 72 9.391 -4.063 -7.366 1.00 0.00 N ATOM 1130 CZ ARG A 72 9.688 -5.212 -7.981 1.00 0.00 C ATOM 1131 NH1 ARG A 72 8.930 -5.664 -8.977 1.00 0.00 N ATOM 1132 NH2 ARG A 72 10.750 -5.912 -7.598 1.00 0.00 N ATOM 0 H ARG A 72 6.852 -3.036 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 72 6.018 -1.330 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.314 -2.348 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.740 -3.803 -5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.201 -1.477 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.893 -1.525 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.354 -3.837 -7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.416 -2.752 -8.679 1.00 0.00 H new ATOM 0 HE ARG A 72 10.002 -3.755 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.113 -5.132 -9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.166 -6.542 -9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.337 -5.572 -6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.979 -6.789 -8.066 1.00 0.00 H new ATOM 1146 N ALA A 73 5.265 -4.519 -5.592 1.00 0.00 N ATOM 1147 CA ALA A 73 4.385 -5.420 -6.341 1.00 0.00 C ATOM 1148 C ALA A 73 2.937 -4.972 -6.200 1.00 0.00 C ATOM 1149 O ALA A 73 2.130 -5.113 -7.121 1.00 0.00 O ATOM 1150 CB ALA A 73 4.552 -6.858 -5.864 1.00 0.00 C ATOM 0 H ALA A 73 5.917 -4.996 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 73 4.662 -5.381 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.889 -7.510 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.585 -7.173 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.301 -6.922 -4.805 1.00 0.00 H new ATOM 1156 N LYS A 74 2.641 -4.397 -5.039 1.00 0.00 N ATOM 1157 CA LYS A 74 1.313 -3.875 -4.748 1.00 0.00 C ATOM 1158 C LYS A 74 1.113 -2.574 -5.513 1.00 0.00 C ATOM 1159 O LYS A 74 0.051 -2.323 -6.082 1.00 0.00 O ATOM 1160 CB LYS A 74 1.143 -3.636 -3.248 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.295 -3.775 -2.760 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.689 -5.232 -2.558 1.00 0.00 C ATOM 1163 CE LYS A 74 -2.157 -5.374 -2.181 1.00 0.00 C ATOM 1164 NZ LYS A 74 -2.565 -6.801 -2.051 1.00 0.00 N ATOM 0 H LYS A 74 3.311 -4.281 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 74 0.565 -4.604 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.771 -4.342 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.504 -2.636 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.414 -3.234 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.969 -3.314 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.493 -5.792 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.069 -5.671 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.341 -4.857 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.774 -4.888 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.571 -6.852 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.414 -7.289 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.995 -7.259 -1.312 1.00 0.00 H new ATOM 1178 N VAL A 75 2.169 -1.758 -5.526 1.00 0.00 N ATOM 1179 CA VAL A 75 2.155 -0.479 -6.225 1.00 0.00 C ATOM 1180 C VAL A 75 2.155 -0.698 -7.732 1.00 0.00 C ATOM 1181 O VAL A 75 1.247 -0.234 -8.422 1.00 0.00 O ATOM 1182 CB VAL A 75 3.360 0.403 -5.818 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.339 1.740 -6.553 1.00 0.00 C ATOM 1184 CG2 VAL A 75 3.370 0.614 -4.309 1.00 0.00 C ATOM 0 H VAL A 75 3.050 -1.966 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 75 1.242 0.044 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 75 4.275 -0.115 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.198 2.337 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.384 1.565 -7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.420 2.274 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.222 1.236 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.447 1.108 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.448 -0.351 -3.807 1.00 0.00 H new ATOM 1194 N MET A 76 3.168 -1.402 -8.250 1.00 0.00 N ATOM 1195 CA MET A 76 3.251 -1.664 -9.688 1.00 0.00 C ATOM 1196 C MET A 76 1.959 -2.315 -10.184 1.00 0.00 C ATOM 1197 O MET A 76 1.400 -1.907 -11.202 1.00 0.00 O ATOM 1198 CB MET A 76 4.480 -2.538 -10.017 1.00 