USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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 Single : A 15 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 89:sc= 1.24 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.9!) USER MOD Single : A 27 HIS :FLIP no HE2:sc= -0.16 F(o=-2.1!,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 169:sc= 1.06 USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.561) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 49 TYR OH : rot -90:sc= -0.377 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.238) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.34) USER MOD Single : A 66 LYS NZ :NH3+ -103:sc= 2.01 (180deg=-0.026!) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -2.93! (180deg=-4.15!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -79:sc= 0.913 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.017) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.122 K(o=-0.12,f=-5.5!) USER MOD Single : A 113 ASN : amide:sc= 0.00343 X(o=0.0034,f=0) USER MOD Single : A 114 TYR OH : rot -30:sc= 2.17 USER MOD Single : B 396 LYS NZ :NH3+ 170:sc= 0.581 (180deg=0.239) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -7.409 13.166 -7.764 1.00 0.00 N ATOM 140 CA PHE A 14 -6.834 11.859 -7.494 1.00 0.00 C ATOM 141 C PHE A 14 -7.073 11.491 -6.034 1.00 0.00 C ATOM 142 O PHE A 14 -6.130 11.314 -5.265 1.00 0.00 O ATOM 143 CB PHE A 14 -5.333 11.855 -7.795 1.00 0.00 C ATOM 144 CG PHE A 14 -4.996 12.195 -9.220 1.00 0.00 C ATOM 145 CD1 PHE A 14 -5.545 11.475 -10.268 1.00 0.00 C ATOM 146 CD2 PHE A 14 -4.125 13.233 -9.507 1.00 0.00 C ATOM 147 CE1 PHE A 14 -5.235 11.788 -11.577 1.00 0.00 C ATOM 148 CE2 PHE A 14 -3.811 13.550 -10.814 1.00 0.00 C ATOM 149 CZ PHE A 14 -4.366 12.826 -11.849 1.00 0.00 C ATOM 0 HA PHE A 14 -7.314 11.124 -8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.838 12.568 -7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.928 10.870 -7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.223 10.660 -10.059 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.687 13.801 -8.700 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.672 11.222 -12.386 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.132 14.363 -11.025 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.121 13.071 -12.872 1.00 0.00 H new ATOM 159 N SER A 15 -8.342 11.397 -5.665 1.00 0.00 N ATOM 160 CA SER A 15 -8.745 11.073 -4.302 1.00 0.00 C ATOM 161 C SER A 15 -8.111 9.771 -3.810 1.00 0.00 C ATOM 162 O SER A 15 -7.535 9.727 -2.721 1.00 0.00 O ATOM 163 CB SER A 15 -10.266 10.981 -4.242 1.00 0.00 C ATOM 164 OG SER A 15 -10.856 12.015 -5.015 1.00 0.00 O ATOM 0 H SER A 15 -9.124 11.543 -6.303 1.00 0.00 H new ATOM 0 HA SER A 15 -8.393 11.866 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.593 10.010 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.601 11.056 -3.207 1.00 0.00 H new ATOM 0 HG SER A 15 -11.832 11.942 -4.968 1.00 0.00 H new ATOM 170 N GLU A 16 -8.195 8.723 -4.622 1.00 0.00 N ATOM 171 CA GLU A 16 -7.635 7.429 -4.254 1.00 0.00 C ATOM 172 C GLU A 16 -6.120 7.510 -4.160 1.00 0.00 C ATOM 173 O GLU A 16 -5.518 6.991 -3.220 1.00 0.00 O ATOM 174 CB GLU A 16 -8.044 6.357 -5.266 1.00 0.00 C ATOM 175 CG GLU A 16 -9.525 6.032 -5.233 1.00 0.00 C ATOM 176 CD GLU A 16 -9.953 5.384 -3.930 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.918 6.054 -2.878 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.333 4.199 -3.947 1.00 0.00 O ATOM 0 H GLU A 16 -8.645 8.744 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.031 7.153 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.775 6.692 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.475 5.448 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.097 6.947 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.765 5.366 -6.062 1.00 0.00 H new ATOM 185 N TYR A 17 -5.512 8.184 -5.126 1.00 0.00 N ATOM 186 CA TYR A 17 -4.063 8.344 -5.156 1.00 0.00 C ATOM 187 C TYR A 17 -3.577 9.090 -3.918 1.00 0.00 C ATOM 188 O TYR A 17 -2.563 8.727 -3.323 1.00 0.00 O ATOM 189 CB TYR A 17 -3.632 9.082 -6.426 1.00 0.00 C ATOM 190 CG TYR A 17 -3.745 8.240 -7.680 1.00 0.00 C ATOM 191 CD1 TYR A 17 -4.987 7.907 -8.212 1.00 0.00 C ATOM 192 CD2 TYR A 17 -2.610 7.770 -8.325 1.00 0.00 C ATOM 193 CE1 TYR A 17 -5.091 7.132 -9.352 1.00 0.00 C ATOM 194 CE2 TYR A 17 -2.708 6.995 -9.463 1.00 0.00 C ATOM 195 CZ TYR A 17 -3.950 6.680 -9.973 1.00 0.00 C ATOM 196 OH TYR A 17 -4.047 5.900 -11.104 1.00 0.00 O ATOM 0 H TYR A 17 -6.001 8.631 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.610 7.353 -5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.243 9.977 -6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.600 9.414 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.885 8.260 -7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.635 8.014 -7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.062 6.883 -9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.815 6.636 -9.953 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.149 5.666 -11.418 1.00 0.00 H new ATOM 206 N SER A 18 -4.318 10.119 -3.522 1.00 0.00 N ATOM 207 CA SER A 18 -3.971 10.908 -2.349 1.00 0.00 C ATOM 208 C SER A 18 -4.092 10.059 -1.088 1.00 0.00 C ATOM 209 O SER A 18 -3.257 10.149 -0.189 1.00 0.00 O ATOM 210 CB SER A 18 -4.877 12.137 -2.248 1.00 0.00 C ATOM 211 OG SER A 18 -4.922 12.839 -3.483 1.00 0.00 O ATOM 0 H SER A 18 -5.166 10.426 -3.999 1.00 0.00 H new ATOM 0 HA SER A 18 -2.939 11.243 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.883 11.829 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.512 12.799 -1.462 1.00 0.00 H new ATOM 0 HG SER A 18 -5.640 12.474 -4.041 1.00 0.00 H new ATOM 217 N ARG A 19 -5.122 9.218 -1.044 1.00 0.00 N ATOM 218 CA ARG A 19 -5.355 8.344 0.103 1.00 0.00 C ATOM 219 C ARG A 19 -4.185 7.384 0.299 1.00 0.00 C ATOM 220 O ARG A 19 -3.736 7.160 1.423 1.00 0.00 O ATOM 221 CB ARG A 19 -6.654 7.557 -0.083 1.00 0.00 C ATOM 222 CG ARG A 19 -7.905 8.390 0.137 1.00 0.00 C ATOM 223 CD ARG A 19 -9.156 7.660 -0.323 1.00 0.00 C ATOM 224 NE ARG A 19 -10.373 8.350 0.097 1.00 0.00 N ATOM 225 CZ ARG A 19 -11.533 8.298 -0.563 1.00 0.00 C ATOM 226 NH1 ARG A 19 -11.637 7.599 -1.686 1.00 0.00 N ATOM 227 NH2 ARG A 19 -12.590 8.946 -0.091 1.00 0.00 N ATOM 0 H ARG A 19 -5.810 9.123 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.443 8.967 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.676 7.142 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.662 6.715 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.996 8.637 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.814 9.332 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.146 7.570 -1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.155 6.647 0.080 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.334 8.908 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.828 7.097 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.526 7.564 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.515 9.482 0.774 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.477 8.908 -0.593 1.00 0.00 H new ATOM 241 N ILE A 20 -3.698 6.821 -0.796 1.00 0.00 N ATOM 242 CA ILE A 20 -2.578 5.893 -0.738 1.00 0.00 C ATOM 243 C ILE A 20 -1.278 6.646 -0.446 1.00 0.00 C ATOM 244 O ILE A 20 -0.508 6.263 0.434 1.00 0.00 O ATOM 245 CB ILE A 20 -2.439 5.089 -2.056 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.329 3.847 -2.024 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.994 4.679 -2.309 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.778 4.111 -2.365 1.00 0.00 C ATOM 0 H ILE A 20 -4.060 6.990 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.774 5.188 0.070 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.758 5.739 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.932 3.111 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.277 3.403 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.933 4.117 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.370 5.570 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.643 4.056 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.339 3.177 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.196 4.821 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.845 4.525 -3.371 1.00 0.00 H new ATOM 260 N SER A 21 -1.056 7.725 -1.185 1.00 0.00 N ATOM 261 CA SER A 21 0.142 8.544 -1.030 1.00 0.00 C ATOM 262 C SER A 21 0.285 9.072 0.398 1.00 0.00 C ATOM 263 O SER A 21 1.379 9.046 0.965 1.00 0.00 O ATOM 264 CB SER A 21 0.116 9.718 -2.016 1.00 0.00 C ATOM 265 OG SER A 21 1.208 10.598 -1.800 1.00 0.00 O ATOM 0 H SER A 21 -1.697 8.057 -1.906 1.00 0.00 H new ATOM 0 HA SER A 21 1.002 7.909 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.149 9.339 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.821 10.265 -1.909 1.00 0.00 H new ATOM 0 HG SER A 21 1.166 11.336 -2.444 1.00 0.00 H new ATOM 271 N ASN A 22 -0.818 9.539 0.977 1.00 0.00 N ATOM 272 CA ASN A 22 -0.793 10.089 2.329 1.00 0.00 C ATOM 273 C ASN A 22 -0.393 9.034 3.350 1.00 0.00 C ATOM 274 O ASN A 22 0.256 9.351 4.343 1.00 0.00 O ATOM 275 CB ASN A 22 -2.143 10.699 2.703 1.00 0.00 C ATOM 276 CG ASN A 22 -1.991 11.920 3.594 1.00 0.00 C ATOM 277 OD1 ASN A 22 -0.981 12.624 3.530 1.00 0.00 O ATOM 278 ND2 ASN A 22 -2.985 12.178 4.428 1.00 0.00 N ATOM 0 H ASN A 22 -1.736 9.548 0.533 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.042 10.879 2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.678 10.977 1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.749 9.951 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.933 12.985 5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.804 11.570 4.449 1.00 0.00 H new ATOM 285 N LEU A 23 -0.768 7.783 3.096 1.00 0.00 N ATOM 286 CA LEU A 23 -0.429 6.684 3.998 1.00 0.00 C ATOM 287 C LEU A 23 1.084 6.586 4.170 1.00 0.00 C ATOM 288 O LEU A 23 1.585 6.381 5.273 1.00 0.00 O ATOM 289 CB LEU A 23 -0.985 5.355 3.461 1.00 0.00 C ATOM 290 CG LEU A 23 -0.155 4.107 3.796 1.00 0.00 C ATOM 291 CD1 LEU A 23 -1.051 2.933 4.122 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.771 3.749 2.643 1.00 0.00 C ATOM 0 H LEU A 23 -1.306 7.505 2.275 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.882 6.885 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.992 5.217 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.075 5.430 2.377 1.00 0.00 H new ATOM 0 HG LEU A 23 0.450 4.336 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.439 2.062 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.675 3.179 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.686 2.711 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.349 2.862 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.179 3.548 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.449 4.580 2.449 1.00 0.00 H new ATOM 304 N ILE A 24 1.801 6.755 3.066 1.00 0.00 N ATOM 305 CA ILE A 24 3.254 6.669 3.069 1.00 0.00 C ATOM 306 C ILE A 24 3.862 7.798 3.886 1.00 0.00 C ATOM 307 O ILE A 24 4.716 7.564 4.744 1.00 0.00 O ATOM 308 CB ILE A 24 3.819 6.685 1.625 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.814 5.268 1.052 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.228 7.273 1.575 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.655 4.297 1.849 1.00 0.00 C ATOM 0 H ILE A 24 1.395 6.954 2.152 1.00 0.00 H new ATOM 0 HA ILE A 24 3.527 5.721 3.531 1.00 0.00 H new ATOM 0 HB ILE A 24 3.177 7.324 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.788 4.903 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.180 5.297 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.589 7.267 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.208 8.298 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.894 