USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=12 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 19 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 90:sc= 0.221 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-1.7) 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= 0.00762 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.05! X(o=-2.1!,f=-2) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.115 F(o=-1.3,f=-0.12) USER MOD Single : A 41 SER OG : rot -61:sc= 0.578 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= 1.03 (180deg=-0.166) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 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+ 173:sc= -0.962 (180deg=-1.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.29) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 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 -5.267 18.737 -12.796 1.00 0.00 N ATOM 132 CA GLU A 8 -4.025 17.997 -13.038 1.00 0.00 C ATOM 133 C GLU A 8 -3.522 18.234 -14.461 1.00 0.00 C ATOM 134 O GLU A 8 -4.182 18.902 -15.260 1.00 0.00 O ATOM 135 CB GLU A 8 -4.219 16.488 -12.795 1.00 0.00 C ATOM 136 CG GLU A 8 -5.471 16.125 -11.998 1.00 0.00 C ATOM 137 CD GLU A 8 -6.506 15.406 -12.843 1.00 0.00 C ATOM 138 OE1 GLU A 8 -7.566 16.005 -13.120 1.00 0.00 O ATOM 139 OE2 GLU A 8 -6.254 14.246 -13.232 1.00 0.00 O ATOM 0 HA GLU A 8 -3.280 18.367 -12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.259 15.981 -13.759 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.346 16.103 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.191 15.493 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.911 17.032 -11.584 1.00 0.00 H new ATOM 146 N THR A 9 -2.344 17.685 -14.771 1.00 0.00 N ATOM 147 CA THR A 9 -1.743 17.836 -16.092 1.00 0.00 C ATOM 148 C THR A 9 -1.076 16.534 -16.543 1.00 0.00 C ATOM 149 O THR A 9 -1.438 15.970 -17.577 1.00 0.00 O ATOM 150 CB THR A 9 -0.731 18.990 -16.087 1.00 0.00 C ATOM 151 OG1 THR A 9 0.475 18.609 -15.446 1.00 0.00 O ATOM 152 CG2 THR A 9 -1.242 20.234 -15.388 1.00 0.00 C ATOM 0 H THR A 9 -1.789 17.130 -14.120 1.00 0.00 H new ATOM 0 HA THR A 9 -2.535 18.070 -16.804 1.00 0.00 H new ATOM 0 HB THR A 9 -0.562 19.221 -17.139 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.093 18.234 -16.108 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.477 21.010 -15.421 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.142 20.590 -15.890 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.475 19.998 -14.350 1.00 0.00 H new ATOM 160 N ASP A 10 -0.111 16.057 -15.753 1.00 0.00 N ATOM 161 CA ASP A 10 0.601 14.815 -16.054 1.00 0.00 C ATOM 162 C ASP A 10 0.383 13.804 -14.933 1.00 0.00 C ATOM 163 O ASP A 10 1.017 13.886 -13.879 1.00 0.00 O ATOM 164 CB ASP A 10 2.101 15.083 -16.237 1.00 0.00 C ATOM 165 CG ASP A 10 2.386 16.074 -17.351 1.00 0.00 C ATOM 166 OD1 ASP A 10 2.537 17.276 -17.051 1.00 0.00 O ATOM 167 OD2 ASP A 10 2.458 15.646 -18.522 1.00 0.00 O ATOM 0 H ASP A 10 0.196 16.516 -14.895 1.00 0.00 H new ATOM 0 HA ASP A 10 0.207 14.406 -16.985 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.515 15.463 -15.303 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.610 14.144 -16.452 1.00 0.00 H new ATOM 172 N CYS A 11 -0.535 12.861 -15.155 1.00 0.00 N ATOM 173 CA CYS A 11 -0.851 11.849 -14.150 1.00 0.00 C ATOM 174 C CYS A 11 -0.112 10.536 -14.411 1.00 0.00 C ATOM 175 O CYS A 11 0.605 10.042 -13.540 1.00 0.00 O ATOM 176 CB CYS A 11 -2.368 11.607 -14.100 1.00 0.00 C ATOM 177 SG CYS A 11 -2.907 10.399 -12.840 1.00 0.00 S ATOM 0 H CYS A 11 -1.070 12.779 -16.019 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.515 12.227 -13.184 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.868 12.557 -13.910 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.700 11.262 -15.079 1.00 0.00 H new ATOM 182 N SER A 12 -0.296 9.969 -15.606 1.00 0.00 N ATOM 183 CA SER A 12 0.351 8.703 -15.968 1.00 0.00 C ATOM 184 C SER A 12 1.854 8.723 -15.690 1.00 0.00 C ATOM 185 O SER A 12 2.450 7.681 -15.434 1.00 0.00 O ATOM 186 CB SER A 12 0.122 8.383 -17.442 1.00 0.00 C ATOM 187 OG SER A 12 -1.261 8.321 -17.747 1.00 0.00 O ATOM 0 H SER A 12 -0.886 10.364 -16.338 1.00 0.00 H new ATOM 0 HA SER A 12 -0.103 7.932 -15.346 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.599 9.144 -18.060 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.594 7.431 -17.687 1.00 0.00 H new ATOM 0 HG SER A 12 -1.377 8.116 -18.698 1.00 0.00 H new ATOM 193 N GLU A 13 2.461 9.910 -15.750 1.00 0.00 N ATOM 194 CA GLU A 13 3.897 10.054 -15.510 1.00 0.00 C ATOM 195 C GLU A 13 4.246 9.732 -14.062 1.00 0.00 C ATOM 196 O GLU A 13 5.177 8.973 -13.804 1.00 0.00 O ATOM 197 CB GLU A 13 4.372 11.461 -15.867 1.00 0.00 C ATOM 198 CG GLU A 13 4.184 11.819 -17.335 1.00 0.00 C ATOM 199 CD GLU A 13 5.152 12.888 -17.808 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.867 14.085 -17.590 1.00 0.00 O ATOM 201 OE2 GLU A 13 6.194 12.529 -18.395 1.00 0.00 O ATOM 0 H GLU A 13 1.980 10.784 -15.963 1.00 0.00 H new ATOM 0 HA GLU A 13 4.412 9.341 -16.154 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.832 12.183 -15.255 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.428 11.554 -15.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.314 10.923 -17.942 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.162 12.165 -17.492 1.00 0.00 H new ATOM 208 N ILE A 14 3.475 10.281 -13.122 1.00 0.00 N ATOM 209 CA ILE A 14 3.696 10.007 -11.700 1.00 0.00 C ATOM 210 C ILE A 14 3.643 8.523 -11.490 1.00 0.00 C ATOM 211 O ILE A 14 4.534 7.960 -10.857 1.00 0.00 O ATOM 212 CB ILE A 14 2.643 10.693 -10.793 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.818 12.220 -10.811 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.709 10.141 -9.368 1.00 0.00 C ATOM 215 CD1 ILE A 14 3.994 12.729 -9.998 1.00 0.00 C ATOM 0 H ILE A 14 2.698 10.913 -13.316 1.00 0.00 H new ATOM 0 HA ILE A 14 4.670 10.412 -11.424 1.00 0.00 H new ATOM 0 HB ILE A 14 1.653 10.468 -11.189 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.938 12.547 -11.844 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.905 12.682 -10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.961 10.638 -8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.513 9.069 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.700 10.322 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.041 13.816 -10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.869 12.437 -8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.918 12.300 -10.386 1.00 0.00 H new ATOM 227 N LEU A 15 2.645 7.860 -12.067 1.00 0.00 N ATOM 228 CA LEU A 15 2.588 6.424 -11.961 1.00 0.00 C ATOM 229 C LEU A 15 3.839 5.913 -12.645 1.00 0.00 C ATOM 230 O LEU A 15 4.638 5.199 -12.039 1.00 0.00 O ATOM 231 CB LEU A 15 1.308 5.871 -12.605 1.00 0.00 C ATOM 232 CG LEU A 15 0.067 6.777 -12.491 1.00 0.00 C ATOM 233 CD1 LEU A 15 -1.159 6.072 -13.049 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.169 7.214 -11.043 1.00 0.00 C ATOM 0 H LEU A 15 1.887 8.289 -12.598 1.00 0.00 H new ATOM 0 HA LEU A 15 2.553 6.095 -10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.504 5.683 -13.661 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.078 4.909 -12.148 1.00 0.00 H new ATOM 0 HG LEU A 15 0.249 7.674 -13.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.027 6.726 -12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.993 5.829 -14.099 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.338 5.154 -12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.051 7.852 -10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.323 6.334 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.699 7.767 -10.684 1.00 0.00 H new ATOM 246 N ASP A 16 4.014 6.306 -13.919 1.00 0.00 N ATOM 247 CA ASP A 16 5.188 5.918 -14.694 1.00 0.00 C ATOM 248 C ASP A 16 6.462 6.059 -13.868 1.00 0.00 C ATOM 249 O ASP A 16 7.439 5.352 -14.124 1.00 0.00 O ATOM 250 CB ASP A 16 5.291 6.762 -15.966 1.00 0.00 C ATOM 251 CG ASP A 16 6.190 6.134 -17.016 1.00 0.00 C ATOM 252 OD1 ASP A 16 7.360 6.557 -17.125 1.00 0.00 O ATOM 253 OD2 ASP A 16 5.723 5.221 -17.728 1.00 0.00 O ATOM 0 H ASP A 16 3.352 6.893 -14.427 1.00 0.00 H new ATOM 0 HA ASP A 16 5.075 4.870 -14.972 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.295 6.904 -16.385 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.673 7.751 -15.711 1.00 0.00 H new ATOM 258 N HIS A 17 6.448 6.913 -12.828 1.00 0.00 N ATOM 259 CA HIS A 17 7.594 7.043 -11.947 1.00 0.00 C ATOM 260 C HIS A 17 7.602 5.819 -11.045 1.00 0.00 C ATOM 261 O HIS A 17 8.507 4.994 -11.091 1.00 0.00 O ATOM 262 CB HIS A 17 7.471 8.281 -11.029 1.00 0.00 C ATOM 263 CG HIS A 17 7.405 9.616 -11.694 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.138 10.755 -10.970 1.00 0.00 N ATOM 265 CD2 HIS A 17 7.577 10.015 -12.975 1.00 0.00 C ATOM 266 CE1 HIS A 17 7.146 11.797 -11.764 1.00 0.00 C ATOM 267 NE2 HIS A 17 7.410 11.382 -12.993 1.00 0.00 N ATOM 0 H HIS A 17 5.658 7.512 -12.589 1.00 0.00 H new ATOM 0 HA HIS A 17 8.495 7.141 -12.552 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.576 8.162 -10.419 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.322 8.284 -10.348 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.802 9.383 -13.821 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.968 12.820 -11.467 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.479 11.977 -13.818 1.00 0.00 H new ATOM 276 N LEU A 18 6.549 5.727 -10.223 1.00 0.00 N ATOM 277 CA LEU A 18 6.369 4.628 -9.266 1.00 0.00 C ATOM 278 C LEU A 18 6.778 3.262 -9.828 1.00 