USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=18 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= 0.0298 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 81:sc= 0.235 USER MOD Single : A 21 SER OG : rot 87:sc= 1.24 USER MOD Single : A 22 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.9!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc=-0.00335 (180deg=-0.105) USER MOD Single : A 38 SER OG : rot 180:sc= -0.232 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.145 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 49 TYR OH : rot -140:sc= -0.783 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.02) 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= -0.0613 K(o=-0.061,f=-0.72) USER MOD Single : A 66 LYS NZ :NH3+ 144:sc= 1.22 (180deg=0.373) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= -5.2! (180deg=-5.42!) 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 -89:sc= 1.29 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0037) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.608 K(o=-0.61,f=-4.8!) USER MOD Single : A 113 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.3!) USER MOD Single : A 114 TYR OH : rot -96:sc= 1.23 USER MOD Single : B 396 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.95) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -6.424 12.050 -9.696 1.00 0.00 N ATOM 140 CA PHE A 14 -5.435 11.333 -8.901 1.00 0.00 C ATOM 141 C PHE A 14 -5.801 11.359 -7.420 1.00 0.00 C ATOM 142 O PHE A 14 -4.938 11.196 -6.558 1.00 0.00 O ATOM 143 CB PHE A 14 -4.029 11.918 -9.126 1.00 0.00 C ATOM 144 CG PHE A 14 -3.929 13.405 -8.910 1.00 0.00 C ATOM 145 CD1 PHE A 14 -4.220 14.289 -9.937 1.00 0.00 C ATOM 146 CD2 PHE A 14 -3.532 13.915 -7.686 1.00 0.00 C ATOM 147 CE1 PHE A 14 -4.118 15.653 -9.745 1.00 0.00 C ATOM 148 CE2 PHE A 14 -3.430 15.279 -7.488 1.00 0.00 C ATOM 149 CZ PHE A 14 -3.723 16.147 -8.519 1.00 0.00 C ATOM 0 HA PHE A 14 -5.429 10.293 -9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.330 11.418 -8.455 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.713 11.689 -10.144 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.530 13.907 -10.898 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.299 13.239 -6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.347 16.332 -10.553 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.121 15.665 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.643 17.213 -8.367 1.00 0.00 H new ATOM 159 N SER A 15 -7.087 11.535 -7.132 1.00 0.00 N ATOM 160 CA SER A 15 -7.573 11.580 -5.757 1.00 0.00 C ATOM 161 C SER A 15 -7.162 10.323 -4.989 1.00 0.00 C ATOM 162 O SER A 15 -6.629 10.401 -3.879 1.00 0.00 O ATOM 163 CB SER A 15 -9.095 11.719 -5.757 1.00 0.00 C ATOM 164 OG SER A 15 -9.513 12.638 -6.754 1.00 0.00 O ATOM 0 H SER A 15 -7.815 11.649 -7.837 1.00 0.00 H new ATOM 0 HA SER A 15 -7.128 12.441 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.554 10.747 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.435 12.057 -4.778 1.00 0.00 H new ATOM 0 HG SER A 15 -10.490 12.713 -6.741 1.00 0.00 H new ATOM 170 N GLU A 16 -7.401 9.169 -5.598 1.00 0.00 N ATOM 171 CA GLU A 16 -7.059 7.888 -4.992 1.00 0.00 C ATOM 172 C GLU A 16 -5.552 7.766 -4.803 1.00 0.00 C ATOM 173 O GLU A 16 -5.083 7.266 -3.783 1.00 0.00 O ATOM 174 CB GLU A 16 -7.562 6.739 -5.866 1.00 0.00 C ATOM 175 CG GLU A 16 -9.026 6.860 -6.255 1.00 0.00 C ATOM 176 CD GLU A 16 -9.233 7.560 -7.585 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.154 8.805 -7.627 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.484 6.868 -8.596 1.00 0.00 O ATOM 0 H GLU A 16 -7.834 9.094 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.540 7.835 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.958 6.692 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.413 5.799 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.466 5.864 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.558 7.407 -5.477 1.00 0.00 H new ATOM 185 N TYR A 17 -4.803 8.239 -5.789 1.00 0.00 N ATOM 186 CA TYR A 17 -3.346 8.186 -5.742 1.00 0.00 C ATOM 187 C TYR A 17 -2.810 8.924 -4.522 1.00 0.00 C ATOM 188 O TYR A 17 -1.965 8.400 -3.793 1.00 0.00 O ATOM 189 CB TYR A 17 -2.748 8.787 -7.015 1.00 0.00 C ATOM 190 CG TYR A 17 -2.847 7.874 -8.217 1.00 0.00 C ATOM 