6.675 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.607 3.311 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.689 4.640 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.276 4.239 2.869 1.00 0.00 H new ATOM 323 N VAL A 25 3.393 9.009 3.637 1.00 0.00 N ATOM 324 CA VAL A 25 3.899 10.176 4.335 1.00 0.00 C ATOM 325 C VAL A 25 3.577 10.097 5.825 1.00 0.00 C ATOM 326 O VAL A 25 4.461 10.255 6.662 1.00 0.00 O ATOM 327 CB VAL A 25 3.322 11.483 3.750 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.116 12.683 4.236 1.00 0.00 C ATOM 329 CG2 VAL A 25 3.310 11.437 2.228 1.00 0.00 C ATOM 0 H VAL A 25 2.661 9.209 2.955 1.00 0.00 H new ATOM 0 HA VAL A 25 4.981 10.187 4.200 1.00 0.00 H new ATOM 0 HB VAL A 25 2.294 11.583 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.694 13.594 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.070 12.733 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.155 12.584 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.899 12.369 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.328 11.307 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.694 10.602 1.894 1.00 0.00 H new ATOM 339 N LEU A 26 2.320 9.819 6.145 1.00 0.00 N ATOM 340 CA LEU A 26 1.880 9.725 7.535 1.00 0.00 C ATOM 341 C LEU A 26 2.625 8.629 8.287 1.00 0.00 C ATOM 342 O LEU A 26 3.143 8.862 9.379 1.00 0.00 O ATOM 343 CB LEU A 26 0.378 9.463 7.600 1.00 0.00 C ATOM 344 CG LEU A 26 -0.501 10.689 7.375 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.894 10.261 6.951 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.560 11.544 8.632 1.00 0.00 C ATOM 0 H LEU A 26 1.583 9.654 5.460 1.00 0.00 H new ATOM 0 HA LEU A 26 2.104 10.678 8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.123 8.710 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.140 9.038 8.575 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.064 11.290 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.514 11.144 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.833 9.690 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.337 9.641 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.192 12.414 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.975 10.958 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.445 11.874 8.895 1.00 0.00 H new ATOM 358 N HIS A 27 2.686 7.442 7.694 1.00 0.00 N ATOM 359 CA HIS A 27 3.364 6.311 8.316 1.00 0.00 C ATOM 360 C HIS A 27 4.821 6.649 8.606 1.00 0.00 C ATOM 361 O HIS A 27 5.311 6.397 9.699 1.00 0.00 O ATOM 362 CB HIS A 27 3.282 5.065 7.427 1.00 0.00 C ATOM 363 CG HIS A 27 3.890 3.842 8.043 1.00 0.00 C ATOM 364 ND1 HIS A 27 3.388 2.953 8.930 1.00 0.00 N flip ATOM 365 CD2 HIS A 27 5.171 3.415 7.757 1.00 0.00 C flip ATOM 366 CE1 HIS A 27 4.367 2.017 9.158 1.00 0.00 C flip ATOM 367 NE2 HIS A 27 5.428 2.317 8.441 1.00 0.00 N flip ATOM 0 H HIS A 27 2.274 7.238 6.783 1.00 0.00 H new ATOM 0 HA HIS A 27 2.859 6.098 9.258 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.236 4.863 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.783 5.271 6.481 1.00 0.00 H new ATOM 0 HD1 HIS A 27 2.459 2.974 9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.856 3.903 7.079 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.279 1.169 9.821 1.00 0.00 H new ATOM 376 N LEU A 28 5.505 7.227 7.626 1.00 0.00 N ATOM 377 CA LEU A 28 6.905 7.588 7.799 1.00 0.00 C ATOM 378 C LEU A 28 7.053 8.681 8.851 1.00 0.00 C ATOM 379 O LEU A 28 7.984 8.647 9.650 1.00 0.00 O ATOM 380 CB LEU A 28 7.519 8.033 6.467 1.00 0.00 C ATOM 381 CG LEU A 28 9.020 7.748 6.298 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.859 8.853 6.925 1.00 0.00 C ATOM 383 CD2 LEU A 28 9.385 6.396 6.898 1.00 0.00 C ATOM 0 H LEU A 28 5.116 7.454 6.711 1.00 0.00 H new ATOM 0 HA LEU A 28 7.444 6.706 8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.981 7.541 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.356 9.105 6.353 1.00 0.00 H new ATOM 0 HG LEU A 28 9.237 7.720 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.917 8.627 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.627 9.803 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.634 8.921 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.452 6.216 6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.145 6.393 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.820 5.611 6.396 1.00 0.00 H new ATOM 395 N ARG A 29 6.123 9.634 8.860 1.00 0.00 N ATOM 396 CA ARG A 29 6.155 10.731 9.826 1.00 0.00 C ATOM 397 C ARG A 29 6.078 10.196 11.249 1.00 0.00 C ATOM 398 O ARG A 29 6.838 10.614 12.122 1.00 0.00 O ATOM 399 CB ARG A 29 5.004 11.705 9.569 1.00 0.00 C ATOM 400 CG ARG A 29 5.265 12.639 8.403 1.00 0.00 C ATOM 401 CD ARG A 29 4.065 13.517 8.099 1.00 0.00 C ATOM 402 NE ARG A 29 4.369 14.512 7.073 1.00 0.00 N ATOM 403 CZ ARG A 29 3.484 15.381 6.589 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.249 15.421 7.084 1.00 0.00 N ATOM 405 NH2 ARG A 29 3.841 16.220 5.625 1.00 0.00 N ATOM 0 H ARG A 29 5.338 9.669 8.210 1.00 0.00 H new ATOM 0 HA ARG A 29 7.099 11.263 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.093 11.139 9.376 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.828 12.296 10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.127 13.268 8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.519 12.054 7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.234 12.895 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.743 14.021 9.010 1.00 0.00 H new ATOM 0 HE ARG A 29 5.319 14.543 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.980 14.785 7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.572 16.087 6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.792 16.198 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.165 16.887 5.253 1.00 0.00 H new ATOM 419 N LYS A 30 5.164 9.266 11.477 1.00 0.00 N ATOM 420 CA LYS A 30 5.006 8.667 12.795 1.00 0.00 C ATOM 421 C LYS A 30 6.233 7.833 13.141 1.00 0.00 C ATOM 422 O LYS A 30 6.740 7.874 14.263 1.00 0.00 O ATOM 423 CB LYS A 30 3.749 7.794 12.839 1.00 0.00 C ATOM 424 CG LYS A 30 2.479 8.538 12.467 1.00 0.00 C ATOM 425 CD LYS A 30 1.266 7.625 12.502 1.00 0.00 C ATOM 426 CE LYS A 30 -0.001 8.378 12.131 1.00 0.00 C ATOM 427 NZ LYS A 30 -1.224 7.580 12.406 1.00 0.00 N ATOM 0 H LYS A 30 4.521 8.910 10.769 1.00 0.00 H new ATOM 0 HA LYS A 30 4.901 9.466 13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.878 6.951 12.160 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.638 7.382 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.329 9.370 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.585 8.965 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.413 6.794 11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.159 7.197 13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.044 9.312 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.030 8.641 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.065 8.130 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.196 6.700 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.268 7.350 13.419 1.00 0.00 H new ATOM 441 N VAL A 31 6.716 7.091 12.155 1.00 0.00 N ATOM 442 CA VAL A 31 7.878 6.236 12.329 1.00 0.00 C ATOM 443 C VAL A 31 9.129 7.052 12.651 1.00 0.00 C ATOM 444 O VAL A 31 9.798 6.784 13.646 1.00 0.00 O ATOM 445 CB VAL A 31 8.124 5.364 11.074 1.00 0.00 C ATOM 446 CG1 VAL A 31 9.535 4.797 11.060 1.00 0.00 C ATOM 447 CG2 VAL A 31 7.104 4.238 11.003 1.00 0.00 C ATOM 0 H VAL A 31 6.315 7.065 11.217 1.00 0.00 H new ATOM 0 HA VAL A 31 7.669 5.580 13.174 1.00 0.00 H new ATOM 0 HB VAL A 31 8.010 6.002 10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.674 4.190 10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.256 5.615 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.688 4.180 11.945 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.290 3.634 10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.190 3.613 11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.100 4.659 10.951 1.00 0.00 H new ATOM 457 N GLU A 32 9.417 8.066 11.834 1.00 0.00 N ATOM 458 CA GLU A 32 10.601 8.902 12.025 1.00 0.00 C ATOM 459 C GLU A 32 10.562 9.623 13.369 1.00 0.00 C ATOM 460 O GLU A 32 11.600 9.864 13.985 1.00 0.00 O ATOM 461 CB GLU A 32 10.750 9.916 10.881 1.00 0.00 C ATOM 462 CG GLU A 32 9.761 11.071 10.938 1.00 0.00 C ATOM 463 CD GLU A 32 9.996 12.102 9.857 1.00 0.00 C ATOM 464 OE1 GLU A 32 11.139 12.594 9.730 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.040 12.442 9.134 1.00 0.00 O ATOM 0 H GLU A 32 8.844 8.328 11.032 1.00 0.00 H new ATOM 0 HA GLU A 32 11.469 8.243 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.763 10.319 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.629 9.395 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.748 10.680 10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.829 11.553 11.913 1.00 0.00 H new ATOM 472 N GLU A 33 9.366 9.948 13.829 1.00 0.00 N ATOM 473 CA GLU A 33 9.206 10.637 15.093 1.00 0.00 C ATOM 474 C GLU A 33 9.436 9.691 16.269 1.00 0.00 C ATOM 475 O GLU A 33 10.049 10.065 17.270 1.00 0.00 O ATOM 476 CB GLU A 33 7.809 11.254 15.185 1.00 0.00 C ATOM 477 CG GLU A 33 7.680 12.308 16.270 1.00 0.00 C ATOM 478 CD GLU A 33 8.541 13.522 16.000 1.00 0.00 C ATOM 479 OE1 GLU A 33 8.106 14.398 15.226 1.00 0.00 O ATOM 480 OE2 GLU A 33 9.655 13.605 16.562 1.00 0.00 O ATOM 0 H GLU A 33 8.492 9.745 13.344 1.00 0.00 H new ATOM 0 HA GLU A 33 9.953 11.430 15.141 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.554 11.701 14.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.083 10.463 15.371 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.638 12.616 16.351 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.960 11.874 17.230 1.00 0.00 H new ATOM 487 N GLU A 34 8.967 8.460 16.131 1.00 0.00 N ATOM 488 CA GLU A 34 9.087 7.477 17.198 1.00 0.00 C ATOM 489 C GLU A 34 10.420 6.726 17.182 1.00 0.00 C ATOM 490 O GLU A 34 11.206 6.840 18.119 1.00 0.00 O ATOM 491 CB GLU A 34 7.930 6.477 17.124 1.00 0.00 C ATOM 492 CG GLU A 34 6.570 7.088 17.433 1.00 0.00 C ATOM 493 CD GLU A 34 6.550 7.814 18.763 1.00 0.00 C ATOM 494 OE1 GLU A 34 6.470 7.141 19.810 1.00 0.00 O ATOM 495 OE2 GLU A 34 6.616 9.063 18.767 1.00 0.00 O ATOM 0 H GLU A 34 8.500 8.118 15.291 1.00 0.00 H new ATOM 0 HA GLU A 34 9.048 8.032 18.135 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.903 6.040 16.126 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.120 5.663 17.824 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.299 7.783 16.639 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.815 6.302 17.440 1.00 0.00 H new ATOM 502 N GLU A 35 10.680 5.966 16.123 1.00 0.00 N ATOM 503 CA GLU A 35 11.902 5.165 16.047 1.00 0.00 C ATOM 504 C GLU A 35 12.826 5.611 14.914 1.00 0.00 C ATOM 505 O GLU A 35 13.891 5.022 14.712 1.00 0.00 O ATOM 506 CB GLU A 35 11.536 3.692 15.867 1.00 0.00 C ATOM 507 CG GLU A 35 10.452 3.216 16.821 1.00 0.00 C ATOM 508 CD GLU A 35 10.147 1.744 16.673 1.00 0.00 C ATOM 509 OE1 GLU A 35 9.410 1.374 15.735 1.00 0.00 O ATOM 510 OE2 GLU A 35 10.654 0.945 17.486 1.00 0.00 O ATOM 0 H GLU A 35 10.068 5.886 15.311 1.00 0.00 H new ATOM 0 HA GLU A 35 12.446 5.309 16.981 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.203 3.531 14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.429 3.084 16.011 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.763 3.417 17.846 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.542 3.790 16.646 1.00 0.00 H new ATOM 517 N ASP A 36 12.401 6.634 14.178 1.00 0.00 N ATOM 518 CA ASP A 36 13.169 7.201 13.059 1.00 0.00 C ATOM 519 C ASP A 36 13.248 6.243 11.868 1.00 0.00 C ATOM 520 O ASP A 36 12.558 6.429 10.867 1.00 0.00 O ATOM 521 CB ASP A 36 