0.00 C ATOM 279 O LEU A 18 7.149 2.376 -9.066 1.00 0.00 O ATOM 280 CB LEU A 18 4.911 4.566 -8.789 1.00 0.00 C ATOM 281 CG LEU A 18 4.548 5.542 -7.660 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.376 6.952 -8.204 1.00 0.00 C ATOM 283 CD2 LEU A 18 3.281 5.086 -6.940 1.00 0.00 C ATOM 0 H LEU A 18 5.796 6.415 -10.203 1.00 0.00 H new ATOM 0 HA LEU A 18 7.032 4.845 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.259 4.762 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.699 3.551 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 18 5.367 5.550 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.119 7.628 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.307 7.279 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.579 6.961 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.041 5.791 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.454 5.045 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.442 4.096 -6.512 1.00 0.00 H new ATOM 295 N TYR A 19 6.702 3.080 -11.145 1.00 0.00 N ATOM 296 CA TYR A 19 7.073 1.801 -11.747 1.00 0.00 C ATOM 297 C TYR A 19 8.579 1.741 -12.037 1.00 0.00 C ATOM 298 O TYR A 19 9.298 0.959 -11.419 1.00 0.00 O ATOM 299 CB TYR A 19 6.257 1.553 -13.027 1.00 0.00 C ATOM 300 CG TYR A 19 6.165 0.090 -13.421 1.00 0.00 C ATOM 301 CD1 TYR A 19 7.307 -0.615 -13.792 1.00 0.00 C ATOM 302 CD2 TYR A 19 4.944 -0.588 -13.426 1.00 0.00 C ATOM 303 CE1 TYR A 19 7.242 -1.945 -14.154 1.00 0.00 C ATOM 304 CE2 TYR A 19 4.874 -1.921 -13.788 1.00 0.00 C ATOM 305 CZ TYR A 19 6.024 -2.593 -14.150 1.00 0.00 C ATOM 306 OH TYR A 19 5.956 -3.921 -14.510 1.00 0.00 O ATOM 0 H TYR A 19 6.392 3.791 -11.808 1.00 0.00 H new ATOM 0 HA TYR A 19 6.842 1.010 -11.033 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.250 1.946 -12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.706 2.113 -13.847 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.262 -0.111 -13.797 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.043 -0.064 -13.143 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.139 -2.475 -14.439 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.924 -2.434 -13.787 1.00 0.00 H new ATOM 0 HH TYR A 19 5.027 -4.228 -14.454 1.00 0.00 H new ATOM 316 N GLU A 20 9.049 2.558 -12.984 1.00 0.00 N ATOM 317 CA GLU A 20 10.475 2.578 -13.356 1.00 0.00 C ATOM 318 C GLU A 20 11.347 3.134 -12.225 1.00 0.00 C ATOM 319 O GLU A 20 12.517 2.780 -12.093 1.00 0.00 O ATOM 320 CB GLU A 20 10.687 3.423 -14.616 1.00 0.00 C ATOM 321 CG GLU A 20 9.696 3.128 -15.732 1.00 0.00 C ATOM 322 CD GLU A 20 10.067 3.801 -17.039 1.00 0.00 C ATOM 323 OE1 GLU A 20 9.772 5.006 -17.193 1.00 0.00 O ATOM 324 OE2 GLU A 20 10.653 3.124 -17.910 1.00 0.00 O ATOM 0 H GLU A 20 8.469 3.214 -13.508 1.00 0.00 H new ATOM 0 HA GLU A 20 10.773 1.547 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.616 4.478 -14.350 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.698 3.255 -14.988 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.640 2.050 -15.886 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.703 3.459 -15.427 1.00 0.00 H new ATOM 331 N PHE A 21 10.759 4.008 -11.425 1.00 0.00 N ATOM 332 CA PHE A 21 11.440 4.639 -10.299 1.00 0.00 C ATOM 333 C PHE A 21 11.635 3.640 -9.162 1.00 0.00 C ATOM 334 O PHE A 21 12.733 3.451 -8.644 1.00 0.00 O ATOM 335 CB PHE A 21 10.571 5.814 -9.804 1.00 0.00 C ATOM 336 CG PHE A 21 11.302 6.884 -9.055 1.00 0.00 C ATOM 337 CD1 PHE A 21 11.212 8.202 -9.465 1.00 0.00 C ATOM 338 CD2 PHE A 21 12.066 6.577 -7.946 1.00 0.00 C ATOM 339 CE1 PHE A 21 11.880 9.200 -8.784 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.737 7.571 -7.257 1.00 0.00 C ATOM 341 CZ PHE A 21 12.645 8.884 -7.679 1.00 0.00 C ATOM 0 H PHE A 21 9.789 4.304 -11.537 1.00 0.00 H new ATOM 0 HA PHE A 21 12.420 4.993 -10.619 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.080 6.268 -10.665 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.785 5.417 -9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.612 8.453 -10.327 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.140 5.552 -7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.804 10.225 -9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.332 7.322 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.171 9.662 -7.145 1.00 0.00 H new ATOM 351 N LEU A 22 10.530 3.038 -8.777 1.00 0.00 N ATOM 352 CA LEU A 22 10.500 2.079 -7.684 1.00 0.00 C ATOM 353 C LEU A 22 11.157 0.747 -8.054 1.00 0.00 C ATOM 354 O LEU A 22 11.969 0.225 -7.289 1.00 0.00 O ATOM 355 CB LEU A 22 9.051 1.880 -7.255 1.00 0.00 C ATOM 356 CG LEU A 22 8.813 1.092 -5.962 1.00 0.00 C ATOM 357 CD1 LEU A 22 9.466 1.767 -4.761 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.315 0.933 -5.738 1.00 0.00 C ATOM 0 H LEU A 22 9.622 3.198 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 22 11.084 2.477 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.592 2.862 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.524 1.373 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 22 9.274 0.110 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.275 1.178 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.541 1.840 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.050 2.766 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.142 0.373 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.853 1.917 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.876 0.395 -6.579 1.00 0.00 H new ATOM 370 N ASP A 23 10.762 0.163 -9.187 1.00 0.00 N ATOM 371 CA ASP A 23 11.273 -1.149 -9.605 1.00 0.00 C ATOM 372 C ASP A 23 12.782 -1.209 -9.895 1.00 0.00 C ATOM 373 O ASP A 23 13.384 -2.269 -9.715 1.00 0.00 O ATOM 374 CB ASP A 23 10.514 -1.630 -10.851 1.00 0.00 C ATOM 375 CG ASP A 23 10.359 -3.139 -10.898 1.00 0.00 C ATOM 376 OD1 ASP A 23 11.387 -3.847 -10.836 1.00 0.00 O ATOM 377 OD2 ASP A 23 9.208 -3.615 -11.002 1.00 0.00 O ATOM 0 H ASP A 23 10.090 0.576 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 23 11.106 -1.799 -8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.527 -1.167 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.042 -1.295 -11.744 1.00 0.00 H new ATOM 382 N LYS A 24 13.395 -0.126 -10.390 1.00 0.00 N ATOM 383 CA LYS A 24 14.821 -0.191 -10.732 1.00 0.00 C ATOM 384 C LYS A 24 15.667 0.982 -10.239 1.00 0.00 C ATOM 385 O LYS A 24 16.834 0.790 -9.895 1.00 0.00 O ATOM 386 CB LYS A 24 14.987 -0.336 -12.251 1.00 0.00 C ATOM 387 CG LYS A 24 13.842 0.239 -13.082 1.00 0.00 C ATOM 388 CD LYS A 24 12.869 -0.846 -13.536 1.00 0.00 C ATOM 389 CE LYS A 24 13.471 -1.723 -14.626 1.00 0.00 C ATOM 390 NZ LYS A 24 12.468 -2.654 -15.213 1.00 0.00 N ATOM 0 H LYS A 24 12.946 0.774 -10.558 1.00 0.00 H new ATOM 0 HA LYS A 24 15.199 -1.066 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.914 0.154 -12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.094 -1.394 -12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.306 0.985 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.248 0.751 -13.954 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.591 -1.465 -12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.954 -0.383 -13.906 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.883 -1.091 -15.413 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.300 -2.297 -14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.920 -3.232 -15.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.093 -3.275 -14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.689 -2.106 -15.631 1.00 0.00 H new ATOM 404 N GLU A 25 15.111 2.187 -10.233 1.00 0.00 N ATOM 405 CA GLU A 25 15.872 3.372 -9.804 1.00 0.00 C ATOM 406 C GLU A 25 16.648 3.118 -8.504 1.00 0.00 C ATOM 407 O GLU A 25 17.877 3.202 -8.491 1.00 0.00 O ATOM 408 CB GLU A 25 14.955 4.590 -9.649 1.00 0.00 C ATOM 409 CG GLU A 25 15.633 5.915 -9.971 1.00 0.00 C ATOM 410 CD GLU A 25 15.683 6.204 -11.460 1.00 0.00 C ATOM 411 OE1 GLU A 25 14.721 6.806 -11.981 1.00 0.00 O ATOM 412 OE2 GLU A 25 16.685 5.828 -12.104 1.00 0.00 O ATOM 0 H GLU A 25 14.149 2.377 -10.515 1.00 0.00 H new ATOM 0 HA GLU A 25 16.600 3.582 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.090 4.467 -10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.581 4.623 -8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.101 6.722 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.648 5.905 -9.573 1.00 0.00 H new ATOM 419 N MET A 26 15.929 2.803 -7.419 1.00 0.00 N ATOM 420 CA MET A 26 16.555 2.534 -6.116 1.00 0.00 C ATOM 421 C MET A 26 15.487 2.308 -5.036 1.00 0.00 C ATOM 422 O MET A 26 15.316 3.136 -4.141 1.00 0.00 O ATOM 423 CB MET A 26 17.491 3.689 -5.709 1.00 0.00 C ATOM 424 CG MET A 26 18.969 3.315 -5.720 1.00 0.00 C ATOM 425 SD MET A 26 20.056 4.754 -5.758 1.00 0.00 S ATOM 426 CE MET A 26 21.665 3.965 -5.762 1.00 0.00 C ATOM 0 H MET A 26 14.912 2.728 -7.417 1.00 0.00 H new ATOM 0 HA MET A 26 17.150 1.625 -6.210 1.00 0.00 H new ATOM 0 HB2 MET A 26 17.333 4.528 -6.386 1.00 0.00 H new ATOM 0 HB3 MET A 26 17.219 4.030 -4.710 1.00 0.00 H new ATOM 0 HG2 MET A 26 19.194 2.719 -4.836 1.00 0.00 H new ATOM 0 HG3 MET A 26 19.174 2.688 -6.588 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.444 4.727 -5.784 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.776 3.359 -4.862 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.756 3.328 -6.642 1.00 0.00 H new ATOM 436 N PRO A 27 14.745 1.180 -5.119 1.00 0.00 N ATOM 437 CA PRO A 27 13.681 0.811 -4.187 1.00 0.00 C ATOM 438 C PRO A 27 13.766 1.472 -2.799 1.00 0.00 C ATOM 439 O PRO A 27 12.800 2.091 -2.351 1.00 0.00 O ATOM 440 CB