0.00 C ATOM 1199 CG MET A 76 4.473 -3.922 -9.375 1.00 0.00 C ATOM 1200 SD MET A 76 4.009 -5.234 -10.525 1.00 0.00 S ATOM 1201 CE MET A 76 5.561 -5.507 -11.376 1.00 0.00 C ATOM 0 H MET A 76 3.932 -1.796 -7.701 1.00 0.00 H new ATOM 0 HA MET A 76 3.374 -0.714 -10.208 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.545 -2.655 -11.099 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.379 -2.010 -9.699 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.463 -4.134 -8.972 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.780 -3.922 -8.534 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.434 -6.293 -12.121 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.872 -4.586 -11.869 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.322 -5.808 -10.657 1.00 0.00 H new ATOM 1211 N GLY A 77 1.493 -3.325 -9.448 1.00 0.00 N ATOM 1212 CA GLY A 77 0.266 -4.018 -9.810 1.00 0.00 C ATOM 1213 C GLY A 77 -0.933 -3.092 -9.827 1.00 0.00 C ATOM 1214 O GLY A 77 -1.819 -3.237 -10.668 1.00 0.00 O ATOM 0 H GLY A 77 1.946 -3.676 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.385 -4.473 -10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.087 -4.828 -9.103 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.946 -2.112 -8.914 1.00 0.00 N ATOM 1219 CA ARG A 78 -2.023 -1.139 -8.855 1.00 0.00 C ATOM 1220 C ARG A 78 -1.883 -0.185 -10.026 1.00 0.00 C ATOM 1221 O ARG A 78 -2.875 0.171 -10.657 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.986 -0.375 -7.538 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.621 -1.120 -6.371 1.00 0.00 C ATOM 1224 CD ARG A 78 -4.137 -0.977 -6.370 1.00 0.00 C ATOM 1225 NE ARG A 78 -4.745 -1.549 -5.166 1.00 0.00 N ATOM 1226 CZ ARG A 78 -4.783 -0.939 -3.976 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -4.245 0.268 -3.811 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -5.360 -1.543 -2.944 1.00 0.00 N ATOM 0 H ARG A 78 -0.219 -1.979 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.982 -1.654 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.949 -0.149 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.498 0.579 -7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.355 -2.176 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.219 -0.738 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.401 0.078 -6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.547 -1.469 -7.252 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.168 -2.474 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.797 0.739 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.281 0.722 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.772 -2.469 -3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.391 -1.081 -2.035 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.634 0.192 -10.351 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.396 1.054 -11.495 1.00 0.00 C ATOM 1244 C LEU A 79 -0.908 0.313 -12.718 1.00 0.00 C ATOM 1245 O LEU A 79 -1.765 0.812 -13.442 1.00 0.00 O ATOM 1246 CB LEU A 79 1.095 1.403 -11.632 1.00 0.00 C ATOM 1247 CG LEU A 79 1.558 1.871 -13.026 1.00 0.00 C ATOM 1248 CD1 LEU A 79 0.551 2.826 -13.662 1.00 0.00 C ATOM 1249 CD2 LEU A 79 2.929 2.528 -12.939 1.00 0.00 C ATOM 0 H LEU A 79 0.204 -0.087 -9.841 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.917 2.004 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.331 2.186 -10.911 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.679 0.526 -11.353 1.00 0.00 H new ATOM 0 HG LEU A 79 1.628 0.990 -13.663 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.912 3.134 -14.643 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.410 2.323 -13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.431 3.704 -13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.241 2.852 -13.932 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.878 3.391 -12.275 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.652 1.812 -12.548 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.388 -0.899 -12.922 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.806 -1.743 -14.036 1.00 0.00 C ATOM 1263 C ASP A 80 -2.335 -1.829 -14.083 1.00 0.00 C ATOM 1264 O ASP A 80 -2.927 -1.914 -15.161 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.196 -3.145 -13.890 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.554 -4.070 -15.039 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -1.522 -4.848 -14.897 1.00 0.00 O ATOM 1268 OD2 ASP A 80 0.133 -4.017 -16.081 1.00 0.00 O ATOM 0 H ASP A 80 0.326 -1.317 -12.326 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.452 -1.303 -14.969 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.889 -3.058 -13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.537 -3.588 -12.954 1.00 0.00 H new ATOM 1273 N LEU A 81 -2.968 -1.760 -12.904 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.410 -1.778 -12.794 1.00 0.00 C ATOM 1275 C LEU A 81 -4.967 -0.413 -13.191 1.00 0.00 C ATOM 1276 O LEU A 81 -5.998 -0.306 -13.845 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.780 -2.079 -11.344 1.00 0.00 C ATOM 1278 CG LEU A 81 -6.089 -2.801 -11.131 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -6.384 -2.878 -9.643 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -7.222 -2.108 -11.882 1.00 0.00 C ATOM 0 H LEU A 81 -2.484 -1.691 -12.009 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.828 -2.539 -13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.982 -2.677 -10.903 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.814 -1.138 -10.796 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.009 -3.813 -11.528 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.329 -3.399 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.583 -3.420 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.453 -1.870 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.154 -2.647 -11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.324 -1.084 -11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.998 -2.097 -12.949 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.247 0.623 -12.771 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.615 2.005 -13.052 1.00 0.00 C ATOM 1294 C ILE A 82 -4.473 2.308 -14.546 1.00 0.00 C ATOM 1295 O ILE A 82 -5.419 2.767 -15.187 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.753 2.976 -12.201 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -4.289 3.021 -10.764 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.709 4.376 -12.805 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -3.244 3.388 -9.737 1.00 0.00 C ATOM 0 H ILE A 82 -3.391 0.527 -12.225 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.660 2.150 -12.779 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.730 2.600 -12.192 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.105 3.742 -10.713 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.708 2.047 -10.511 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.096 5.023 -12.178 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.280 4.327 -13.806 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.720 4.779 -12.863 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.697 3.400 -8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.438 2.654 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.842 4.375 -9.964 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.285 2.045 -15.094 1.00 0.00 N ATOM 1312 CA ARG A 83 -3.000 2.278 -16.510 1.00 0.00 C ATOM 1313 C ARG A 83 -3.903 1.445 -17.431 1.00 0.00 C ATOM 1314 O ARG A 83 -4.251 1.888 -18.527 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.523 1.972 -16.792 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.108 0.535 -16.511 1.00 0.00 C ATOM 1317 CD ARG A 83 -0.760 -0.199 -17.792 1.00 0.00 C ATOM 1318 NE ARG A 83 0.600 -0.739 -17.777 1.00 0.00 N ATOM 1319 CZ ARG A 83 1.164 -1.379 -18.806 1.00 0.00 C ATOM 1320 NH1 ARG A 83 0.493 -1.564 -19.940 1.00 0.00 N ATOM 1321 NH2 ARG A 83 2.407 -1.836 -18.700 1.00 0.00 N ATOM 0 H ARG A 83 -2.496 1.666 -14.570 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.209 3.326 -16.724 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.312 2.199 -17.837 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.906 2.639 -16.190 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.249 0.527 -15.840 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.917 0.014 -15.999 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.469 -1.013 -17.945 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.868 