14.576 7.612 13.503 1.00 0.00 C ATOM 522 CG ASP A 36 14.942 9.001 13.023 1.00 0.00 C ATOM 523 OD1 ASP A 36 15.281 9.156 11.832 1.00 0.00 O ATOM 524 OD2 ASP A 36 14.894 9.945 13.838 1.00 0.00 O ATOM 0 H ASP A 36 11.508 7.101 14.338 1.00 0.00 H new ATOM 0 HA ASP A 36 12.632 8.092 12.732 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.637 7.577 14.591 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.301 6.894 13.120 1.00 0.00 H new ATOM 529 N GLU A 37 14.076 5.215 11.980 1.00 0.00 N ATOM 530 CA GLU A 37 14.237 4.249 10.904 1.00 0.00 C ATOM 531 C GLU A 37 13.696 2.894 11.330 1.00 0.00 C ATOM 532 O GLU A 37 14.441 2.034 11.795 1.00 0.00 O ATOM 533 CB GLU A 37 15.707 4.123 10.497 1.00 0.00 C ATOM 534 CG GLU A 37 16.285 5.389 9.887 1.00 0.00 C ATOM 535 CD GLU A 37 17.614 5.145 9.205 1.00 0.00 C ATOM 536 OE1 GLU A 37 18.608 4.884 9.912 1.00 0.00 O ATOM 537 OE2 GLU A 37 17.666 5.202 7.959 1.00 0.00 O ATOM 0 H GLU A 37 14.646 5.028 12.805 1.00 0.00 H new ATOM 0 HA GLU A 37 13.672 4.603 10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.295 3.852 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.808 3.307 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.578 5.797 9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.412 6.140 10.667 1.00 0.00 H new ATOM 544 N SER A 38 12.394 2.712 11.182 1.00 0.00 N ATOM 545 CA SER A 38 11.755 1.461 11.561 1.00 0.00 C ATOM 546 C SER A 38 11.099 0.795 10.355 1.00 0.00 C ATOM 547 O SER A 38 10.103 0.078 10.495 1.00 0.00 O ATOM 548 CB SER A 38 10.722 1.717 12.653 1.00 0.00 C ATOM 549 OG SER A 38 10.769 0.705 13.646 1.00 0.00 O ATOM 0 H SER A 38 11.759 3.414 10.802 1.00 0.00 H new ATOM 0 HA SER A 38 12.519 0.785 11.944 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.905 2.689 13.111 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.725 1.754 12.214 1.00 0.00 H new ATOM 0 HG SER A 38 10.234 0.980 14.419 1.00 0.00 H new ATOM 555 N ALA A 39 11.672 1.034 9.175 1.00 0.00 N ATOM 556 CA ALA A 39 11.168 0.461 7.928 1.00 0.00 C ATOM 557 C ALA A 39 9.680 0.766 7.727 1.00 0.00 C ATOM 558 O ALA A 39 9.187 1.814 8.157 1.00 0.00 O ATOM 559 CB ALA A 39 11.422 -1.042 7.903 1.00 0.00 C ATOM 0 H ALA A 39 12.494 1.627 9.057 1.00 0.00 H new ATOM 0 HA ALA A 39 11.707 0.924 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.043 -1.460 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.493 -1.231 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.912 -1.511 8.744 1.00 0.00 H new ATOM 565 N LEU A 40 8.972 -0.143 7.062 1.00 0.00 N ATOM 566 CA LEU A 40 7.546 0.029 6.814 1.00 0.00 C ATOM 567 C LEU A 40 6.849 -1.313 6.590 1.00 0.00 C ATOM 568 O LEU A 40 5.719 -1.503 7.041 1.00 0.00 O ATOM 569 CB LEU A 40 7.305 0.966 5.617 1.00 0.00 C ATOM 570 CG LEU A 40 8.336 0.894 4.485 1.00 0.00 C ATOM 571 CD1 LEU A 40 7.971 -0.184 3.475 1.00 0.00 C ATOM 572 CD2 LEU A 40 8.452 2.243 3.796 1.00 0.00 C ATOM 0 H LEU A 40 9.364 -1.006 6.686 1.00 0.00 H new ATOM 0 HA LEU A 40 7.114 0.486 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.322 0.744 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.271 1.991 5.985 1.00 0.00 H new ATOM 0 HG LEU A 40 9.300 0.633 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.721 -0.211 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.935 -1.153 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.995 0.038 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.187 2.180 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.484 2.524 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.768 2.995 4.519 1.00 0.00 H new ATOM 584 N LYS A 41 7.538 -2.232 5.906 1.00 0.00 N ATOM 585 CA LYS A 41 7.003 -3.562 5.599 1.00 0.00 C ATOM 586 C LYS A 41 5.808 -3.456 4.648 1.00 0.00 C ATOM 587 O LYS A 41 4.707 -3.116 5.063 1.00 0.00 O ATOM 588 CB LYS A 41 6.602 -4.317 6.875 1.00 0.00 C ATOM 589 CG LYS A 41 7.781 -4.787 7.714 1.00 0.00 C ATOM 590 CD LYS A 41 7.344 -5.798 8.764 1.00 0.00 C ATOM 591 CE LYS A 41 7.722 -5.351 10.168 1.00 0.00 C ATOM 592 NZ LYS A 41 6.976 -4.133 10.582 1.00 0.00 N ATOM 0 H LYS A 41 8.481 -2.075 5.550 1.00 0.00 H new ATOM 0 HA LYS A 41 7.794 -4.129 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.971 -3.670 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.999 -5.182 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.535 -5.235 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.247 -3.931 8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.265 -5.940 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.804 -6.763 8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.520 -6.158 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.793 -5.152 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.431 -3.715 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.980 -3.442 9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.995 -4.389 10.813 1.00 0.00 H new ATOM 606 N ARG A 42 6.035 -3.765 3.373 1.00 0.00 N ATOM 607 CA ARG A 42 4.988 -3.678 2.350 1.00 0.00 C ATOM 608 C ARG A 42 3.724 -4.458 2.727 1.00 0.00 C ATOM 609 O ARG A 42 2.627 -3.903 2.717 1.00 0.00 O ATOM 610 CB ARG A 42 5.505 -4.160 0.987 1.00 0.00 C ATOM 611 CG ARG A 42 6.129 -5.547 0.999 1.00 0.00 C ATOM 612 CD ARG A 42 6.226 -6.127 -0.405 1.00 0.00 C ATOM 613 NE ARG A 42 4.923 -6.548 -0.922 1.00 0.00 N ATOM 614 CZ ARG A 42 4.556 -7.822 -1.071 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.397 -8.807 -0.761 1.00 0.00 N ATOM 616 NH2 ARG A 42 3.352 -8.116 -1.543 1.00 0.00 N ATOM 0 H ARG A 42 6.939 -4.080 3.020 1.00 0.00 H new ATOM 0 HA ARG A 42 4.718 -2.624 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.678 -4.155 0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.244 -3.447 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.124 -5.496 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.534 -6.210 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.657 -5.383 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.905 -6.980 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 42 4.255 -5.823 -1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.329 -8.590 -0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.109 -9.779 -0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.705 -7.368 -1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.073 -9.090 -1.656 1.00 0.00 H new ATOM 630 N SER A 43 3.883 -5.732 3.073 1.00 0.00 N ATOM 631 CA SER A 43 2.749 -6.578 3.429 1.00 0.00 C ATOM 632 C SER A 43 1.969 -6.003 4.610 1.00 0.00 C ATOM 633 O SER A 43 0.740 -6.062 4.638 1.00 0.00 O ATOM 634 CB SER A 43 3.243 -7.986 3.753 1.00 0.00 C ATOM 635 OG SER A 43 4.409 -8.293 3.006 1.00 0.00 O ATOM 0 H SER A 43 4.788 -6.202 3.114 1.00 0.00 H new ATOM 0 HA SER A 43 2.070 -6.617 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.457 -8.065 4.819 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.461 -8.711 3.530 1.00 0.00 H new ATOM 0 HG SER A 43 4.711 -9.198 3.229 1.00 0.00 H new ATOM 641 N GLU A 44 2.692 -5.431 5.565 1.00 0.00 N ATOM 642 CA GLU A 44 2.086 -4.836 6.749 1.00 0.00 C ATOM 643 C GLU A 44 1.441 -3.499 6.407 1.00 0.00 C ATOM 644 O GLU A 44 0.326 -3.214 6.843 1.00 0.00 O ATOM 645 CB GLU A 44 3.143 -4.646 7.835 1.00 0.00 C ATOM 646 CG GLU A 44 2.589 -4.121 9.147 1.00 0.00 C ATOM 647 CD GLU A 44 3.681 -3.793 10.139 1.00 0.00 C ATOM 648 OE1 GLU A 44 4.385 -4.724 10.582 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.850 -2.602 10.479 1.00 0.00 O ATOM 0 H GLU A 44 3.710 -5.367 5.541 1.00 0.00 H new ATOM 0 HA GLU A 44 1.311 -5.508 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.639 -5.600 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.904 -3.956 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.994 -3.228 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.919 -4.864 9.580 1.00 0.00 H new ATOM 656 N LEU A 45 2.153 -2.694 5.618 1.00 0.00 N ATOM 657 CA LEU A 45 1.671 -1.381 5.195 1.00 0.00 C ATOM 658 C LEU A 45 0.303 -1.500 4.554 1.00 0.00 C ATOM 659 O LEU A 45 -0.638 -0.803 4.930 1.00 0.00 O ATOM 660 CB LEU A 45 2.640 -0.758 4.188 1.00 0.00 C ATOM 661 CG LEU A 45 3.473 0.415 4.704 1.00 0.00 C ATOM 662 CD1 LEU A 45 4.370 0.949 3.601 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.573 1.519 5.236 1.00 0.00 C ATOM 0 H LEU A 45 3.076 -2.933 5.256 1.00 0.00 H new ATOM 0 HA LEU A 45 1.604 -0.745 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.319 -1.535 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.068 -0.421 3.323 1.00 0.00 H new ATOM 0 HG LEU A 45 4.099 0.059 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.958 1.784 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.040 0.159 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.757 1.288 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.185 2.345 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.921 1.874 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.966 1.131 6.054 1.00 0.00 H new ATOM 675 N VAL A 46 0.206 -2.397 3.587 1.00 0.00 N ATOM 676 CA VAL A 46 -1.042 -2.633 2.893 1.00 0.00 C ATOM 677 C VAL A 46 -2.061 -3.226 3.855 1.00 0.00 C ATOM 678 O VAL A 46 -3.218 -2.833 3.864 1.00 0.00 O ATOM 679 CB VAL A 46 -0.850 -3.594 1.698 1.00 0.00 C ATOM 680 CG1 VAL A 46 -2.128 -3.719 0.890 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.290 -3.129 0.809 1.00 0.00 C ATOM 0 H VAL A 46 0.983 -2.975 3.266 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.399 -1.676 2.511 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.599 -4.576 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.965 -4.401 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.924 -4.107 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.414 -2.739 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.406 -3.821 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.070 -2.133 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.214 -3.099 1.387 1.00 0.00 H new ATOM 691 N ASN A 47 -1.588 -4.138 4.694 1.00 0.00 N ATOM 692 CA ASN A 47 -2.428 -4.842 5.664 1.00 0.00 C ATOM 693 C ASN A 47 -3.260 -3.895 6.526 1.00 0.00 C ATOM 694 O ASN A 47 -4.492 -3.952 6.496 1.00 0.00 O ATOM 695 CB ASN A 47 -1.563 -5.724 6.569 1.00 0.00 C ATOM 696 CG ASN A 47 -2.377 -6.751 7.330 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.281 -7.374 6.774 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.069 -6.930 8.604 1.00 0.00 N ATOM 0 H ASN A 47 -0.607 -4.414 4.724 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.122 -5.455 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.814 -6.235 5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.025 -5.094 7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.589 -7.606 9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.312 -6.392 9.026 1.00 0.00 H new ATOM 705 N TRP A 48 -2.602 -3.020 7.285 1.00 0.00 N ATOM 706 CA TRP A 48 -3.328 -2.098 8.152 1.00 0.00 C ATOM 707 C TRP A 48 -4.106 -1.075 7.335 1.00 0.00 C ATOM 708 O TRP A 48 -5.148 -0.587 7.777 1.00 0.00 O ATOM 709 CB TRP A 48 -2.406 -1.420 9.183 1.00 0.00 C ATOM 710 CG TRP A 48 -1.407 -0.450 8.626 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.104 -0.707 8.321 1.00 0.00 C ATOM 712 CD2 TRP A 48 -1.616 0.942 8.350 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.509 0.431 7.859 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.401 1.458 7.863 1.00 0.00 C ATOM 715 CE3 TRP A 48 -2.718 1.798 8.454 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.256 2.791 7.486 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -2.572 3.120 8.083 1.00 0.00 C ATOM 718 CH2 TRP A 48 -1.351 3.604 7.602 1.00 0.00 C ATOM 0 H TRP A 48 -1.586 -2.931 7.317 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.048 -2.688 8.719 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.028 -0.896 9.909 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.867 -2.196 9.726 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.377 -1.668 8.427 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.482 0.502 7.561 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.666 1.431 8.