PRO A 27 13.871 -0.704 -4.093 1.00 0.00 C ATOM 441 CG PRO A 27 14.466 -1.120 -5.415 1.00 0.00 C ATOM 442 CD PRO A 27 14.865 0.143 -6.152 1.00 0.00 C ATOM 0 HA PRO A 27 12.704 1.143 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.531 -0.966 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.921 -1.208 -3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.332 -1.764 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.744 -1.692 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.880 0.078 -6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.209 0.340 -7.000 1.00 0.00 H new ATOM 450 N ASP A 28 14.910 1.337 -2.119 1.00 0.00 N ATOM 451 CA ASP A 28 15.082 1.925 -0.782 1.00 0.00 C ATOM 452 C ASP A 28 15.502 3.393 -0.856 1.00 0.00 C ATOM 453 O ASP A 28 15.005 4.219 -0.089 1.00 0.00 O ATOM 454 CB ASP A 28 16.095 1.117 0.045 1.00 0.00 C ATOM 455 CG ASP A 28 17.458 1.017 -0.618 1.00 0.00 C ATOM 456 OD1 ASP A 28 17.649 0.104 -1.449 1.00 0.00 O ATOM 457 OD2 ASP A 28 18.333 1.852 -0.306 1.00 0.00 O ATOM 0 H ASP A 28 15.725 0.831 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 28 14.113 1.884 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.207 1.580 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.703 0.113 0.210 1.00 0.00 H new ATOM 462 N SER A 29 16.397 3.722 -1.788 1.00 0.00 N ATOM 463 CA SER A 29 16.849 5.104 -1.958 1.00 0.00 C ATOM 464 C SER A 29 15.907 5.852 -2.909 1.00 0.00 C ATOM 465 O SER A 29 16.348 6.619 -3.769 1.00 0.00 O ATOM 466 CB SER A 29 18.293 5.140 -2.478 1.00 0.00 C ATOM 467 OG SER A 29 18.814 3.832 -2.643 1.00 0.00 O ATOM 0 H SER A 29 16.821 3.056 -2.433 1.00 0.00 H new ATOM 0 HA SER A 29 16.829 5.602 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.326 5.670 -3.430 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.919 5.698 -1.781 1.00 0.00 H new ATOM 0 HG SER A 29 19.734 3.886 -2.976 1.00 0.00 H new ATOM 473 N ASP A 30 14.601 5.613 -2.741 1.00 0.00 N ATOM 474 CA ASP A 30 13.583 6.244 -3.570 1.00 0.00 C ATOM 475 C ASP A 30 12.544 6.974 -2.725 1.00 0.00 C ATOM 476 O ASP A 30 11.948 7.937 -3.191 1.00 0.00 O ATOM 477 CB ASP A 30 12.887 5.202 -4.452 1.00 0.00 C ATOM 478 CG ASP A 30 13.727 4.778 -5.643 1.00 0.00 C ATOM 479 OD1 ASP A 30 14.753 5.439 -5.921 1.00 0.00 O ATOM 480 OD2 ASP A 30 13.360 3.781 -6.296 1.00 0.00 O ATOM 0 H ASP A 30 14.229 4.982 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 30 14.086 6.976 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.650 4.324 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.941 5.609 -4.808 1.00 0.00 H new ATOM 485 N ALA A 31 12.317 6.520 -1.484 1.00 0.00 N ATOM 486 CA ALA A 31 11.333 7.163 -0.612 1.00 0.00 C ATOM 487 C ALA A 31 11.628 8.650 -0.413 1.00 0.00 C ATOM 488 O ALA A 31 10.708 9.471 -0.389 1.00 0.00 O ATOM 489 CB ALA A 31 11.274 6.458 0.726 1.00 0.00 C ATOM 0 H ALA A 31 12.796 5.721 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 31 10.363 7.084 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.538 6.948 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.989 5.417 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.253 6.501 1.203 1.00 0.00 H new ATOM 495 N VAL A 32 12.909 8.992 -0.280 1.00 0.00 N ATOM 496 CA VAL A 32 13.310 10.383 -0.098 1.00 0.00 C ATOM 497 C VAL A 32 13.286 11.129 -1.428 1.00 0.00 C ATOM 498 O VAL A 32 13.060 12.340 -1.464 1.00 0.00 O ATOM 499 CB VAL A 32 14.710 10.502 0.542 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.058 11.959 0.833 1.00 0.00 C ATOM 501 CG2 VAL A 32 14.800 9.661 1.811 1.00 0.00 C ATOM 0 H VAL A 32 13.682 8.327 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 32 12.589 10.836 0.583 1.00 0.00 H new ATOM 0 HB VAL A 32 15.438 10.119 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.049 12.013 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.050 12.528 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.324 12.378 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.795 9.761 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.056 10.005 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.613 8.615 1.568 1.00 0.00 H new ATOM 511 N LYS A 33 13.480 10.393 -2.525 1.00 0.00 N ATOM 512 CA LYS A 33 13.438 10.978 -3.860 1.00 0.00 C ATOM 513 C LYS A 33 11.994 11.021 -4.352 1.00 0.00 C ATOM 514 O LYS A 33 11.632 11.867 -5.167 1.00 0.00 O ATOM 515 CB LYS A 33 14.314 10.177 -4.834 1.00 0.00 C ATOM 516 CG LYS A 33 15.751 9.983 -4.362 1.00 0.00 C ATOM 517 CD LYS A 33 16.512 11.303 -4.301 1.00 0.00 C ATOM 518 CE LYS A 33 17.992 11.087 -4.012 1.00 0.00 C ATOM 519 NZ LYS A 33 18.740 10.644 -5.222 1.00 0.00 N ATOM 0 H LYS A 33 13.668 9.390 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 33 13.832 11.993 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.860 9.199 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.325 10.685 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.750 9.519 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.265 9.298 -5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.399 11.832 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.079 11.937 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.427 12.013 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.102 10.341 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.742 10.509 -4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.343 9.747 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.657 11.367 -5.965 1.00 0.00 H new ATOM 533 N PHE A 34 11.167 10.112 -3.819 1.00 0.00 N ATOM 534 CA PHE A 34 9.752 10.045 -4.165 1.00 0.00 C ATOM 535 C PHE A 34 9.073 11.354 -3.755 1.00 0.00 C ATOM 536 O PHE A 34 8.698 12.152 -4.613 1.00 0.00 O ATOM 537 CB PHE A 34 9.088 8.832 -3.469 1.00 0.00 C ATOM 538 CG PHE A 34 9.263 7.519 -4.186 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.347 6.336 -3.471 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.310 7.462 -5.571 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.475 5.128 -4.119 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.441 6.258 -6.223 1.00 0.00 C ATOM 543 CZ PHE A 34 9.523 5.087 -5.498 1.00 0.00 C ATOM 0 H PHE A 34 11.463 9.410 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 34 9.642 9.912 -5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.498 8.738 -2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.022 9.032 -3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.312 6.361 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.243 8.375 -6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.538 4.213 -3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.480 6.229 -7.302 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.625 4.141 -6.008 1.00 0.00 H new ATOM 553 N GLU A 35 8.912 11.550 -2.436 1.00 0.00 N ATOM 554 CA GLU A 35 8.272 12.752 -1.869 1.00 0.00 C ATOM 555 C GLU A 35 8.281 13.957 -2.826 1.00 0.00 C ATOM 556 O GLU A 35 7.249 14.596 -3.026 1.00 0.00 O ATOM 557 CB GLU A 35 8.960 13.140 -0.554 1.00 0.00 C ATOM 558 CG GLU A 35 8.585 12.246 0.619 1.00 0.00 C ATOM 559 CD GLU A 35 9.395 12.546 1.866 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.964 13.406 2.663 1.00 0.00 O ATOM 561 OE2 GLU A 35 10.462 11.920 2.047 1.00 0.00 O ATOM 0 H GLU A 35 9.221 10.881 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 35 7.228 12.492 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.040 13.105 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.703 14.171 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.525 12.370 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.732 11.203 0.337 1.00 0.00 H new ATOM 568 N HIS A 36 9.449 14.267 -3.402 1.00 0.00 N ATOM 569 CA HIS A 36 9.589 15.404 -4.326 1.00 0.00 C ATOM 570 C HIS A 36 8.547 15.365 -5.449 1.00 0.00 C ATOM 571 O HIS A 36 7.751 16.293 -5.603 1.00 0.00 O ATOM 572 CB HIS A 36 10.990 15.432 -4.957 1.00 0.00 C ATOM 573 CG HIS A 36 12.114 15.229 -3.998 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.308 15.998 -2.870 1.00 0.00 N ATOM 575 CD2 HIS A 36 13.119 14.330 -4.021 1.00 0.00 C ATOM 576 CE1 HIS A 36 13.391 15.579 -2.239 1.00 0.00 C ATOM 577 NE2 HIS A 36 13.902 14.567 -2.918 1.00 0.00 N ATOM 0 H HIS A 36 10.313 13.747 -3.246 1.00 0.00 H new ATOM 0 HA HIS A 36 9.431 16.304 -3.731 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.042 14.660 -5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.128 16.390 -5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.278 13.566 -4.768 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.790 15.993 -1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 36 14.742 14.046 -2.664 1.00 0.00 H new ATOM 586 N HIS A 37 8.576 14.291 -6.241 1.00 0.00 N ATOM 587 CA HIS A 37 7.654 14.124 -7.370 1.00 0.00 C ATOM 588 C HIS A 37 6.254 13.745 -6.899 1.00 0.00 C ATOM 589 O HIS A 37 5.262 14.051 -7.561 1.00 0.00 O ATOM 590 CB HIS A 37 8.174 13.055 -8.336 1.00 0.00 C ATOM 591 CG HIS A 37 9.647 13.042 -8.444 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.569 12.333 -7.763 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.334 13.853 -9.304 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 11.796 12.729 -8.221 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 11.619 13.650 -9.151 1.00 0.00 N flip ATOM 0 H HIS A 37 9.232 13.519 -6.121 1.00 0.00 H new ATOM 0 HA HIS A 37 7.597 15.083 -7.886 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.831 12.075 -8.004 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.744 13.225 -9.323 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.387 11.634 -7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.888 