0.481 -18.637 1.00 0.00 H new ATOM 0 HE ARG A 83 1.152 -0.619 -16.928 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.462 -1.216 -20.030 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.933 -2.054 -20.719 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.929 -1.698 -17.835 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.839 -2.325 -19.484 1.00 0.00 H new ATOM 1335 N SER A 84 -4.269 0.238 -16.988 1.00 0.00 N ATOM 1336 CA SER A 84 -5.118 -0.653 -17.778 1.00 0.00 C ATOM 1337 C SER A 84 -6.441 -0.972 -17.068 1.00 0.00 C ATOM 1338 O SER A 84 -7.022 -2.039 -17.278 1.00 0.00 O ATOM 1339 CB SER A 84 -4.365 -1.951 -18.089 1.00 0.00 C ATOM 1340 OG SER A 84 -4.941 -2.624 -19.196 1.00 0.00 O ATOM 0 H SER A 84 -3.989 -0.143 -16.084 1.00 0.00 H new ATOM 0 HA SER A 84 -5.362 -0.136 -18.706 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.319 -1.727 -18.300 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.381 -2.602 -17.215 1.00 0.00 H new ATOM 0 HG SER A 84 -5.906 -2.718 -19.056 1.00 0.00 H new ATOM 1346 N GLY A 85 -6.915 -0.046 -16.230 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.164 -0.262 -15.512 1.00 0.00 C ATOM 1348 C GLY A 85 -8.510 0.887 -14.579 1.00 0.00 C ATOM 1349 O GLY A 85 -7.935 1.972 -14.685 1.00 0.00 O ATOM 0 H GLY A 85 -6.458 0.845 -16.037 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.973 -0.398 -16.230 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.092 -1.184 -14.935 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.464 0.655 -13.670 1.00 0.00 N ATOM 1354 CA GLN A 86 -9.897 1.681 -12.727 1.00 0.00 C ATOM 1355 C GLN A 86 -10.223 1.089 -11.353 1.00 0.00 C ATOM 1356 O GLN A 86 -9.745 1.586 -10.331 1.00 0.00 O ATOM 1357 CB GLN A 86 -11.126 2.408 -13.276 1.00 0.00 C ATOM 1358 CG GLN A 86 -10.946 2.920 -14.696 1.00 0.00 C ATOM 1359 CD GLN A 86 -12.207 3.554 -15.257 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -12.393 4.768 -15.175 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -13.084 2.733 -15.831 1.00 0.00 N ATOM 0 H GLN A 86 -9.949 -0.237 -13.571 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.073 2.384 -12.604 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.980 1.732 -13.248 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.363 3.248 -12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.138 3.651 -14.714 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.643 2.094 -15.339 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.891 1.733 -15.878 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.949 3.104 -16.224 1.00 0.00 H new ATOM 1370 N SER A 87 -11.050 0.039 -11.338 1.00 0.00 N ATOM 1371 CA SER A 87 -11.459 -0.617 -10.091 1.00 0.00 C ATOM 1372 C SER A 87 -10.259 -0.937 -9.197 1.00 0.00 C ATOM 1373 O SER A 87 -9.225 -1.407 -9.674 1.00 0.00 O ATOM 1374 CB SER A 87 -12.235 -1.902 -10.393 1.00 0.00 C ATOM 1375 OG SER A 87 -13.316 -1.653 -11.277 1.00 0.00 O ATOM 0 H SER A 87 -11.451 -0.377 -12.179 1.00 0.00 H new ATOM 0 HA SER A 87 -12.103 0.080 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.564 -2.640 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.613 -2.329 -9.464 1.00 0.00 H new ATOM 0 HG SER A 87 -13.793 -2.490 -11.454 1.00 0.00 H new ATOM 1381 N VAL A 88 -10.413 -0.679 -7.895 1.00 0.00 N ATOM 1382 CA VAL A 88 -9.355 -0.937 -6.921 1.00 0.00 C ATOM 1383 C VAL A 88 -9.954 -1.348 -5.573 1.00 0.00 C ATOM 1384 O VAL A 88 -10.032 -0.551 -4.636 1.00 0.00 O ATOM 1385 CB VAL A 88 -8.439 0.295 -6.733 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -7.327 0.316 -7.775 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -9.263 1.572 -6.792 1.00 0.00 C ATOM 0 H VAL A 88 -11.266 -0.290 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.748 -1.755 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.969 0.229 -5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.699 1.193 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.722 -0.586 -7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.764 0.356 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.609 2.434 -6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.760 1.640 -7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.012 1.559 -6.000 1.00 0.00 H new