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.686 3.169 7.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.414 3.791 8.166 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.270 4.642 7.316 1.00 0.00 H new ATOM 729 N TYR A 49 -3.605 -0.759 6.141 1.00 0.00 N ATOM 730 CA TYR A 49 -4.276 0.188 5.259 1.00 0.00 C ATOM 731 C TYR A 49 -5.659 -0.328 4.903 1.00 0.00 C ATOM 732 O TYR A 49 -6.648 0.405 4.962 1.00 0.00 O ATOM 733 CB TYR A 49 -3.477 0.414 3.971 1.00 0.00 C ATOM 734 CG TYR A 49 -4.052 1.521 3.108 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.213 2.806 3.617 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.453 1.282 1.796 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.751 3.816 2.849 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.988 2.293 1.021 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.138 3.556 1.555 1.00 0.00 C ATOM 740 OH TYR A 49 -5.675 4.561 0.793 1.00 0.00 O ATOM 0 H TYR A 49 -2.739 -1.145 5.765 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.356 1.137 5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.446 0.658 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.453 -0.512 3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.911 3.016 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.344 0.292 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.868 4.807 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.287 2.095 0.002 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.648 4.575 0.908 1.00 0.00 H new ATOM 750 N LEU A 50 -5.717 -1.602 4.541 1.00 0.00 N ATOM 751 CA LEU A 50 -6.967 -2.241 4.170 1.00 0.00 C ATOM 752 C LEU A 50 -7.928 -2.237 5.340 1.00 0.00 C ATOM 753 O LEU A 50 -9.108 -1.977 5.172 1.00 0.00 O ATOM 754 CB LEU A 50 -6.712 -3.668 3.708 1.00 0.00 C ATOM 755 CG LEU A 50 -5.546 -3.817 2.742 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.228 -5.281 2.507 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.839 -3.097 1.435 1.00 0.00 C ATOM 0 H LEU A 50 -4.904 -2.216 4.497 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.413 -1.680 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.526 -4.292 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.615 -4.049 3.230 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.666 -3.354 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.391 -5.365 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.963 -5.752 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.101 -5.780 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.994 -3.215 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.733 -3.522 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.001 -2.037 1.632 1.00 0.00 H new ATOM 769 N LYS A 51 -7.411 -2.507 6.528 1.00 0.00 N ATOM 770 CA LYS A 51 -8.238 -2.521 7.733 1.00 0.00 C ATOM 771 C LYS A 51 -8.841 -1.142 8.010 1.00 0.00 C ATOM 772 O LYS A 51 -9.873 -1.025 8.667 1.00 0.00 O ATOM 773 CB LYS A 51 -7.419 -2.978 8.943 1.00 0.00 C ATOM 774 CG LYS A 51 -7.566 -4.458 9.250 1.00 0.00 C ATOM 775 CD LYS A 51 -6.648 -5.308 8.389 1.00 0.00 C ATOM 776 CE LYS A 51 -7.158 -6.735 8.267 1.00 0.00 C ATOM 777 NZ LYS A 51 -7.653 -7.270 9.564 1.00 0.00 N ATOM 0 H LYS A 51 -6.426 -2.719 6.688 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.052 -3.226 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.367 -2.755 8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.724 -2.402 9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.343 -4.635 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.600 -4.762 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.565 -4.865 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.647 -5.314 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.962 -6.770 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.357 -7.374 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.766 -8.301 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.969 -7.047 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.570 -6.836 9.791 1.00 0.00 H new ATOM 791 N GLU A 52 -8.198 -0.106 7.496 1.00 0.00 N ATOM 792 CA GLU A 52 -8.657 1.264 7.693 1.00 0.00 C ATOM 793 C GLU A 52 -9.724 1.664 6.679 1.00 0.00 C ATOM 794 O GLU A 52 -10.536 2.552 6.936 1.00 0.00 O ATOM 795 CB GLU A 52 -7.482 2.231 7.577 1.00 0.00 C ATOM 796 CG GLU A 52 -6.538 2.216 8.767 1.00 0.00 C ATOM 797 CD GLU A 52 -6.474 3.557 9.468 1.00 0.00 C ATOM 798 OE1 GLU A 52 -6.337 4.590 8.774 1.00 0.00 O ATOM 799 OE2 GLU A 52 -6.566 3.587 10.713 1.00 0.00 O ATOM 0 H GLU A 52 -7.350 -0.187 6.935 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.095 1.314 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.916 1.990 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.870 3.242 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.862 1.454 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.539 1.936 8.432 1.00 0.00 H new ATOM 806 N ILE A 53 -9.713 1.017 5.525 1.00 0.00 N ATOM 807 CA ILE A 53 -10.657 1.340 4.458 1.00 0.00 C ATOM 808 C ILE A 53 -11.652 0.213 4.196 1.00 0.00 C ATOM 809 O ILE A 53 -12.569 0.365 3.397 1.00 0.00 O ATOM 810 CB ILE A 53 -9.905 1.634 3.145 1.00 0.00 C ATOM 811 CG1 ILE A 53 -8.996 0.450 2.797 1.00 0.00 C ATOM 812 CG2 ILE A 53 -9.097 2.919 3.271 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.286 0.585 1.473 1.00 0.00 C ATOM 0 H ILE A 53 -9.062 0.264 5.299 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.208 2.219 4.793 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.628 1.770 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.252 0.333 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.594 -0.461 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.572 3.112 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.767 3.750 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.372 2.815 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.664 -0.294 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.021 0.670 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.659 1.477 1.486 1.00 0.00 H new ATOM 825 N GLU A 54 -11.485 -0.901 4.878 1.00 0.00 N ATOM 826 CA GLU A 54 -12.356 -2.057 4.674 1.00 0.00 C ATOM 827 C GLU A 54 -13.817 -1.762 5.005 1.00 0.00 C ATOM 828 O GLU A 54 -14.716 -2.453 4.528 1.00 0.00 O ATOM 829 CB GLU A 54 -11.853 -3.259 5.473 1.00 0.00 C ATOM 830 CG GLU A 54 -11.974 -3.114 6.981 1.00 0.00 C ATOM 831 CD GLU A 54 -11.568 -4.381 7.705 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.399 -4.792 7.589 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.422 -4.988 8.380 1.00 0.00 O ATOM 0 H GLU A 54 -10.757 -1.038 5.579 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.317 -2.296 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.408 -4.144 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.807 -3.434 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.348 -2.287 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.002 -2.862 7.240 1.00 0.00 H new ATOM 840 N SER A 55 -14.057 -0.747 5.816 1.00 0.00 N ATOM 841 CA SER A 55 -15.416 -0.382 6.176 1.00 0.00 C ATOM 842 C SER A 55 -15.987 0.638 5.193 1.00 0.00 C ATOM 843 O SER A 55 -17.208 0.794 5.087 1.00 0.00 O ATOM 844 CB SER A 55 -15.453 0.163 7.601 1.00 0.00 C ATOM 845 OG SER A 55 -14.718 -0.679 8.474 1.00 0.00 O ATOM 0 H SER A 55 -13.333 -0.164 6.236 1.00 0.00 H new ATOM 0 HA SER A 55 -16.037 -1.276 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.037 1.170 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.486 0.237 7.942 1.00 0.00 H new ATOM 0 HG SER A 55 -14.750 -0.315 9.383 1.00 0.00 H new ATOM 851 N GLU A 56 -15.110 1.322 4.460 1.00 0.00 N ATOM 852 CA GLU A 56 -15.554 2.316 3.490 1.00 0.00 C ATOM 853 C GLU A 56 -15.849 1.621 2.172 1.00 0.00 C ATOM 854 O GLU A 56 -16.709 2.051 1.399 1.00 0.00 O ATOM 855 CB GLU A 56 -14.508 3.432 3.295 1.00 0.00 C ATOM 856 CG GLU A 56 -13.333 3.048 2.407 1.00 0.00 C ATOM 857 CD GLU A 56 -12.439 4.223 2.062 1.00 0.00 C ATOM 858 OE1 GLU A 56 -12.234 5.093 2.930 1.00 0.00 O ATOM 859 OE2 GLU A 56 -11.942 4.279 0.916 1.00 0.00 O ATOM 0 H GLU A 56 -14.098 1.207 4.519 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.459 2.793 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.001 4.304 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.127 3.730 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.740 2.283 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.711 2.604 1.486 1.00 0.00 H new ATOM 866 N ILE A 57 -15.133 0.532 1.937 1.00 0.00 N ATOM 867 CA ILE A 57 -15.300 -0.259 0.737 1.00 0.00 C ATOM 868 C ILE A 57 -16.553 -1.110 0.851 1.00 0.00 C ATOM 869 O ILE A 57 -16.710 -1.867 1.809 1.00 0.00 O ATOM 870 CB ILE A 57 -14.094 -1.186 0.501 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.782 -0.398 0.504 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.250 -1.941 -0.795 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.755 0.765 -0.463 1.00 0.00 C ATOM 0 H ILE A 57 -14.421 0.176 2.575 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.383 0.430 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.059 -1.904 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.599 -0.023 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.963 -1.076 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.388 -2.591 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.157 -2.545 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.319 -1.234 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.791 1.270 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.905 0.398 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.550 1.467 -0.210 1.00 0.00 H new ATOM 885 N ASP A 58 -17.436 -0.980 -0.113 1.00 0.00 N ATOM 886 CA ASP A 58 -18.672 -1.743 -0.131 1.00 0.00 C ATOM 887 C ASP A 58 -18.663 -2.710 -1.306 1.00 0.00 C ATOM 888 O ASP A 58 -19.316 -3.753 -1.285 1.00 0.00 O ATOM 889 CB ASP A 58 -19.876 -0.801 -0.228 1.00 0.00 C ATOM 890 CG ASP A 58 -21.197 -1.542 -0.268 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.518 -2.247 0.711 1.00 0.00 O ATOM 892 OD2 ASP A 58 -21.924 -1.417 -1.277 1.00 0.00 O ATOM 0 H ASP A 58 -17.323 -0.347 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.752 -2.311 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.871 -0.122 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.781 -0.188 -1.124 1.00 0.00 H new ATOM 897 N SER A 59 -17.871 -2.381 -2.316 1.00 0.00 N ATOM 898 CA SER A 59 -17.773 -3.197 -3.516 1.00 0.00 C ATOM 899 C SER A 59 -16.408 -3.868 -3.615 1.00 0.00 C ATOM 900 O SER A 59 -15.444 -3.432 -2.999 1.00 0.00 O ATOM 901 CB SER A 59 -18.023 -2.327 -4.745 1.00 0.00 C ATOM 902 OG SER A 59 -19.106 -1.440 -4.523 1.00 0.00 O ATOM 0 H SER A 59 -17.283 -1.548 -2.327 1.00 0.00 H new ATOM 0 HA SER A 59 -18.528 -3.982 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.124 -1.758 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.236 -2.960 -5.607 1.00 0.00 H new ATOM 0 HG SER A 59 -19.248 -0.891 -5.322 1.00 0.00 H new ATOM 908 N GLU A 60 -16.339 -4.945 -4.374 1.00 0.00 N ATOM 909 CA GLU A 60 -15.097 -5.680 -4.560 1.00 0.00 C ATOM 910 C GLU A 60 -14.116 -4.848 -5.382 1.00 0.00 C ATOM 911 O GLU A 60 -12.918 -4.822 -5.100 1.00 0.00 O ATOM 912 CB GLU A 60 -15.401 -7.031 -5.230 1.00 0.00 C ATOM 913 CG GLU A 60 -14.432 -7.426 -6.327 1.00 0.00 C ATOM 914 CD GLU A 60 -15.094 -7.484 -7.689 1.00 0.00 C ATOM 915 OE1 GLU A 60 -15.664 -6.462 -8.124 1.00 0.00 O ATOM 916 OE2 GLU A 60 -15.066 -8.561 -8.322 1.00 0.00 O ATOM 0 H GLU A 60 -17.136 -5.335 