14.550 -9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.749 12.352 -7.880 1.00 0.00 H new ATOM 604 N PHE A 38 6.185 13.057 -5.759 1.00 0.00 N ATOM 605 CA PHE A 38 4.911 12.611 -5.202 1.00 0.00 C ATOM 606 C PHE A 38 4.106 13.775 -4.602 1.00 0.00 C ATOM 607 O PHE A 38 2.896 13.655 -4.407 1.00 0.00 O ATOM 608 CB PHE A 38 5.146 11.531 -4.137 1.00 0.00 C ATOM 609 CG PHE A 38 5.613 10.192 -4.675 1.00 0.00 C ATOM 610 CD1 PHE A 38 5.536 9.053 -3.869 1.00 0.00 C ATOM 611 CD2 PHE A 38 6.124 10.055 -5.974 1.00 0.00 C ATOM 612 CE1 PHE A 38 5.944 7.824 -4.344 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.531 8.820 -6.441 1.00 0.00 C ATOM 614 CZ PHE A 38 6.437 7.707 -5.627 1.00 0.00 C ATOM 0 H PHE A 38 7.000 12.797 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 38 4.326 12.193 -6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.886 11.898 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.219 11.380 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.153 9.136 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.200 10.922 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.877 6.952 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.923 8.724 -7.443 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.751 6.742 -5.997 1.00 0.00 H new ATOM 624 N GLU A 39 4.774 14.898 -4.311 1.00 0.00 N ATOM 625 CA GLU A 39 4.097 16.068 -3.741 1.00 0.00 C ATOM 626 C GLU A 39 3.219 16.750 -4.791 1.00 0.00 C ATOM 627 O GLU A 39 2.038 17.007 -4.549 1.00 0.00 O ATOM 628 CB GLU A 39 5.120 17.064 -3.176 1.00 0.00 C ATOM 629 CG GLU A 39 4.518 18.094 -2.230 1.00 0.00 C ATOM 630 CD GLU A 39 5.556 19.040 -1.656 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.124 18.724 -0.590 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.800 20.099 -2.274 1.00 0.00 O ATOM 0 H GLU A 39 5.776 15.021 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 39 3.459 15.726 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.898 16.512 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.603 17.583 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.761 18.671 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.011 17.579 -1.414 1.00 0.00 H new ATOM 639 N GLU A 40 3.797 17.022 -5.963 1.00 0.00 N ATOM 640 CA GLU A 40 3.064 17.653 -7.059 1.00 0.00 C ATOM 641 C GLU A 40 2.016 16.699 -7.631 1.00 0.00 C ATOM 642 O GLU A 40 1.068 17.121 -8.293 1.00 0.00 O ATOM 643 CB GLU A 40 4.028 18.082 -8.171 1.00 0.00 C ATOM 644 CG GLU A 40 4.680 16.928 -8.925 1.00 0.00 C ATOM 645 CD GLU A 40 6.189 17.065 -9.024 1.00 0.00 C ATOM 646 OE1 GLU A 40 6.831 17.354 -7.992 1.00 0.00 O ATOM 647 OE2 GLU A 40 6.729 16.883 -10.136 1.00 0.00 O ATOM 0 H GLU A 40 4.773 16.814 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 40 2.559 18.534 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.486 18.704 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.811 18.703 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.437 15.990 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.259 16.872 -9.929 1.00 0.00 H new ATOM 654 N SER A 41 2.220 15.408 -7.377 1.00 0.00 N ATOM 655 CA SER A 41 1.329 14.352 -7.860 1.00 0.00 C ATOM 656 C SER A 41 -0.063 14.404 -7.225 1.00 0.00 C ATOM 657 O SER A 41 -0.977 13.746 -7.714 1.00 0.00 O ATOM 658 CB SER A 41 1.951 12.983 -7.586 1.00 0.00 C ATOM 659 OG SER A 41 1.598 12.500 -6.302 1.00 0.00 O ATOM 0 H SER A 41 3.009 15.063 -6.830 1.00 0.00 H new ATOM 0 HA SER A 41 1.206 14.515 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.622 12.274 -8.346 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.036 13.053 -7.664 1.00 0.00 H new ATOM 0 HG SER A 41 1.930 13.118 -5.617 1.00 0.00 H new ATOM 665 N SER A 42 -0.219 15.160 -6.132 1.00 0.00 N ATOM 666 CA SER A 42 -1.510 15.262 -5.434 1.00 0.00 C ATOM 667 C SER A 42 -2.712 15.104 -6.387 1.00 0.00 C ATOM 668 O SER A 42 -3.562 14.242 -6.163 1.00 0.00 O ATOM 669 CB SER A 42 -1.600 16.590 -4.663 1.00 0.00 C ATOM 670 OG SER A 42 -2.922 17.106 -4.672 1.00 0.00 O ATOM 0 H SER A 42 0.530 15.710 -5.711 1.00 0.00 H new ATOM 0 HA SER A 42 -1.557 14.434 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.274 16.438 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.921 17.317 -5.108 1.00 0.00 H new ATOM 0 HG SER A 42 -2.948 17.949 -4.173 1.00 0.00 H new ATOM 676 N PRO A 43 -2.811 15.925 -7.460 1.00 0.00 N ATOM 677 CA PRO A 43 -3.931 15.852 -8.423 1.00 0.00 C ATOM 678 C PRO A 43 -4.067 14.500 -9.123 1.00 0.00 C ATOM 679 O PRO A 43 -5.182 14.060 -9.396 1.00 0.00 O ATOM 680 CB PRO A 43 -3.605 16.948 -9.437 1.00 0.00 C ATOM 681 CG PRO A 43 -2.701 17.874 -8.710 1.00 0.00 C ATOM 682 CD PRO A 43 -1.866 16.997 -7.827 1.00 0.00 C ATOM 0 HA PRO A 43 -4.886 15.980 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.122 16.537 -10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.508 17.458 -9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.079 18.441 -9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.267 18.598 -8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.993 16.607 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.500 17.533 -6.951 1.00 0.00 H new ATOM 690 N CYS A 44 -2.951 13.828 -9.388 1.00 0.00 N ATOM 691 CA CYS A 44 -2.987 12.515 -10.030 1.00 0.00 C ATOM 692 C CYS A 44 -3.221 11.440 -8.977 1.00 0.00 C ATOM 693 O CYS A 44 -3.946 10.467 -9.197 1.00 0.00 O ATOM 694 CB CYS A 44 -1.665 12.234 -10.753 1.00 0.00 C ATOM 695 SG CYS A 44 -1.507 10.524 -11.372 1.00 0.00 S ATOM 0 H CYS A 44 -2.014 14.167 -9.170 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.798 12.505 -10.758 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.567 12.924 -11.591 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.839 12.441 -10.072 1.00 0.00 H new ATOM 700 N LEU A 45 -2.572 11.636 -7.837 1.00 0.00 N ATOM 701 CA LEU A 45 -2.639 10.731 -6.717 1.00 0.00 C ATOM 702 C LEU A 45 -3.985 10.799 -5.979 1.00 0.00 C ATOM 703 O LEU A 45 -4.247 9.977 -5.098 1.00 0.00 O ATOM 704 CB LEU A 45 -1.476 11.065 -5.789 1.00 0.00 C ATOM 705 CG LEU A 45 -0.576 9.905 -5.438 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.255 9.473 -6.642 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.325 10.254 -4.263 1.00 0.00 C ATOM 0 H LEU A 45 -1.975 12.446 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.562 9.705 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.872 11.843 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.878 11.484 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.210 9.068 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.894 8.636 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.408 9.168 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.874 10.306 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.964 9.402 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.945 11.112 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.287 10.498 -3.395 1.00 0.00 H new ATOM 719 N GLU A 46 -4.851 11.749 -6.360 1.00 0.00 N ATOM 720 CA GLU A 46 -6.182 11.871 -5.746 1.00 0.00 C ATOM 721 C GLU A 46 -7.261 11.616 -6.803 1.00 0.00 C ATOM 722 O GLU A 46 -8.457 11.800 -6.571 1.00 0.00 O ATOM 723 CB GLU A 46 -6.353 13.247 -5.112 1.00 0.00 C ATOM 724 CG GLU A 46 -5.353 13.506 -4.001 1.00 0.00 C ATOM 725 CD GLU A 46 -6.009 13.720 -2.650 1.00 0.00 C ATOM 726 OE1 GLU A 46 -6.096 14.884 -2.208 1.00 0.00 O ATOM 727 OE2 GLU A 46 -6.438 12.720 -2.034 1.00 0.00 O ATOM 0 H GLU A 46 -4.656 12.440 -7.085 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.283 11.126 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.244 14.013 -5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.364 13.337 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.665 12.663 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.758 14.384 -4.253 1.00 0.00 H new ATOM 734 N LYS A 47 -6.786 11.131 -7.945 1.00 0.00 N ATOM 735 CA LYS A 47 -7.645 10.757 -9.074 1.00 0.00 C ATOM 736 C LYS A 47 -7.908 9.254 -9.069 1.00 0.00 C ATOM 737 O LYS A 47 -8.797 8.762 -9.767 1.00 0.00 O ATOM 738 CB LYS A 47 -7.047 11.202 -10.421 1.00 0.00 C ATOM 739 CG LYS A 47 -7.397 12.638 -10.809 1.00 0.00 C ATOM 740 CD LYS A 47 -7.989 13.417 -9.637 1.00 0.00 C ATOM 741 CE LYS A 47 -8.173 14.890 -9.968 1.00 0.00 C ATOM 742 NZ LYS A 47 -9.208 15.102 -11.021 1.00 0.00 N ATOM 0 H LYS A 47 -5.792 10.984 -8.119 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.594 11.279 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.963 11.102 -10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.398 10.529 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.501 13.146 -11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.109 12.628 -11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.951 12.984 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.336 13.319 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.458 15.431 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.224 15.307 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.785 15.605 -11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.572 14.182 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.989 15.667 -10.631 1.00 0.00 H new ATOM 756 N TYR A 48 -7.128 8.537 -8.264 1.00 0.00 N ATOM 757 CA TYR A 48 -7.259 7.083 -8.137 1.00 0.00 C ATOM 758 C TYR A 48 -7.150 6.625 -6.677 1.00 0.00 C ATOM 759 O TYR A 48 -7.597 5.527 -6.337 1.00 0.00 O ATOM 760 CB TYR A 48 -6.204 6.372 -8.993 1.00 0.00 C ATOM 761 CG TYR A 48 -6.390 6.584 -10.483 1.00 0.00 C ATOM 762 CD1 TYR A 48 -7.331 5.849 -11.195 1.00 0.00 C ATOM 763 CD2 TYR A 48 -5.635 7.526 -11.174 1.00 0.00 C ATOM 764 CE1 TYR A 48 -7.516 6.046 -12.550 1.00 0.00 C ATOM 765 CE2 TYR A 48 -5.813 7.727 -12.530 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.754 6.986 -13.213 1.00 0.00 C ATOM 767 OH TYR A 48 -6.936 7.186 -14.563 1.00 0.00 O ATOM 0 H TYR A 48 -6.392 8.941 -7.684 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.252 6.814 -8.496 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.215 6.727 -8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.234 5.304 -8.780 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.928 5.111 -10.680 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.898 8.110 -10.643 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.253 5.467 -13.087 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.218 8.461 -13.052 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.322 7.883 -14.876 1.00 0.00 H new ATOM 777 N GLY A 49 -6.553 7.460 -5.819 1.00 0.00 N ATOM 778 CA GLY A 49 -6.398 7.114 -4.422 1.00 0.00 C ATOM 779 C GLY A 49 -5.046 6.497 -4.136 1.00 0.00 C ATOM 780 O GLY A 49 -4.945 5.542 -3.365 1.00 0.00 O ATOM 0 H GLY A 49 -6.175 8.372 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.525 8.008 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.183 6.416 -4.132 1.00 0.00 H new ATOM 784 N LEU A 50 -4.005 7.044 -4.766 1.00 0.00 N ATOM 785 CA LEU A 50 -2.646 6.541 -4.585 1.00 0.00 C ATOM 786 C LEU A 50 -1.937 7.235 -3.420 1.00 0.00 C ATOM 787 O LEU A 50 -0.967 6.698 -2.887 1.00 0.00 O ATOM 788 CB LEU A 50 -1.831 6.714 -5.874 1.00 0.00 C ATOM 789 CG LEU A 50 -2.125 5.700 -6.989 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.239 5.976 -8.197 1.00 0.00 C ATOM 791 CD2 LEU A 50 -1.937 4.267 -6.498 1.00 0.00 C ATOM 0 H LEU A 50 -4.079 7.835 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.720 5.479 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.010 7.716 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.772 6.654 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.168 5.813 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.456 5.251 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.434 6.982 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.192 5.893 -7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.153 3.573 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.908 4.128 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.616 4.075 -5.667 1.00 0.00 H new ATOM 803 N GLU A 51 -2.416 8.423 -3.016 1.00 0.00 N ATOM 804 CA GLU A 51 -1.794 9.152 -1.897 1.00 0.00 C ATOM 805 C GLU A 51 -1.535 8.200 -0.725 1.00 0.00 C ATOM 806 O GLU A 51 -0.398 7.980 -0.327 1.00 0.00 O ATOM 807 CB GLU A 51 -2.694 10.312 -1.439 1.00 0.00 C ATOM 808 CG GLU A 51 -2.386 11.639 -2.119 1.00 0.00 C ATOM 809 CD GLU A 51 -2.892 12.836 -1.333 1.00 0.00 C ATOM 810 OE1 GLU A 51 -2.252 13.907 -1.406 1.00 0.00 O ATOM 811 OE2 GLU A 51 -3.926 12.705 -0.643 1.00 0.00 O ATOM 0 H GLU A 51 -3.217 8.893 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.844 9.562 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.734 10.049 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.591 10.435 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.309 11.730 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.836 11.646 -3.112 1.00 0.00 H new ATOM 818 N GLN A 52 -2.618 7.623 -0.222 1.00 0.00 N ATOM 819 CA GLN A 52 -2.567 6.663 0.885 1.00 0.00 C ATOM 820 C GLN A 52 -1.522 5.579 0.620 1.00 0.00 C ATOM 821 O GLN A 52 -0.869 5.101 1.542 1.00 0.00 O ATOM 822 CB GLN A 52 -3.937 6.003 1.112 1.00 0.00 C ATOM 823 CG GLN A 52 -5.126 6.914 0.840 1.00 0.00 C ATOM 824 CD GLN A 52 -6.099 6.981 2.003 1.00 0.00 C ATOM 825 OE1 GLN A 52 -7.080 6.237 2.049 1.00 0.00 O ATOM 826 NE2 GLN A 52 -5.835 7.874 2.952 1.00 0.00 N ATOM 0 H GLN A 52 -3.561 7.804 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.289 7.218 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.014 5.124 0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.992 5.652 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.764 7.918 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.652 6.561 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.012 8.471 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.456 7.962 3.757 1.00 0.00 H new ATOM 835 N ALA A 53 -1.384 5.190 -0.649 1.00 0.00 N ATOM 836 CA ALA A 53 -0.428 4.150 -1.044 1.00 0.00 C ATOM 837 C ALA A 53 1.025 4.648 -1.036 1.00 0.00 C ATOM 838 O ALA A 53 1.866 4.099 -0.326 1.00 0.00 O ATOM 839 CB ALA A 53 -0.788 3.594 -2.417 1.00 0.00 C ATOM 0 H ALA A 53 -1.922 5.579 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.497 3.356 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.070 2.823 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.789 3.163 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.763 4.398 -3.153 1.00 0.00 H new ATOM 845 N VAL A 54 1.321 5.670 -1.847 1.00 0.00 N ATOM 846 CA VAL A 54 2.687 6.216 -1.945 1.00 0.00 C ATOM 847 C VAL A 54 3.228 6.672 -0.590 1.00 0.00 C ATOM 848 O VAL A 54 4.431 6.582 -0.346 1.00 0.00 O ATOM 849 CB VAL A 54 2.801 7.367 -2.976 1.00 0.00 C ATOM 850 CG1 VAL A 54 1.916 7.108 -4.192 1.00 0.00 C ATOM 851 CG2 VAL A 54 2.482 8.721 -2.346 1.00 0.00 C ATOM 0 H VAL A 54 0.639 6.137 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 54 3.302 5.389 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 54 3.837 7.398 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.017 7.932 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.222 6.179 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.876 7.027 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.573 9.503 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.465 8.710 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.181 8.918 -1.533 1.00 0.00 H new ATOM 861 N LYS A 55 2.344 7.125 0.299 1.00 0.00 N ATOM 862 CA LYS A 55 2.757 7.546 1.639 1.00 0.00 C ATOM 863 C LYS A 55 3.503 6.396 2.316 1.00 0.00 C ATOM 864 O LYS A 55 4.500 6.597 3.010 1.00 0.00 O ATOM 865 CB LYS A 55 1.536 7.940 2.476 1.00 0.00 C ATOM 866 CG LYS A 55 0.675 9.020 1.835 1.00 0.00 C ATOM 867 CD LYS A 55 1.046 10.411 2.332 1.00 0.00 C ATOM 868 CE LYS A 55 -0.112 11.391 2.198 1.00 0.00 C ATOM 869 NZ LYS A 55 -0.236 11.925 0.812 1.00 0.00 N ATOM 0 H LYS A 55 1.344 7.210 0.118 1.00 0.00 H new ATOM 0 HA LYS A 55 3.412 8.413 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.924 7.055 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.873 8.289 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.788 8.979 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.375 8.824 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.353 10.353 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.902 10.781 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.041 10.895 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.031 12.218 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.036 12.588 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.640 12.421 0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.399 11.139 0.150 1.00 0.00 H new ATOM 883 N LYS A 56 2.993 5.187 2.079 1.00 0.00 N ATOM 884 CA LYS A 56 3.586 3.975 2.631 1.00 0.00 C ATOM 885 C LYS A 56 4.978 3.771 2.033 1.00 0.00 C ATOM 886 O LYS A 56 5.900 3.343 2.725 1.00 0.00 O ATOM 887 CB LYS A 56 2.692 2.749 2.401 1.00 0.00 C ATOM 888 CG LYS A 56 1.569 2.618 3.429 1.00 0.00 C ATOM 889 CD LYS A 56 0.614 3.806 3.373 1.00 0.00 C ATOM 890 CE LYS A 56 0.504 4.557 4.699 1.00 0.00 C ATOM 891 NZ LYS A 56 1.834 4.868 5.300 1.00 0.00 N ATOM 0 H LYS A 56 2.166 5.024 1.505 1.00 0.00 H new ATOM 0 HA LYS A 56 3.678 4.094 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.257 2.807 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.307 1.849 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.015 1.697 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.997 2.542 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.949 4.497 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.375 3.454 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.044 5.486 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.077 3.960 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.705 5.478 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.300 3.984 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.425 5.359 4.599 1.00 0.00 H new ATOM 905 N LEU A 57 5.130 4.108 0.745 1.00 0.00 N ATOM 906 CA LEU A 57 6.421 3.996 0.061 1.00 0.00 C ATOM 907 C LEU A 57 7.402 4.992 0.643 1.00 0.00 C ATOM 908 O LEU A 57 8.571 4.677 0.854 1.00 0.00 O ATOM 909 CB LEU A 57 6.286 4.285 -1.432 1.00 0.00 C ATOM 910 CG LEU A 57 5.260 3.457 -2.208 1.00 0.00 C ATOM 911 CD1 LEU A 57 5.874 2.975 -3.514 1.00 0.00 C ATOM 912 CD2 LEU A 57 4.730 2.282 -1.399 1.00 0.00 C ATOM 0 H LEU A 57 4.374 4.460 0.158 1.00 0.00 H new ATOM 0 HA LEU A 57 6.777 2.975 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.032 5.338 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.261 4.137 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 57 4.406 4.101 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.141 2.385 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.174 3.834 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.748 2.360 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.006 1.727 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.556 1.625 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.248 2.651 -0.494 1.00 0.00 H new ATOM 924 N VAL A 58 6.909 6.197 0.913 1.00 0.00 N ATOM 925 CA VAL A 58 7.747 7.250 1.495 1.00 0.00 C ATOM 926 C VAL A 58 8.464 6.721 2.748 1.00 0.00 C ATOM 927 O VAL A 58 9.641 7.006 2.973 1.00 0.00 O ATOM 928 CB VAL A 58 6.924 8.515 1.856 1.00 0.00 C ATOM 929 CG1 VAL A 58 7.776 9.526 2.618 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.333 9.149 0.602 1.00 0.00 C ATOM 0 H VAL A 58 5.942 6.471 0.741 1.00 0.00 H new ATOM 0 HA VAL A 58 8.482 7.536 0.743 1.00 0.00 H new ATOM 0 HB VAL A 58 6.105 8.207 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.174 10.402 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.141 9.073 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.623 9.826 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.760 10.034 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.138 9.434 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.678 8.433 0.106 1.00 0.00 H new ATOM 940 N LYS A 59 7.729 5.946 3.552 1.00 0.00 N ATOM 941 CA LYS A 59 8.250 5.352 4.778 1.00 0.00 C ATOM 942 C LYS A 59 9.547 4.572 4.542 1.00 0.00 C ATOM 943 O LYS A 59 10.411 4.532 5.421 1.00 0.00 O ATOM 944 CB LYS A 59 7.181 4.438 5.374 1.00 0.00 C ATOM 945 CG LYS A 59 7.722 3.323 6.265 1.00 0.00 C ATOM 946 CD LYS A 59 7.706 1.990 5.535 1.00 0.00 C ATOM 947 CE LYS A 59 6.323 1.352 5.540 1.00 0.00 C ATOM 948 NZ LYS A 59 6.155 0.370 4.432 1.00 0.00 N ATOM 0 H LYS A 59 6.753 5.715 3.366 1.00 0.00 H new ATOM 0 HA LYS A 59 8.492 6.157 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.486 5.044 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.610 3.990 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.740 3.561 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.121 3.253 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.034 2.137 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.420 1.312 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.158 0.853 6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.565 2.130 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.200 -0.040 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.286 0.851 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.861 -0.387 4.529 1.00 0.00 H new ATOM 962 N ARG A 60 9.677 3.946 3.366 1.00 0.00 N ATOM 963 CA ARG A 60 10.874 3.157 3.036 1.00 0.00 C ATOM 964 C ARG A 60 12.139 3.831 3.587 1.00 0.00 C ATOM 965 O ARG A 60 12.944 3.196 4.259 1.00 0.00 O ATOM 966 CB ARG A 60 10.991 2.948 1.520 1.00 0.00 C ATOM 967 CG ARG A 60 9.788 2.234 0.903 1.00 0.00 C ATOM 968 CD ARG A 60 10.144 0.843 0.405 1.00 0.00 C ATOM 969 NE ARG A 60 9.385 0.471 -0.792 1.00 0.00 N ATOM 970 CZ ARG A 60 9.442 -0.732 -1.373 1.00 0.00 C ATOM 971 NH1 ARG A 60 10.220 -1.691 -0.875 1.00 0.00 N ATOM 972 NH2 ARG A 60 8.717 -0.976 -2.458 1.00 0.00 N ATOM 0 H ARG A 60 8.972 3.969 2.629 1.00 0.00 H new ATOM 0 HA ARG A 60 10.773 2.179 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.114 3.917 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.892 2.371 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.991 2.161 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.400 2.827 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.211 0.800 0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.952 0.116 1.195 1.00 0.00 H new ATOM 0 HE ARG A 60 8.775 1.174 -1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.780 -1.512 -0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.255 -2.605 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.119 -0.247 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.758 -1.893 -2.903 1.00 0.00 H new ATOM 986 N ALA A 61 12.272 5.130 3.314 1.00 0.00 N ATOM 987 CA ALA A 61 13.399 5.949 3.785 1.00 0.00 C ATOM 988 C ALA A 61 14.557 5.123 4.377 1.00 0.00 C ATOM 989 O ALA A 61 15.365 4.565 3.632 1.00 0.00 O ATOM 990 CB ALA A 61 12.889 6.974 4.794 1.00 0.00 C ATOM 0 H ALA A 61 11.597 5.651 2.755 1.00 0.00 H new ATOM 0 HA ALA A 61 13.818 6.455 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.721 7.583 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.146 7.614 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.435 6.457 5.639 1.00 0.00 H new ATOM 996 N ALA A 62 14.640 5.058 5.716 1.00 0.00 N ATOM 997 CA ALA A 62 15.702 4.314 6.391 1.00 0.00 C ATOM 998 C ALA A 62 15.253 3.809 7.765 1.00 0.00 C ATOM 999 O ALA A 62 15.353 2.615 8.052 1.00 0.00 O ATOM 1000 CB ALA A 62 16.951 5.176 6.523 1.00 0.00 C ATOM 0 H ALA A 62 13.981 5.514 6.348 1.00 0.00 H new ATOM 0 HA ALA A 62 15.936 3.442 5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.733 4.609 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.297 5.469 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 62 16.718 6.068 7.104 1.00 0.00 H new ATOM 1006 N GLY A 63 14.754 4.723 8.611 1.00 0.00 N ATOM 1007 CA GLY A 63 14.295 4.344 9.944 1.00 0.00 C ATOM 1008 C GLY A 63 13.303 3.194 9.902 1.00 0.00 C ATOM 1009 O GLY A 63 13.632 2.069 10.281 1.00 0.00 O ATOM 0 H GLY A 63 14.661 5.715 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.152 4.061 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.831 5.205 10.425 1.00 0.00 H new ATOM 1013 N GLN A 64 12.096 3.475 9.408 1.00 0.00 N ATOM 1014 CA GLN A 64 11.057 2.453 9.275 1.00 0.00 C ATOM 1015 C GLN A 64 11.509 1.413 8.257 1.00 0.00 C ATOM 1016 O GLN A 64 11.840 0.281 8.616 1.00 0.00 O ATOM 1017 CB GLN A 64 9.738 3.102 8.846 1.00 0.00 C ATOM 1018 CG GLN A 64 9.051 3.877 9.963 1.00 0.00 C ATOM 1019 CD GLN A 64 7.641 4.309 9.600 1.00 0.00 C ATOM 1020 OE1 GLN A 64 7.431 5.403 9.078 1.00 0.00 O ATOM 1021 NE2 GLN A 64 6.664 3.448 9.875 1.00 0.00 N ATOM 0 H GLN A 64 11.814 4.403 9.093 1.00 0.00 H new ATOM 0 HA GLN A 64 10.895 1.961 10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.929 3.776 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.062 2.328 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.017 3.259 10.860 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.645 4.758 10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.882 2.551 10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.697 3.685 9.652 1.00 0.00 H new ATOM 1030 N ASP A 65 11.567 1.830 6.994 1.00 0.00 N ATOM 1031 CA ASP A 65 12.029 0.982 5.899 1.00 0.00 C ATOM 1032 C ASP A 65 11.497 -0.447 5.966 1.00 0.00 C ATOM 1033 O ASP A 65 12.201 -1.390 5.602 1.00 0.00 O ATOM 1034 CB ASP A 65 13.558 0.995 5.885 1.00 0.00 C ATOM 1035 CG ASP A 65 14.158 0.433 4.606 1.00 0.00 C ATOM 1036 OD1 ASP A 65 14.688 -0.698 4.647 1.00 0.00 O ATOM 1037 OD2 ASP A 65 14.102 1.123 3.566 1.00 0.00 O ATOM 0 H ASP A 65 11.294 2.768 6.701 1.00 0.00 H new ATOM 0 HA ASP A 65 11.633 1.393 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.906 2.019 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.926 0.418 6.734 1.00 0.00 H new ATOM 1042 N ASP A 66 10.247 -0.604 6.406 1.00 0.00 N ATOM 1043 CA ASP A 66 9.624 -1.919 6.477 1.00 0.00 C ATOM 1044 C ASP A 66 9.985 -2.753 5.240 1.00 0.00 C ATOM 1045 O ASP A 66 10.246 -3.952 5.345 1.00 0.00 O ATOM 1046 CB ASP A 66 8.102 -1.787 6.591 1.00 0.00 C ATOM 1047 CG ASP A 66 7.524 -2.626 7.714 1.00 0.00 C ATOM 1048 OD1 ASP A 66 7.430 -2.115 8.850 1.00 0.00 O ATOM 1049 OD2 ASP A 66 7.165 -3.795 7.458 1.00 0.00 O ATOM 0 H ASP A 66 9.651 0.163 6.717 1.00 0.00 H new ATOM 0 HA ASP A 66 10.000 -2.426 7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.843 -0.741 6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.644 -2.085 5.648 1.00 0.00 H new ATOM 1054 N VAL A 67 10.009 -2.086 4.069 1.00 0.00 N ATOM 1055 CA VAL A 67 10.349 -2.716 2.782 1.00 0.00 C ATOM 1056 C VAL A 67 9.945 -4.188 2.739 1.00 0.00 C ATOM 1057 O VAL A 67 10.773 -5.087 2.901 1.00 0.00 O ATOM 1058 CB VAL A 67 11.861 -2.566 2.437 1.00 0.00 C ATOM 1059 CG1 VAL A 67 12.255 -1.092 2.368 1.00 0.00 C ATOM 1060 CG2 VAL A 67 12.752 -3.317 3.427 1.00 0.00 C ATOM 0 H VAL A 67 9.792 -1.092 3.991 1.00 0.00 H new ATOM 0 HA VAL A 67 9.773 -2.183 2.025 1.00 0.00 H new ATOM 0 HB VAL A 67 12.015 -3.016 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.315 -1.010 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.667 -0.594 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.065 -0.619 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.797 -3.185 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.592 -2.924 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.503 -4.378 3.408 1.00 0.00 H new ATOM 1070 N PRO A 68 8.649 -4.445 2.507 1.00 0.00 N ATOM 1071 CA PRO A 68 8.122 -5.797 2.429 1.00 0.00 C ATOM 1072 C PRO A 68 8.350 -6.444 1.067 1.00 0.00 C ATOM 1073 O PRO A 68 7.970 -7.598 0.857 1.00 0.00 O ATOM 1074 CB PRO A 68 6.632 -5.602 2.710 1.00 0.00 C ATOM 1075 CG PRO A 68 6.319 -4.220 2.236 1.00 0.00 C ATOM 1076 CD PRO A 68 7.605 -3.426 2.294 1.00 0.00 C ATOM 0 HA PRO A 68 8.615 -6.473 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.032 -6.344 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.414 -5.712 3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.926 -4.242 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.555 -3.762 2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.772 -2.871 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.587 -2.698 3.105 1.00 0.00 H new ATOM 1084 N GLY A 69 8.955 -5.697 0.135 1.00 0.00 N ATOM 1085 CA GLY A 69 9.193 -6.222 -1.200 1.00 0.00 C ATOM 1086 C GLY A 69 7.914 -6.251 -2.012 1.00 0.00 C ATOM 1087 O GLY A 69 7.887 -5.833 -3.170 1.00 0.00 O ATOM 0 H GLY A 69 9.282 -4.742 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.936 -5.608 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.606 -7.228 -1.130 1.00 0.00 H new ATOM 1091 N ASP A 70 6.847 -6.746 -1.381 1.00 0.00 N ATOM 1092 CA ASP A 70 5.541 -6.838 -2.008 1.00 