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.631 -5.876 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.400 -7.808 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.407 -6.996 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.609 -6.712 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.001 -8.399 -6.094 1.00 0.00 H new ATOM 923 N GLU A 61 -14.651 -4.141 -6.369 1.00 0.00 N ATOM 924 CA GLU A 61 -13.853 -3.302 -7.253 1.00 0.00 C ATOM 925 C GLU A 61 -13.055 -2.256 -6.475 1.00 0.00 C ATOM 926 O GLU A 61 -11.868 -2.065 -6.729 1.00 0.00 O ATOM 927 CB GLU A 61 -14.756 -2.614 -8.271 1.00 0.00 C ATOM 928 CG GLU A 61 -14.065 -2.320 -9.587 1.00 0.00 C ATOM 929 CD GLU A 61 -14.928 -1.508 -10.523 1.00 0.00 C ATOM 930 OE1 GLU A 61 -15.890 -2.066 -11.084 1.00 0.00 O ATOM 931 OE2 GLU A 61 -14.649 -0.304 -10.702 1.00 0.00 O ATOM 0 H GLU A 61 -15.649 -4.133 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.141 -3.946 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.625 -3.244 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.125 -1.680 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.137 -1.782 -9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.795 -3.259 -10.070 1.00 0.00 H new ATOM 938 N GLU A 62 -13.711 -1.590 -5.528 1.00 0.00 N ATOM 939 CA GLU A 62 -13.057 -0.562 -4.720 1.00 0.00 C ATOM 940 C GLU A 62 -11.882 -1.149 -3.948 1.00 0.00 C ATOM 941 O GLU A 62 -10.811 -0.546 -3.875 1.00 0.00 O ATOM 942 CB GLU A 62 -14.040 0.062 -3.729 1.00 0.00 C ATOM 943 CG GLU A 62 -15.421 0.321 -4.299 1.00 0.00 C ATOM 944 CD GLU A 62 -16.374 0.852 -3.253 1.00 0.00 C ATOM 945 OE1 GLU A 62 -16.785 0.072 -2.379 1.00 0.00 O ATOM 946 OE2 GLU A 62 -16.703 2.054 -3.297 1.00 0.00 O ATOM 0 H GLU A 62 -14.694 -1.743 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.696 0.208 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.134 -0.596 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.626 1.004 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.347 1.036 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.820 -0.603 -4.717 1.00 0.00 H new ATOM 953 N LEU A 63 -12.095 -2.328 -3.377 1.00 0.00 N ATOM 954 CA LEU A 63 -11.064 -3.005 -2.602 1.00 0.00 C ATOM 955 C LEU A 63 -9.898 -3.392 -3.494 1.00 0.00 C ATOM 956 O LEU A 63 -8.744 -3.121 -3.163 1.00 0.00 O ATOM 957 CB LEU A 63 -11.644 -4.237 -1.905 1.00 0.00 C ATOM 958 CG LEU A 63 -10.906 -4.675 -0.636 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.666 -3.490 0.289 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.692 -5.755 0.086 1.00 0.00 C ATOM 0 H LEU A 63 -12.977 -2.837 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.697 -2.320 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.684 -4.035 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.645 -5.068 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.938 -5.081 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.141 -3.827 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.063 -2.742 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.622 -3.051 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.155 -6.056 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.673 -5.368 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.813 -6.617 -0.570 1.00 0.00 H new ATOM 972 N ILE A 64 -10.202 -4.006 -4.630 1.00 0.00 N ATOM 973 CA ILE A 64 -9.171 -4.407 -5.573 1.00 0.00 C ATOM 974 C ILE A 64 -8.401 -3.181 -6.055 1.00 0.00 C ATOM 975 O ILE A 64 -7.180 -3.212 -6.171 1.00 0.00 O ATOM 976 CB ILE A 64 -9.774 -5.169 -6.772 1.00 0.00 C ATOM 977 CG1 ILE A 64 -10.387 -6.484 -6.291 1.00 0.00 C ATOM 978 CG2 ILE A 64 -8.719 -5.432 -7.841 1.00 0.00 C ATOM 979 CD1 ILE A 64 -11.209 -7.198 -7.339 1.00 0.00 C ATOM 0 H ILE A 64 -11.153 -4.236 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.485 -5.082 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.554 -4.552 -7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.587 -7.146 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.017 -6.284 -5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.171 -5.970 -8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.317 -4.483 -8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.913 -6.031 -7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -11.609 -8.121 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -12.031 -6.557 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.580 -7.432 -8.198 1.00 0.00 H new ATOM 991 N ASN A 65 -9.127 -2.096 -6.304 1.00 0.00 N ATOM 992 CA ASN A 65 -8.527 -0.841 -6.749 1.00 0.00 C ATOM 993 C ASN A 65 -7.539 -0.315 -5.709 1.00 0.00 C ATOM 994 O ASN A 65 -6.409 0.045 -6.038 1.00 0.00 O ATOM 995 CB ASN A 65 -9.627 0.198 -7.016 1.00 0.00 C ATOM 996 CG ASN A 65 -9.174 1.636 -6.809 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.646 2.271 -7.722 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.401 2.162 -5.611 1.00 0.00 N ATOM 0 H ASN A 65 -10.141 -2.060 -6.204 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.980 -1.025 -7.674 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.983 0.082 -8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.473 -0.005 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.135 3.128 -5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.841 1.600 -4.882 1.00 0.00 H new ATOM 1005 N LYS A 66 -7.972 -0.295 -4.454 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.142 0.193 -3.359 1.00 0.00 C ATOM 1007 C LYS A 66 -5.892 -0.659 -3.187 1.00 0.00 C ATOM 1008 O LYS A 66 -4.785 -0.130 -3.087 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.945 0.217 -2.057 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.905 1.396 -1.944 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.161 2.715 -1.796 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.824 3.622 -0.769 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.220 3.975 -1.143 1.00 0.00 N ATOM 0 H LYS A 66 -8.898 -0.613 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.827 1.207 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.512 -0.710 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.253 0.243 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.541 1.434 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.561 1.250 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.131 2.520 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.124 3.222 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.825 3.127 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.238 4.534 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.244 4.945 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.562 3.315 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.831 3.913 -0.303 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.069 -1.977 -3.174 1.00 0.00 N ATOM 1028 CA LYS A 67 -4.948 -2.893 -3.000 1.00 0.00 C ATOM 1029 C LYS A 67 -4.021 -2.854 -4.209 1.00 0.00 C ATOM 1030 O LYS A 67 -2.804 -2.981 -4.071 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.452 -4.315 -2.756 1.00 0.00 C ATOM 1032 CG LYS A 67 -6.492 -4.395 -1.654 1.00 0.00 C ATOM 1033 CD LYS A 67 -6.544 -5.764 -0.998 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.640 -5.809 0.054 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.516 -6.983 0.959 1.00 0.00 N ATOM 0 H LYS A 67 -6.975 -2.433 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.380 -2.572 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.878 -4.707 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.608 -4.954 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.273 -3.642 -0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.472 -4.156 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.725 -6.529 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.582 -5.991 -0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.609 -4.894 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.611 -5.836 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.018 -6.790 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.931 -7.820 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.511 -7.161 1.160 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.602 -2.667 -5.386 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.829 -2.594 -6.615 1.00 0.00 C ATOM 1051 C ARG A 68 -2.899 -1.389 -6.585 1.00 0.00 C ATOM 1052 O ARG A 68 -1.726 -1.492 -6.932 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.765 -2.510 -7.824 1.00 0.00 C ATOM 1054 CG ARG A 68 -4.057 -2.275 -9.149 1.00 0.00 C ATOM 1055 CD ARG A 68 -5.052 -2.171 -10.296 1.00 0.00 C ATOM 1056 NE ARG A 68 -5.998 -1.073 -10.109 1.00 0.00 N ATOM 1057 CZ ARG A 68 -7.311 -1.172 -10.316 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -7.844 -2.310 -10.742 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -8.084 -0.115 -10.112 1.00 0.00 N ATOM 0 H ARG A 68 -5.609 -2.563 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.225 -3.497 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.337 -3.435 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.480 -1.704 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.468 -1.360 -9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.361 -3.091 -9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.511 -2.027 -11.232 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.600 -3.109 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.630 -0.173 -9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.248 -3.119 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.850 -2.375 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.673 0.765 -9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.090 -0.181 -10.268 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.420 -0.251 -6.146 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.629 0.970 -6.087 1.00 0.00 C ATOM 1075 C ILE A 69 -1.615 0.933 -4.949 1.00 0.00 C ATOM 1076 O ILE A 69 -0.437 1.203 -5.169 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.516 2.226 -5.932 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.430 2.388 -7.150 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.651 3.469 -5.745 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.141 3.724 -7.195 1.00 0.00 C ATOM 0 H ILE A 69 -4.383 -0.148 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.097 1.029 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.139 2.103 -5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.838 2.269 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.172 1.590 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.291 4.345 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.039 3.355 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.005 3.596 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.771 3.771 -8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.760 3.837 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.405 4.527 -7.230 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.060 0.582 -3.745 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.168 0.549 -2.587 1.00 0.00 C ATOM 1094 C ILE A 70 0.047 -0.361 -2.825 1.00 0.00 C ATOM 1095 O ILE A 70 1.179 0.025 -2.533 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.913 0.141 -1.287 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.992 0.272 -0.072 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.467 -1.268 -1.383 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.548 1.691 0.199 1.00 0.00 C ATOM 0 H ILE A 70 -3.025 0.318 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.802 1.567 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.754 0.823 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.508 -0.113 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.112 -0.353 