0.00 C ATOM 1093 C ASP A 70 4.858 -5.470 -2.108 1.00 0.00 C ATOM 1094 O ASP A 70 3.772 -5.375 -2.681 1.00 0.00 O ATOM 1095 CB ASP A 70 4.646 -7.810 -1.229 1.00 0.00 C ATOM 1096 CG ASP A 70 4.667 -9.213 -1.805 1.00 0.00 C ATOM 1097 OD1 ASP A 70 5.542 -10.008 -1.401 1.00 0.00 O ATOM 1098 OD2 ASP A 70 3.809 -9.517 -2.660 1.00 0.00 O ATOM 0 H ASP A 70 6.871 -7.092 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 70 5.691 -7.211 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.971 -7.843 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.622 -7.436 -1.231 1.00 0.00 H new ATOM 1103 N LEU A 71 5.485 -4.397 -1.584 1.00 0.00 N ATOM 1104 CA LEU A 71 4.885 -3.075 -1.684 1.00 0.00 C ATOM 1105 C LEU A 71 4.891 -2.645 -3.143 1.00 0.00 C ATOM 1106 O LEU A 71 3.864 -2.259 -3.696 1.00 0.00 O ATOM 1107 CB LEU A 71 5.646 -2.060 -0.819 1.00 0.00 C ATOM 1108 CG LEU A 71 4.888 -0.769 -0.488 1.00 0.00 C ATOM 1109 CD1 LEU A 71 3.378 -0.971 -0.563 1.00 0.00 C ATOM 1110 CD2 LEU A 71 5.295 -0.244 0.884 1.00 0.00 C ATOM 0 H LEU A 71 6.383 -4.428 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 71 3.860 -3.115 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.926 -2.545 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.571 -1.795 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 71 5.158 -0.025 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.873 -0.035 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.102 -1.283 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.078 -1.739 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.746 0.673 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.065 -0.992 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.365 -0.036 0.891 1.00 0.00 H new ATOM 1122 N ARG A 72 6.064 -2.758 -3.761 1.00 0.00 N ATOM 1123 CA ARG A 72 6.236 -2.429 -5.172 1.00 0.00 C ATOM 1124 C ARG A 72 5.247 -3.233 -6.009 1.00 0.00 C ATOM 1125 O ARG A 72 4.475 -2.673 -6.779 1.00 0.00 O ATOM 1126 CB ARG A 72 7.663 -2.731 -5.623 1.00 0.00 C ATOM 1127 CG ARG A 72 8.071 -2.026 -6.909 1.00 0.00 C ATOM 1128 CD ARG A 72 7.818 -2.878 -8.152 1.00 0.00 C ATOM 1129 NE ARG A 72 7.896 -4.320 -7.882 1.00 0.00 N ATOM 1130 CZ ARG A 72 9.036 -5.005 -7.740 1.00 0.00 C ATOM 1131 NH1 ARG A 72 10.213 -4.390 -7.817 1.00 0.00 N ATOM 1132 NH2 ARG A 72 8.996 -6.312 -7.512 1.00 0.00 N ATOM 0 H ARG A 72 6.916 -3.078 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 72 6.048 -1.364 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.352 -2.443 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.769 -3.807 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.520 -1.090 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.129 -1.769 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.833 -2.642 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.547 -2.617 -8.920 1.00 0.00 H new ATOM 0 HE ARG A 72 7.020 -4.835 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.253 -3.385 -7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.075 -4.924 -7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.098 -6.791 -7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.863 -6.838 -7.403 1.00 0.00 H new ATOM 1146 N ALA A 73 5.292 -4.558 -5.845 1.00 0.00 N ATOM 1147 CA ALA A 73 4.407 -5.465 -6.582 1.00 0.00 C ATOM 1148 C ALA A 73 2.960 -5.018 -6.429 1.00 0.00 C ATOM 1149 O ALA A 73 2.143 -5.167 -7.339 1.00 0.00 O ATOM 1150 CB ALA A 73 4.582 -6.899 -6.098 1.00 0.00 C ATOM 0 H ALA A 73 5.934 -5.028 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 73 4.673 -5.432 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.916 -7.556 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.615 -7.212 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.341 -6.957 -5.037 1.00 0.00 H new ATOM 1156 N LYS A 74 2.675 -4.438 -5.268 1.00 0.00 N ATOM 1157 CA LYS A 74 1.351 -3.918 -4.964 1.00 0.00 C ATOM 1158 C LYS A 74 1.163 -2.588 -5.686 1.00 0.00 C ATOM 1159 O LYS A 74 0.119 -2.333 -6.285 1.00 0.00 O ATOM 1160 CB LYS A 74 1.174 -3.743 -3.448 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.281 -3.667 -3.001 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.922 -5.046 -2.942 1.00 0.00 C ATOM 1163 CE LYS A 74 -2.409 -4.966 -2.623 1.00 0.00 C ATOM 1164 NZ LYS A 74 -2.659 -4.642 -1.190 1.00 0.00 N ATOM 0 H LYS A 74 3.353 -4.316 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 74 0.595 -4.625 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.658 -4.575 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.688 -2.834 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.336 -3.197 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.841 -3.034 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.782 -5.553 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.420 -5.648 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.874 -4.207 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.883 -5.917 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.684 -4.598 -1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.239 -5.379 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.229 -3.723 -0.962 1.00 0.00 H new ATOM 1178 N VAL A 75 2.208 -1.756 -5.636 1.00 0.00 N ATOM 1179 CA VAL A 75 2.196 -0.450 -6.295 1.00 0.00 C ATOM 1180 C VAL A 75 2.147 -0.627 -7.807 1.00 0.00 C ATOM 1181 O VAL A 75 1.223 -0.143 -8.459 1.00 0.00 O ATOM 1182 CB VAL A 75 3.432 0.397 -5.905 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.422 1.744 -6.621 1.00 0.00 C ATOM 1184 CG2 VAL A 75 3.493 0.587 -4.394 1.00 0.00 C ATOM 0 H VAL A 75 3.076 -1.967 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 75 1.305 0.082 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 75 4.326 -0.141 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.301 2.318 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.436 1.583 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.522 2.295 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.368 1.185 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.592 1.098 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.563 -0.386 -3.907 1.00 0.00 H new ATOM 1194 N MET A 76 3.141 -1.326 -8.364 1.00 0.00 N ATOM 1195 CA MET A 76 3.186 -1.566 -9.808 1.00 0.00 C ATOM 1196 C MET A 76 1.856 -2.160 -10.278 1.00 0.00 C ATOM 1197 O MET A 76 1.315 -1.761 -11.309 1.00 0.00 O ATOM 1198 CB MET A 76 4.368 -2.486 -10.177 1.00 0.00 C ATOM 1199 CG MET A 76 4.301 -3.886 -9.578 1.00 0.00 C ATOM 1200 SD MET A 76 3.748 -5.135 -10.759 1.00 0.00 S ATOM 1201 CE MET A 76 5.289 -5.538 -11.578 1.00 0.00 C ATOM 0 H MET A 76 3.918 -1.732 -7.842 1.00 0.00 H new ATOM 0 HA MET A 76 3.341 -0.615 -10.318 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.417 -2.573 -11.262 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.294 -2.011 -9.853 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.286 -4.161 -9.202 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.624 -3.877 -8.724 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.109 -6.299 -12.337 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.695 -4.643 -12.050 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.002 -5.917 -10.846 1.00 0.00 H new ATOM 1211 N GLY A 77 1.337 -3.110 -9.497 1.00 0.00 N ATOM 1212 CA GLY A 77 0.073 -3.749 -9.818 1.00 0.00 C ATOM 1213 C GLY A 77 -1.086 -2.773 -9.780 1.00 0.00 C ATOM 1214 O GLY A 77 -2.033 -2.909 -10.552 1.00 0.00 O ATOM 0 H GLY A 77 1.777 -3.449 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.136 -4.198 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.113 -4.559 -9.113 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.993 -1.760 -8.907 1.00 0.00 N ATOM 1219 CA ARG A 78 -2.021 -0.736 -8.812 1.00 0.00 C ATOM 1220 C ARG A 78 -1.910 0.167 -10.025 1.00 0.00 C ATOM 1221 O ARG A 78 -2.915 0.509 -10.643 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.865 0.090 -7.537 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.166 -0.681 -6.257 1.00 0.00 C ATOM 1224 CD ARG A 78 -3.386 -0.126 -5.536 1.00 0.00 C ATOM 1225 NE ARG A 78 -3.551 -0.711 -4.203 1.00 0.00 N ATOM 1226 CZ ARG A 78 -2.810 -0.389 -3.138 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -1.844 0.523 -3.232 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -3.037 -0.981 -1.972 1.00 0.00 N ATOM 0 H ARG A 78 -0.214 -1.635 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.999 -1.215 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.846 0.473 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.527 0.954 -7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.332 -1.731 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.301 -0.637 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.293 0.956 -5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.278 -0.322 -6.131 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.281 -1.412 -4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.663 0.984 -4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.285 0.760 -2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.775 -1.680 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.473 -0.737 -1.158 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.666 0.522 -10.388 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.442 1.345 -11.566 1.00 0.00 C ATOM 1244 C LEU A 79 -1.014 0.604 -12.762 1.00 0.00 C ATOM 1245 O LEU A 79 -1.873 1.118 -13.472 1.00 0.00 O ATOM 1246 CB LEU A 79 1.053 1.636 -11.771 1.00 0.00 C ATOM 1247 CG LEU A 79 1.471 1.980 -13.215 1.00 0.00 C ATOM 1248 CD1 LEU A 79 0.517 2.991 -13.847 1.00 0.00 C ATOM 1249 CD2 LEU A 79 2.901 