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.982 -1.520 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.168 -1.327 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.649 -1.970 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.102 1.708 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.004 2.073 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.421 2.317 0.384 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.180 -1.546 -3.389 1.00 0.00 N ATOM 1112 CA GLU A 71 0.908 -2.480 -3.654 1.00 0.00 C ATOM 1113 C GLU A 71 1.753 -1.988 -4.827 1.00 0.00 C ATOM 1114 O GLU A 71 2.978 -2.115 -4.821 1.00 0.00 O ATOM 1115 CB GLU A 71 0.354 -3.880 -3.941 1.00 0.00 C ATOM 1116 CG GLU A 71 1.427 -4.932 -4.193 1.00 0.00 C ATOM 1117 CD GLU A 71 2.118 -5.404 -2.923 1.00 0.00 C ATOM 1118 OE1 GLU A 71 1.555 -6.268 -2.222 1.00 0.00 O ATOM 1119 OE2 GLU A 71 3.240 -4.933 -2.633 1.00 0.00 O ATOM 0 H GLU A 71 -1.103 -1.879 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 71 1.542 -2.536 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.260 -4.197 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.301 -3.829 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.975 -5.789 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.174 -4.523 -4.874 1.00 0.00 H new ATOM 1126 N LYS A 72 1.095 -1.400 -5.823 1.00 0.00 N ATOM 1127 CA LYS A 72 1.791 -0.889 -6.999 1.00 0.00 C ATOM 1128 C LYS A 72 2.716 0.263 -6.617 1.00 0.00 C ATOM 1129 O LYS A 72 3.810 0.390 -7.162 1.00 0.00 O ATOM 1130 CB LYS A 72 0.795 -0.428 -8.065 1.00 0.00 C ATOM 1131 CG LYS A 72 1.393 -0.356 -9.459 1.00 0.00 C ATOM 1132 CD LYS A 72 0.355 0.026 -10.500 1.00 0.00 C ATOM 1133 CE LYS A 72 0.035 1.512 -10.458 1.00 0.00 C ATOM 1134 NZ LYS A 72 -0.745 1.943 -11.647 1.00 0.00 N ATOM 0 H LYS A 72 0.084 -1.266 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 72 2.391 -1.700 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.055 -1.111 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.410 0.555 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.203 0.373 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.829 -1.321 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.720 -0.239 -11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.557 -0.547 -10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.529 1.737 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.963 2.082 -10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.943 2.962 -11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.197 1.752 -12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.642 1.417 -11.683 1.00 0.00 H new ATOM 1148 N VAL A 73 2.272 1.099 -5.683 1.00 0.00 N ATOM 1149 CA VAL A 73 3.078 2.223 -5.223 1.00 0.00 C ATOM 1150 C VAL A 73 4.356 1.708 -4.563 1.00 0.00 C ATOM 1151 O VAL A 73 5.452 2.205 -4.831 1.00 0.00 O ATOM 1152 CB VAL A 73 2.290 3.126 -4.246 1.00 0.00 C ATOM 1153 CG1 VAL A 73 3.207 4.116 -3.543 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.187 3.866 -4.991 1.00 0.00 C ATOM 0 H VAL A 73 1.361 1.019 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 73 3.340 2.830 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 73 1.842 2.488 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.621 4.735 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.964 3.573 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.694 4.750 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.638 4.499 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.628 4.485 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.504 3.145 -5.441 1.00 0.00 H new ATOM 1164 N ILE A 74 4.209 0.685 -3.724 1.00 0.00 N ATOM 1165 CA ILE A 74 5.349 0.077 -3.049 1.00 0.00 C ATOM 1166 C ILE A 74 6.263 -0.581 -4.086 1.00 0.00 C ATOM 1167 O ILE A 74 7.492 -0.505 -4.002 1.00 0.00 O ATOM 1168 CB ILE A 74 4.891 -0.983 -2.019 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.950 -0.351 -0.986 1.00 0.00 C ATOM 1170 CG2 ILE A 74 6.092 -1.615 -1.331 1.00 0.00 C ATOM 1171 CD1 ILE A 74 3.127 -1.358 -0.210 1.00 0.00 C ATOM 0 H ILE A 74 3.310 0.261 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 74 5.889 0.860 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 74 4.349 -1.767 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.540 0.239 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.277 0.338 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.749 -2.358 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.726 -2.097 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.662 -0.844 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.487 -0.835 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.509 -1.932 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.792 -2.033 0.329 1.00 0.00 H new ATOM 1183 N HIS A 75 5.637 -1.215 -5.072 1.00 0.00 N ATOM 1184 CA HIS A 75 6.351 -1.883 -6.158 1.00 0.00 C ATOM 1185 C HIS A 75 7.141 -0.868 -6.984 1.00 0.00 C ATOM 1186 O HIS A 75 8.244 -1.152 -7.456 1.00 0.00 O ATOM 1187 CB HIS A 75 5.347 -2.644 -7.038 1.00 0.00 C ATOM 1188 CG HIS A 75 5.880 -3.103 -8.364 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.895 -4.024 -8.494 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.524 -2.762 -9.626 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.138 -4.230 -9.773 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.321 -3.478 -10.482 1.00 0.00 N ATOM 0 H HIS A 75 4.622 -1.281 -5.142 1.00 0.00 H new ATOM 0 HA HIS A 75 7.062 -2.595 -5.738 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.991 -3.514 -6.486 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.483 -2.003 -7.214 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.755 -2.057 -9.906 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.882 -4.903 -10.173 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.287 -3.435 -11.501 1.00 0.00 H new ATOM 1201 N ARG A 76 6.566 0.313 -7.159 1.00 0.00 N ATOM 1202 CA ARG A 76 7.211 1.376 -7.914 1.00 0.00 C ATOM 1203 C ARG A 76 8.385 1.948 -7.132 1.00 0.00 C ATOM 1204 O ARG A 76 9.469 2.156 -7.678 1.00 0.00 O ATOM 1205 CB ARG A 76 6.209 2.487 -8.229 1.00 0.00 C ATOM 1206 CG ARG A 76 6.807 3.645 -9.013 1.00 0.00 C ATOM 1207 CD ARG A 76 5.884 4.847 -9.021 1.00 0.00 C ATOM 1208 NE ARG A 76 5.709 5.422 -7.689 1.00 0.00 N ATOM 1209 CZ ARG A 76 4.538 5.839 -7.210 1.00 0.00 C ATOM 1210 NH1 ARG A 76 3.427 5.678 -7.920 1.00 0.00 N ATOM 1211 NH2 ARG A 76 4.464 6.396 -6.012 1.00 0.00 N ATOM 0 H ARG A 76 5.649 0.559 -6.786 1.00 0.00 H new ATOM 0 HA ARG A 76 7.581 0.956 -8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.379 2.066 -8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.796 2.867 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.766 3.924 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.003 3.329 -10.038 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.286 5.606 -9.692 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.912 4.553 -9.418 1.00 0.00 H new ATOM 0 HE ARG A 76 6.531 5.509 -7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.468 5.233 -8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.533 5.999 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.307 6.508 -5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.564 6.713 -5.652 1.00 0.00 H new ATOM 1225 N LEU A 77 8.159 2.180 -5.846 1.00 0.00 N ATOM 1226 CA LEU A 77 9.175 2.733 -4.958 1.00 0.00 C ATOM 1227 C LEU A 77 10.442 1.876 -4.937 1.00 0.00 C ATOM 1228 O LEU A 77 11.560 2.395 -4.973 1.00 0.00 O ATOM 1229 CB LEU A 77 8.598 2.858 -3.543 1.00 0.00 C ATOM 1230 CG LEU A 77 9.620 3.020 -2.414 1.00 0.00 C ATOM 1231 CD1 LEU A 77 10.383 4.324 -2.563 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.923 2.966 -1.064 1.00 0.00 C ATOM 0 H LEU A 77 7.267 1.991 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 77 9.456 3.717 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.923 3.714 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.996 1.973 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 77 10.334 2.198 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.104 4.419 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.909 4.331 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.685 5.160 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.660 3.082 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.190 3.771 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.418 2.006 -0.953 1.00 0.00 H new ATOM 1244 N THR A 78 10.261 0.567 -4.924 1.00 0.00 N ATOM 1245 CA THR A 78 11.380 -0.361 -4.863 1.00 0.00 C ATOM 1246 C THR A 78 12.007 -0.640 -6.230 1.00 0.00 C ATOM 1247 O THR A 78 12.991 -1.375 -6.321 1.00 0.00 O ATOM 1248 CB THR A 78 10.931 -1.691 -4.240 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.671 -2.090 -4.797 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.802 -1.561 -2.731 1.00 0.00 C ATOM 0 H THR A 78 9.345 0.119 -4.955 1.00 0.00 H new ATOM 0 HA THR A 78 12.140 0.118 -4.245 1.00 0.00 H new ATOM 0 HB THR A 78 11.684 -2.447 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.949 -1.588 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.483 -2.514 -2.310 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.766 -1.281 -2.306 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.064 -0.794 -2.494 1.00 0.00 H new ATOM 1258 N HIS A 79 11.457 -0.063 -7.289 1.00 0.00 N ATOM 1259 CA HIS A 79 11.994 -0.297 -8.627 1.00 0.00 C ATOM 1260 C HIS A 79 12.182 1.002 -9.400 1.00 0.00 C ATOM 1261 O HIS A 79 13.302 1.493 -9.539 1.00 0.00 O ATOM 1262 CB HIS A 79 11.085 -1.242 -9.419 1.00 0.00 C ATOM 1263 CG HIS A 79 11.246 -2.690 -9.067 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.330 -3.450 -9.455 1.00 0.00 N ATOM 1265 CD2 HIS A 79 10.443 -3.520 -8.362 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.180 -4.683 -9.012 1.00 0.00 C ATOM 1267 NE2 HIS A 79 11.046 -4.752 -8.345 1.00 0.00 N ATOM 0 H HIS A 79 10.651 0.562 -7.253 1.00 0.00 H new ATOM 0 HA HIS A 79 12.973 -0.760 -8.500 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.047 -0.953 -9.253 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.286 -1.114 -10.483 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.502 -3.261 -7.899 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.870 -5.499 -9.169 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.676 -5.586 -7.890 1.00 0.00 H new ATOM 1276 N TYR A 80 11.080 1.553 -9.894 1.00 0.00 N ATOM 1277 CA TYR A 80 11.103 2.786 -10.680 1.00 0.00 C ATOM 1278 C TYR A 80 11.647 3.958 -9.869 1.00 0.00 C ATOM 1279 O TYR A 80 12.543 4.672 -10.319 1.00 0.00 O ATOM 1280 CB TYR A 80 9.695 3.109 -11.182 1.00 0.00 C ATOM 1281 CG TYR A 80 9.010 1.948 -11.876 1.00 0.00 C ATOM 1282 CD1 TYR A 80 9.255 1.667 -13.214 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.117 1.135 -11.189 1.00 0.00 C ATOM 1284 CE1 TYR A 80 8.627 0.607 -13.845 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.489 0.076 -11.814 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.745 -0.184 -13.140 1.00 0.00 C ATOM 1287 OH TYR A 80 7.116 -1.240 -13.761 1.00 0.00 O ATOM 0 H TYR A 80 10.147 1.162 -9.763 1.00 0.00 H new ATOM 0 HA TYR A 80 11.768 2.630 -11.529 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.083 3.428 -10.338 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.750 3.951 -11.872 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.945 2.284 -13.770 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.910 1.335 -10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.827 0.400 -14.886 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.799 -0.546 -11.263 1.00 0.00 H new ATOM 0 HH TYR A 80 6.529 -1.694 -13.121 1.00 0.00 H new ATOM 1297 N ASP A 81 11.108 4.152 -8.672 1.00 0.00 N ATOM 1298 CA ASP A 81 11.551 5.241 -7.809 1.00 0.00 C ATOM 1299 C