2.499 -13.255 1.00 0.00 C ATOM 0 H LEU A 79 0.180 0.253 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.935 2.309 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.336 2.465 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.623 0.766 -11.444 1.00 0.00 H new ATOM 0 HG LEU A 79 1.419 1.061 -13.799 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.841 3.211 -14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.491 2.576 -13.869 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.518 3.909 -13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.174 2.735 -14.284 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.979 3.398 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.576 1.736 -12.867 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.535 -0.626 -12.958 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.999 -1.479 -14.047 1.00 0.00 C ATOM 1263 C ASP A 80 -2.526 -1.545 -14.047 1.00 0.00 C ATOM 1264 O ASP A 80 -3.152 -1.690 -15.098 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.401 -2.886 -13.902 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.776 -3.809 -15.047 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -1.752 -4.573 -14.901 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -0.091 -3.766 -16.092 1.00 0.00 O ATOM 0 H ASP A 80 0.180 -1.054 -12.370 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.670 -1.056 -14.996 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.685 -2.809 -13.845 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.740 -3.324 -12.963 1.00 0.00 H new ATOM 1273 N LEU A 81 -3.118 -1.396 -12.857 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.552 -1.390 -12.694 1.00 0.00 C ATOM 1275 C LEU A 81 -5.105 -0.016 -13.068 1.00 0.00 C ATOM 1276 O LEU A 81 -6.139 0.100 -13.720 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.871 -1.694 -11.235 1.00 0.00 C ATOM 1278 CG LEU A 81 -6.127 -2.491 -10.988 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -6.378 -2.581 -9.495 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -7.309 -1.860 -11.709 1.00 0.00 C ATOM 0 H LEU A 81 -2.603 -1.277 -11.985 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.007 -2.140 -13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.029 -2.236 -10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.951 -0.750 -10.696 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.002 -3.499 -11.383 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.285 -3.157 -9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.533 -3.073 -9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.496 -1.578 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.207 -2.448 -11.520 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.457 -0.844 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.111 -1.835 -12.781 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.383 1.017 -12.630 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.759 2.405 -12.891 1.00 0.00 C ATOM 1294 C ILE A 82 -4.663 2.707 -14.390 1.00 0.00 C ATOM 1295 O ILE A 82 -5.630 3.160 -15.005 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.870 3.384 -12.079 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -4.200 3.277 -10.583 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -4.043 4.822 -12.557 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -3.016 3.531 -9.675 1.00 0.00 C ATOM 0 H ILE A 82 -3.526 0.915 -12.087 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.791 2.546 -12.571 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.829 3.104 -12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.989 3.990 -10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.596 2.282 -10.378 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.406 5.481 -11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.763 4.892 -13.608 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.084 5.122 -12.438 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.328 3.438 -8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.233 2.802 -9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.633 4.536 -9.850 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.491 2.443 -14.967 1.00 0.00 N ATOM 1312 CA ARG A 83 -3.248 2.667 -16.395 1.00 0.00 C ATOM 1313 C ARG A 83 -4.245 1.893 -17.268 1.00 0.00 C ATOM 1314 O ARG A 83 -4.624 2.358 -18.344 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.808 2.266 -16.745 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.483 0.802 -16.481 1.00 0.00 C ATOM 1317 CD ARG A 83 -1.404 0.005 -17.765 1.00 0.00 C ATOM 1318 NE ARG A 83 -0.180 -0.795 -17.853 1.00 0.00 N ATOM 1319 CZ ARG A 83 0.122 -1.590 -18.885 1.00 0.00 C ATOM 1320 NH1 ARG A 83 -0.703 -1.697 -19.922 1.00 0.00 N ATOM 1321 NH2 ARG A 83 1.258 -2.280 -18.877 1.00 0.00 N ATOM 0 H ARG A 83 -2.687 2.070 -14.463 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.390 3.728 -16.600 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.629 2.481 -17.798 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.121 2.888 -16.171 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.534 0.730 -15.949 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.245 0.371 -15.832 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.270 -0.653 -17.835 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.452 0.686 -18.615 1.00 0.00 H new ATOM 0 HE ARG A 83 0.483 -0.742 -17.079 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.576 -1.170 -19.936 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.463 -2.306 -20.704 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.896 -2.202 -18.085 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.491 -2.887 -19.663 1.00 0.00 H new ATOM 1335 N SER A 84 -4.658 0.710 -16.802 1.00 0.00 N ATOM 1336 CA SER A 84 -5.600 -0.129 -17.543 1.00 0.00 C ATOM 1337 C SER A 84 -7.061 0.198 -17.199 1.00 0.00 C ATOM 1338 O SER A 84 -7.934 0.120 -18.065 1.00 0.00 O ATOM 1339 CB SER A 84 -5.322 -1.610 -17.265 1.00 0.00 C ATOM 1340 OG SER A 84 -6.077 -2.443 -18.128 1.00 0.00 O ATOM 0 H SER A 84 -4.353 0.313 -15.913 1.00 0.00 H new ATOM 0 HA SER A 84 -5.454 0.080 -18.603 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.259 -1.814 -17.396 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.566 -1.840 -16.228 1.00 0.00 H new ATOM 0 HG SER A 84 -5.880 -3.383 -17.931 1.00 0.00 H new ATOM 1346 N GLY A 85 -7.324 0.555 -15.938 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.682 0.874 -15.518 1.00 0.00 C ATOM 1348 C GLY A 85 -8.735 1.721 -14.255 1.00 0.00 C ATOM 1349 O GLY A 85 -7.723 2.278 -13.832 1.00 0.00 O ATOM 0 H GLY A 85 -6.621 0.628 -15.203 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.190 1.403 -16.324 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.231 -0.053 -15.350 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.928 1.830 -13.662 1.00 0.00 N ATOM 1354 CA GLN A 86 -10.127 2.626 -12.453 1.00 0.00 C ATOM 1355 C GLN A 86 -10.270 1.762 -11.192 1.00 0.00 C ATOM 1356 O GLN A 86 -9.991 2.230 -10.087 1.00 0.00 O ATOM 1357 CB GLN A 86 -11.364 3.515 -12.616 1.00 0.00 C ATOM 1358 CG GLN A 86 -12.666 2.743 -12.812 1.00 0.00 C ATOM 1359 CD GLN A 86 -13.795 3.262 -11.939 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -14.584 4.107 -12.364 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -13.880 2.760 -10.711 1.00 0.00 N ATOM 0 H GLN A 86 -10.773 1.373 -14.004 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.236 3.240 -12.322 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.460 4.150 -11.735 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.214 4.175 -13.470 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.965 2.803 -13.858 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.496 1.690 -12.589 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.206 2.061 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.619 3.073 -10.082 1.00 0.00 H new ATOM 1370 N SER A 87 -10.721 0.513 -11.358 1.00 0.00 N ATOM 1371 CA SER A 87 -10.917 -0.403 -10.227 1.00 0.00 C ATOM 1372 C SER A 87 -9.684 -0.461 -9.320 1.00 0.00 C ATOM 1373 O SER A 87 -8.563 -0.226 -9.769 1.00 0.00 O ATOM 1374 CB SER A 87 -11.257 -1.808 -10.735 1.00 0.00 C ATOM 1375 OG SER A 87 -11.651 -2.658 -9.671 1.00 0.00 O ATOM 0 H SER A 87 -10.958 0.113 -12.266 1.00 0.00 H new ATOM 0 HA SER A 87 -11.748 -0.019 -9.636 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.059 -1.747 -11.471 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.391 -2.233 -11.242 1.00 0.00 H new ATOM 0 HG SER A 87 -11.864 -3.547 -10.024 1.00 0.00 H new ATOM 1381 N VAL A 88 -9.904 -0.779 -8.040 1.00 0.00 N ATOM 1382 CA VAL A 88 -8.816 -0.872 -7.067 1.00 0.00 C ATOM 1383 C VAL A 88 -9.180 -1.800 -5.906 1.00 0.00 C ATOM 1384 O VAL A 88 -10.281 -1.732 -5.358 1.00 0.00 O ATOM 1385 CB VAL A 88 -8.413 0.513 -6.499 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -7.434 1.221 -7.431 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -9.640 1.377 -6.245 1.00 0.00 C ATOM 0 H VAL A 88 -10.828 -0.976 -7.655 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.965 -1.285 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.913 0.350 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.167 2.190 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.535 0.614 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.899 1.365 -8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.329 2.343 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.179 1.527 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.292 0.881 -5.526 1.00 0.00 H new