ASP A 81 12.996 5.018 -7.386 1.00 0.00 C ATOM 1300 O ASP A 81 13.837 5.905 -7.531 1.00 0.00 O ATOM 1301 CB ASP A 81 10.654 5.363 -6.576 1.00 0.00 C ATOM 1302 CG ASP A 81 9.358 6.097 -6.867 1.00 0.00 C ATOM 1303 OD1 ASP A 81 9.413 7.192 -7.467 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.282 5.585 -6.498 1.00 0.00 O ATOM 0 H ASP A 81 10.367 3.573 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 81 11.483 6.172 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.426 4.367 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.195 5.887 -5.788 1.00 0.00 H new ATOM 1309 N HIS A 82 13.268 3.823 -6.859 1.00 0.00 N ATOM 1310 CA HIS A 82 14.614 3.439 -6.425 1.00 0.00 C ATOM 1311 C HIS A 82 15.136 4.381 -5.337 1.00 0.00 C ATOM 1312 O HIS A 82 16.339 4.594 -5.210 1.00 0.00 O ATOM 1313 CB HIS A 82 15.572 3.420 -7.625 1.00 0.00 C ATOM 1314 CG HIS A 82 16.748 2.503 -7.463 1.00 0.00 C ATOM 1315 ND1 HIS A 82 17.883 2.601 -8.236 1.00 0.00 N ATOM 1316 CD2 HIS A 82 16.959 1.469 -6.617 1.00 0.00 C ATOM 1317 CE1 HIS A 82 18.740 1.666 -7.876 1.00 0.00 C ATOM 1318 NE2 HIS A 82 18.204 0.965 -6.897 1.00 0.00 N ATOM 0 H HIS A 82 12.566 3.096 -6.721 1.00 0.00 H new ATOM 0 HA HIS A 82 14.560 2.437 -6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.016 3.124 -8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.937 4.432 -7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.276 1.108 -5.863 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.715 1.502 -8.310 1.00 0.00 H new ATOM 0 HE2 HIS A 82 18.644 0.175 -6.424 1.00 0.00 H new ATOM 1327 N VAL A 83 14.224 4.932 -4.547 1.00 0.00 N ATOM 1328 CA VAL A 83 14.588 5.849 -3.472 1.00 0.00 C ATOM 1329 C VAL A 83 14.305 5.192 -2.111 1.00 0.00 C ATOM 1330 O VAL A 83 14.004 5.845 -1.107 1.00 0.00 O ATOM 1331 CB VAL A 83 13.840 7.199 -3.624 1.00 0.00 C ATOM 1332 CG1 VAL A 83 12.353 7.040 -3.367 1.00 0.00 C ATOM 1333 CG2 VAL A 83 14.442 8.268 -2.724 1.00 0.00 C ATOM 0 H VAL A 83 13.222 4.760 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 83 15.655 6.065 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 83 13.963 7.527 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.859 8.005 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.934 6.331 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.196 6.670 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.896 9.202 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.374 7.949 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.488 8.420 -2.989 1.00 0.00 H new ATOM 1343 N LEU A 84 14.425 3.875 -2.100 1.00 0.00 N ATOM 1344 CA LEU A 84 14.202 3.083 -0.900 1.00 0.00 C ATOM 1345 C LEU A 84 15.504 2.911 -0.122 1.00 0.00 C ATOM 1346 O LEU A 84 16.595 3.103 -0.665 1.00 0.00 O ATOM 1347 CB LEU A 84 13.640 1.708 -1.278 1.00 0.00 C ATOM 1348 CG LEU A 84 14.606 0.799 -2.046 1.00 0.00 C ATOM 1349 CD1 LEU A 84 14.371 -0.658 -1.682 1.00 0.00 C ATOM 1350 CD2 LEU A 84 14.458 0.997 -3.548 1.00 0.00 C ATOM 0 H LEU A 84 14.679 3.325 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 84 13.483 3.606 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.331 1.196 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.744 1.852 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 84 15.623 1.070 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.066 -1.288 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.531 -0.796 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.348 -0.936 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.154 0.341 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.438 0.757 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.676 2.034 -3.802 1.00 0.00 H new ATOM 1362 N ILE A 85 15.384 2.573 1.153 1.00 0.00 N ATOM 1363 CA ILE A 85 16.543 2.370 2.012 1.00 0.00 C ATOM 1364 C ILE A 85 16.513 0.969 2.616 1.00 0.00 C ATOM 1365 O ILE A 85 15.501 0.554 3.170 1.00 0.00 O ATOM 1366 CB ILE A 85 16.585 3.415 3.146 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.399 4.820 2.577 1.00 0.00 C ATOM 1368 CG2 ILE A 85 17.896 3.323 3.912 1.00 0.00 C ATOM 1369 CD1 ILE A 85 15.778 5.784 3.560 1.00 0.00 C ATOM 0 H ILE A 85 14.488 2.432 1.620 1.00 0.00 H new ATOM 0 HA ILE A 85 17.436 2.485 1.398 1.00 0.00 H new ATOM 0 HB ILE A 85 15.769 3.207 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.367 5.208 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.772 4.764 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 85 17.906 4.068 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 85 17.995 2.328 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.728 3.507 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.674 6.763 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.796 5.418 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.416 5.868 4.440 1.00 0.00 H new ATOM 1381 N GLU A 86 17.607 0.235 2.472 1.00 0.00 N ATOM 1382 CA GLU A 86 17.700 -1.115 3.016 1.00 0.00 C ATOM 1383 C GLU A 86 19.125 -1.419 3.466 1.00 0.00 C ATOM 1384 O GLU A 86 20.083 -0.845 2.948 1.00 0.00 O ATOM 1385 CB GLU A 86 17.229 -2.156 1.991 1.00 0.00 C ATOM 1386 CG GLU A 86 17.350 -1.704 0.541 1.00 0.00 C ATOM 1387 CD GLU A 86 18.767 -1.767 0.005 1.00 0.00 C ATOM 1388 OE1 GLU A 86 19.522 -0.790 0.184 1.00 0.00 O ATOM 1389 OE2 GLU A 86 19.126 -2.785 -0.623 1.00 0.00 O ATOM 0 H GLU A 86 18.444 0.551 1.983 1.00 0.00 H new ATOM 0 HA GLU A 86 17.043 -1.171 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.809 -3.069 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.188 -2.406 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.707 -2.327 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.983 -0.681 0.455 1.00 0.00 H new ATOM 1672 N TYR A 107 14.820 -4.728 6.470 1.00 0.00 N ATOM 1673 CA TYR A 107 13.591 -4.532 5.719 1.00 0.00 C ATOM 1674 C TYR A 107 13.742 -3.388 4.730 1.00 0.00 C ATOM 1675 O TYR A 107 14.854 -2.987 4.394 1.00 0.00 O ATOM 1676 CB TYR A 107 12.423 -4.248 6.665 1.00 0.00 C ATOM 1677 CG TYR A 107 12.088 -5.399 7.580 1.00 0.00 C ATOM 1678 CD1 TYR A 107 11.222 -6.405 7.174 1.00 0.00 C ATOM 1679 CD2 TYR A 107 12.643 -5.483 8.849 1.00 0.00 C ATOM 1680 CE1 TYR A 107 10.917 -7.460 8.009 1.00 0.00 C ATOM 1681 CE2 TYR A 107 12.345 -6.534 9.689 1.00 0.00 C ATOM 1682 CZ TYR A 107 11.482 -7.520 9.265 1.00 0.00 C ATOM 1683 OH TYR A 107 11.177 -8.566 10.105 1.00 0.00 O ATOM 0 HA TYR A 107 13.384 -5.449 5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 107 12.662 -3.373 7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 107 11.542 -3.997 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.780 -6.361 6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.320 -4.711 9.184 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.240 -8.234 7.681 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.786 -6.584 10.674 1.00 0.00 H new ATOM 0 HH TYR A 107 11.660 -8.458 10.951 1.00 0.00 H new ATOM 1693 N LEU A 108 12.613 -2.870 4.268 1.00 0.00 N ATOM 1694 CA LEU A 108 12.610 -1.779 3.313 1.00 0.00 C ATOM 1695 C LEU A 108 12.137 -0.489 3.959 1.00 0.00 C ATOM 1696 O LEU A 108 11.166 -0.478 4.717 1.00 0.00 O ATOM 1697 CB LEU A 108 11.722 -2.120 2.118 1.00 0.00 C ATOM 1698 CG LEU A 108 12.200 -3.306 1.288 1.00 0.00 C ATOM 1699 CD1 LEU A 108 11.290 -3.511 0.092 1.00 0.00 C ATOM 1700 CD2 LEU A 108 13.638 -3.087 0.846 1.00 0.00 C ATOM 0 H LEU A 108 11.685 -3.192 4.543 1.00 0.00 H new ATOM 0 HA LEU A 108 13.633 -1.634 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.715 -2.329 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.654 -1.245 1.471 1.00 0.00 H new ATOM 0 HG LEU A 108 12.163 -4.207 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 108 11.643 -4.361 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.274 -3.704 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.298 -2.615 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.970 -3.940 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.699 -2.181 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.277 -2.984 1.723 1.00 0.00 H new ATOM 1712 N VAL A 109 12.848 0.585 3.662 1.00 0.00 N ATOM 1713 CA VAL A 109 12.530 1.901 4.179 1.00 0.00 C ATOM 1714 C VAL A 109 12.391 2.871 3.011 1.00 0.00 C ATOM 1715 O VAL A 109 12.786 2.551 1.891 1.00 0.00 O ATOM 1716 CB VAL A 109 13.631 2.417 5.145 1.00 0.00 C ATOM 1717 CG1 VAL A 109 13.138 3.602 5.963 1.00 0.00 C ATOM 1718 CG2 VAL A 109 14.121 1.305 6.059 1.00 0.00 C ATOM 0 H VAL A 109 13.666 0.567 3.052 1.00 0.00 H new ATOM 0 HA VAL A 109 11.596 1.834 4.737 1.00 0.00 H new ATOM 0 HB VAL A 109 14.470 2.753 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.932 3.940 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.856 4.414 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.272 3.302 6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.891 1.694 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.287 0.926 6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 109 14.536 0.496 5.458 1.00 0.00 H new ATOM 1728 N VAL A 110 11.835 4.041 3.261 1.00 0.00 N ATOM 1729 CA VAL A 110 11.664 5.039 2.221 1.00 0.00 C ATOM 1730 C VAL A 110 12.279 6.362 2.664 1.00 0.00 C ATOM 1731 O VAL A 110 12.182 6.736 3.835 1.00 0.00 O ATOM 1732 CB VAL A 110 10.172 5.223 1.859 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.369 5.719 3.053 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.011 6.164 0.675 1.00 0.00 C ATOM 0 H VAL A 110 11.493 4.325 4.179 1.00 0.00 H new ATOM 0 HA VAL A 110 12.178 4.692 1.325 1.00 0.00 H new ATOM 0 HB VAL A 110 9.780 4.246 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.325 5.838 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.441 4.996 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.765 6.679 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.952 6.276 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.433 7.138 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.532 5.753 -0.190 1.00 0.00 H new ATOM 1744 N ASN A 111 12.940 7.044 1.738 1.00 0.00 N ATOM 1745 CA ASN A 111 13.570 8.323 2.036 1.00 0.00 C ATOM 1746 C ASN A 111 12.508 9.377 2.316 1.00 0.00 C ATOM 1747 O ASN A 111 11.501 9.447 1.609 1.00 0.00 O ATOM 1748 CB ASN A 111 14.447 8.780 0.869 1.00 0.00 C ATOM 1749 CG ASN A 111 15.434 9.859 1.267 1.00 0.00 C ATOM 1750 OD1 ASN A 111 15.099 11.044 1.299 1.00 0.00 O ATOM 1751 ND2 ASN A 111 16.663 9.461 1.556 1.00 0.00 N ATOM 0 H ASN A 111 13.054 6.732 0.773 1.00 0.00 H new ATOM 0 HA ASN A 111 14.197 8.196 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.992 7.923 0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.811 9.153 0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.373 10.146 1.817 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.900 8.470 1.518 1.00 0.00 H new ATOM 1758 N PRO A 112 12.710 10.197 3.361 1.00 0.00 N ATOM 1759 CA PRO A 112 11.777 11.264 3.726 1.00 0.00 C ATOM 1760 C PRO A 112 11.553 12.255 2.585 1.00 0.00 C ATOM 1761 O PRO A 112 10.555 12.979 2.563 1.00 0.00 O ATOM 1762 CB PRO A 112 12.452 11.962 4.913 1.00 0.00 C ATOM 1763 CG PRO A 112 13.870 11.501 4.893 1.00 0.00 C ATOM 1764 CD PRO A 112 13.848 10.128 4.289 1.00 0.00 C ATOM 0 HA PRO A 112 10.790 10.867 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.390 13.046 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.966 11.697 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.492 12.176 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.287 11.478 5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.779 9.900 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.707 9.356 5.045 1.00 0.00 H new ATOM 1772 N ASN A 113 12.475 12.276 1.632 1.00 0.00 N ATOM 1773 CA ASN A 113 12.359 13.168 0.491 1.00 0.00 C ATOM 1774 C ASN A 113 11.750 12.408 -0.680 1.00 0.00 C ATOM 1775 O ASN A 113 12.386 12.204 -1.716 1.00 0.00 O ATOM 1776 CB ASN A 113 13.721 13.754 0.107 1.00 0.00 C ATOM 1777 CG ASN A 113 13.597 14.986 -0.775 1.00 0.00 C ATOM 1778 OD1 ASN A 113 13.385 16.096 -0.286 1.00 0.00 O ATOM 1779 ND2 ASN A 113 13.732 14.801 -2.079 1.00 0.00 N ATOM 0 H ASN A 113 13.308 11.687 1.628 1.00 0.00 H new ATOM 0 HA ASN A 113 11.709 14.001 0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 113 14.270 14.013 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 113 14.305 12.996 -0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.661 15.594 -2.717 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.907 13.866 -2.446 1.00 0.00 H new ATOM 1786 N TYR A 114 10.524 11.953 -0.488 1.00 0.00 N ATOM 1787 CA TYR A 114 9.811 11.210 -1.510 1.00 0.00 C ATOM 1788 C TYR A 114 8.941 12.156 -2.327 1.00 0.00 C ATOM 1789 O TYR A 114 8.068 12.833 -1.785 1.00 0.00 O ATOM 1790 CB TYR A 114 8.950 10.121 -0.865 1.00 0.00 C ATOM 1791 CG TYR A 114 8.358 9.142 -1.854 1.00 0.00 C ATOM 1792 CD1 TYR A 114 9.140 8.151 -2.428 1.00 0.00 C ATOM 1793 CD2 TYR A 114 7.016 9.203 -2.202 1.00 0.00 C ATOM 1794 CE1 TYR A 114 8.602 7.246 -3.323 1.00 0.00 C ATOM 1795 CE2 TYR A 114 6.470 8.303 -3.097 1.00 0.00 C ATOM 1796 CZ TYR A 114 7.267 7.327 -3.655 1.00 0.00 C ATOM 1797 OH TYR A 114 6.727 6.425 -4.545 1.00 0.00 O ATOM 0 H TYR A 114 9.998 12.088 0.376 1.00 0.00 H new ATOM 0 HA TYR A 114 10.534 10.735 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 114 9.556 9.572 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 114 8.141 10.594 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 114 10.187 8.085 -2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.388 9.966 -1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 114 9.225 6.479 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 114 5.424 8.364 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 114 7.416 6.140 -5.181 1.00 0.00 H new ATOM 1807 N LEU A 115 9.199 12.215 -3.620 1.00 0.00 N ATOM 1808 CA LEU A 115 8.436 13.079 -4.506 1.00 0.00 C ATOM 1809 C LEU A 115 7.304 12.300 -5.162 1.00 0.00 C ATOM 1810 O LEU A 115 7.218 11.078 -5.020 1.00 0.00 O ATOM 1811 CB LEU A 115 9.334 13.746 -5.573 1.00 0.00 C ATOM 1812 CG LEU A 115 10.442 12.891 -6.235 1.00 0.00 C ATOM 1813 CD1 LEU A 115 11.608 12.663 -5.287 1.00 0.00 C ATOM 1814 CD2 LEU A 115 9.911 11.559 -6.745 1.00 0.00 C ATOM 0 H LEU A 115 9.931 11.675 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 115 8.007 13.877 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.686 14.123 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.811 14.611 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 115 10.799 13.459 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.368 12.059 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.037 13.623 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.256 12.143 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.724 10.994 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.496 10.990 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.132 11.738 -7.487 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.374 -9.794 -2.114 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.705 -9.783 -2.713 1.00 0.00 C ATOM 2022 C LEU B 390 -7.500 -11.009 -2.271 1.00 0.00 C ATOM 2023 O LEU B 390 -8.693 -11.119 -2.544 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.605 -9.736 -4.239 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.480 -8.673 -4.911 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.110 -7.276 -4.421 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.357 -8.763 -6.426 1.00 0.00 C ATOM 0 HA LEU B 390 -7.228 -8.889 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.566 -9.558 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.877 -10.714 -4.637 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.518 -8.862 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -7.745 -6.538 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.255 -7.219 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.066 -7.072 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -7.985 -8.001 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.319 -8.603 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.679 -9.750 -6.759 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.833 -11.917 -1.563 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.464 -13.138 -1.069 1.00 0.00 C ATOM 2041 C GLU B 391 -8.551 -12.823 -0.045 1.00 0.00 C ATOM 2042 O GLU B 391 -9.349 -13.686 0.308 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.421 -14.072 -0.460 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.449 -14.638 -1.481 1.00 0.00 C ATOM 2045 CD GLU B 391 -6.015 -15.816 -2.242 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -6.923 -15.619 -3.076 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -5.547 -16.953 -2.011 1.00 0.00 O ATOM 0 H GLU B 391 -5.847 -11.829 -1.317 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.931 -13.638 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.861 -13.531 0.303 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.930 -14.895 0.042 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -5.174 -13.854 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -4.535 -14.945 -0.973 1.00 0.00 H new ATOM 2054 N ARG B 392 -8.567 -11.594 0.450 1.00 0.00 N ATOM 2055 CA ARG B 392 -9.586 -11.177 1.401 1.00 0.00 C ATOM 2056 C ARG B 392 -10.853 -10.768 0.651 1.00 0.00 C ATOM 2057 O ARG B 392 -11.954 -10.813 1.192 1.00 0.00 O ATOM 2058 CB ARG B 392 -9.077 -10.020 2.275 1.00 0.00 C ATOM 2059 CG ARG B 392 -10.170 -9.348 3.097 1.00 0.00 C ATOM 2060 CD ARG B 392 -9.841 -9.328 4.584 1.00 0.00 C ATOM 2061 NE ARG B 392 -10.983 -8.895 5.392 1.00 0.00 N ATOM 2062 CZ ARG B 392 -11.014 -7.780 6.125 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -9.953 -6.977 6.182 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -12.107 -7.471 6.813 1.00 0.00 N ATOM 0 H ARG B 392 -7.889 -10.871 0.210 1.00 0.00 H new ATOM 0 HA ARG B 392 -9.817 -12.015 2.058 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -8.307 -10.396 2.949 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.604 -9.274 1.636 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -10.312 -8.326 2.744 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -11.113 -9.872 2.942 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -9.530 -10.324 4.900 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.998 -8.660 4.760 1.00 0.00 H new ATOM 0 HE ARG B 392 -11.813 -9.487 5.395 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -9.107 -7.212 5.663 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -9.986 -6.127 6.745 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -12.921 -8.085 6.781 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -12.133 -6.619 7.374 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.685 -10.409 -0.620 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.798 -9.979 -1.465 1.00 0.00 C ATOM 2080 C ILE B 393 -12.827 -11.094 -1.637 1.00 0.00 C ATOM 2081 O ILE B 393 -14.028 -10.835 -1.623 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.303 -9.484 -2.851 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.866 -8.020 -2.772 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.377 -9.641 -3.920 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.589 -7.803 -1.994 1.00 0.00 C ATOM 0 H ILE B 393 -9.780 -10.408 -1.091 1.00 0.00 H new ATOM 0 HA ILE B 393 -12.280 -9.143 -0.958 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.450 -10.102 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.733 -7.636 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -11.664 -7.437 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.994 -9.284 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.651 -10.692 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.256 -9.059 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.346 -6.741 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.722 -8.155 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -8.777 -8.357 -2.466 1.00 0.00 H new ATOM 2097 N ARG B 394 -12.357 -12.333 -1.771 1.00 0.00 N ATOM 2098 CA ARG B 394 -13.260 -13.470 -1.934 1.00 0.00 C ATOM 2099 C ARG B 394 -14.173 -13.599 -0.714 1.00 0.00 C ATOM 2100 O ARG B 394 -15.308 -14.058 -0.819 1.00 0.00 O ATOM 2101 CB ARG B 394 -12.477 -14.766 -2.177 1.00 0.00 C ATOM 2102 CG ARG B 394 -11.493 -15.125 -1.076 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.699 -16.382 -1.415 1.00 0.00 C ATOM 2104 NE ARG B 394 -9.739 -16.165 -2.503 1.00 0.00 N ATOM 2105 CZ ARG B 394 -9.970 -16.465 -3.780 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -11.120 -17.020 -4.142 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -9.034 -16.223 -4.690 1.00 0.00 N ATOM 0 H ARG B 394 -11.366 -12.574 -1.770 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.881 -13.293 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -13.185 -15.586 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.933 -14.676 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.807 -14.293 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -12.033 -15.277 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -10.166 -16.721 -0.527 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -11.388 -17.178 -1.697 1.00 0.00 H new ATOM 0 HE ARG B 394 -8.835 -15.757 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -11.833 -17.219 -3.441 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -11.291 -17.247 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -8.145 -15.810 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -9.204 -16.450 -5.670 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.672 -13.168 0.439 1.00 0.00 N ATOM 2122 CA ALA B 395 -14.445 -13.202 1.672 1.00 0.00 C ATOM 2123 C ALA B 395 -15.284 -11.936 1.771 1.00 0.00 C ATOM 2124 O ALA B 395 -16.440 -11.962 2.194 1.00 0.00 O ATOM 2125 CB ALA B 395 -13.525 -13.330 2.876 1.00 0.00 C ATOM 0 H ALA B 395 -12.730 -12.790 0.544 1.00 0.00 H new ATOM 0 HA ALA B 395 -15.104 -14.070 1.661 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -14.121 -13.354 3.788 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.947 -14.251 2.796 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -12.847 -12.477 2.908 1.00 0.00 H new ATOM 2131 N LYS B 396 -14.678 -10.829 1.354 1.00 0.00 N ATOM 2132 CA LYS B 396 -15.326 -9.524 1.358 1.00 0.00 C ATOM 2133 C LYS B 396 -16.583 -9.549 0.493 1.00 0.00 C ATOM 2134 O LYS B 396 -17.580 -8.895 0.810 1.00 0.00 O ATOM 2135 CB LYS B 396 -14.339 -8.459 0.849 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.982 -7.134 0.470 1.00 0.00 C ATOM 2137 CD LYS B 396 -15.160 -7.001 -1.038 1.00 0.00 C ATOM 2138 CE LYS B 396 -16.602 -6.683 -1.401 1.00 0.00 C ATOM 2139 NZ LYS B 396 -17.047 -5.387 -0.826 1.00 0.00 N ATOM 0 H LYS B 396 -13.721 -10.813 1.003 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.623 -9.275 2.377 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -13.590 -8.278 1.620 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.813 -8.855 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.952 -7.048 0.959 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -14.366 -6.313 0.837 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -14.506 -6.214 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.857 -7.928 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -16.705 -6.653 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -17.251 -7.481 -1.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -17.968 -5.126 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -17.136 -5.477 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -16.349 -4.650 -1.050 1.00 0.00 H new