191 CD1 TYR A 17 -3.998 7.835 -8.994 1.00 0.00 C ATOM 192 CD2 TYR A 17 -1.785 7.051 -8.573 1.00 0.00 C ATOM 193 CE1 TYR A 17 -4.088 7.001 -10.094 1.00 0.00 C ATOM 194 CE2 TYR A 17 -1.868 6.217 -9.673 1.00 0.00 C ATOM 195 CZ TYR A 17 -3.020 6.195 -10.429 1.00 0.00 C ATOM 196 OH TYR A 17 -3.105 5.366 -11.527 1.00 0.00 O ATOM 0 H TYR A 17 -5.181 8.666 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.053 7.139 -5.669 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.256 9.725 -7.238 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.700 9.027 -6.836 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.836 8.466 -8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.881 7.063 -7.982 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.990 6.981 -10.688 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.033 5.585 -9.939 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.268 4.866 -11.625 1.00 0.00 H new ATOM 206 N SER A 18 -3.311 10.132 -4.298 1.00 0.00 N ATOM 207 CA SER A 18 -2.886 10.940 -3.165 1.00 0.00 C ATOM 208 C SER A 18 -3.232 10.256 -1.842 1.00 0.00 C ATOM 209 O SER A 18 -2.458 10.311 -0.888 1.00 0.00 O ATOM 210 CB SER A 18 -3.538 12.323 -3.237 1.00 0.00 C ATOM 211 OG SER A 18 -3.394 12.878 -4.535 1.00 0.00 O ATOM 0 H SER A 18 -4.015 10.574 -4.889 1.00 0.00 H new ATOM 0 HA SER A 18 -1.803 11.054 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.595 12.246 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.082 12.984 -2.500 1.00 0.00 H new ATOM 0 HG SER A 18 -4.073 12.497 -5.131 1.00 0.00 H new ATOM 217 N ARG A 19 -4.380 9.586 -1.802 1.00 0.00 N ATOM 218 CA ARG A 19 -4.824 8.898 -0.595 1.00 0.00 C ATOM 219 C ARG A 19 -3.894 7.733 -0.249 1.00 0.00 C ATOM 220 O ARG A 19 -3.632 7.463 0.923 1.00 0.00 O ATOM 221 CB ARG A 19 -6.257 8.392 -0.769 1.00 0.00 C ATOM 222 CG ARG A 19 -6.885 7.900 0.527 1.00 0.00 C ATOM 223 CD ARG A 19 -6.913 8.998 1.578 1.00 0.00 C ATOM 224 NE ARG A 19 -6.866 8.465 2.936 1.00 0.00 N ATOM 225 CZ ARG A 19 -6.392 9.139 3.984 1.00 0.00 C ATOM 226 NH1 ARG A 19 -5.905 10.365 3.824 1.00 0.00 N ATOM 227 NH2 ARG A 19 -6.386 8.575 5.185 1.00 0.00 N ATOM 0 H ARG A 19 -5.020 9.505 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.796 9.612 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.870 9.194 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.262 7.581 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.900 7.553 0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.323 7.046 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.067 9.668 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.818 9.593 1.455 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.217 7.520 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.893 10.792 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.543 10.879 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.744 7.627 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.024 9.089 5.988 1.00 0.00 H new ATOM 241 N ILE A 20 -3.404 7.042 -1.269 1.00 0.00 N ATOM 242 CA ILE A 20 -2.509 5.911 -1.066 1.00 0.00 C ATOM 243 C ILE A 20 -1.104 6.399 -0.715 1.00 0.00 C ATOM 244 O ILE A 20 -0.501 5.946 0.256 1.00 0.00 O ATOM 245 CB ILE A 20 -2.453 4.994 -2.317 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.529 3.913 -2.241 1.00 0.00 C ATOM 247 CG2 ILE A 20 -1.083 4.345 -2.474 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.907 4.379 -2.653 1.00 0.00 C ATOM 0 H ILE A 20 -3.612 7.245 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.904 5.325 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.636 5.623 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.235 3.078 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.576 3.534 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.081 3.710 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.324 5.120 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.864 3.741 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.611 3.551 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.226 5.193 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.879 4.730 -3.685 1.00 0.00 H new ATOM 260 N SER A 21 -0.600 7.339 -1.507 1.00 0.00 N ATOM 261 CA SER A 21 0.736 7.893 -1.304 1.00 0.00 C ATOM 262 C SER A 21 0.860 8.589 0.053 1.00 0.00 C ATOM 263 O SER A 21 1.915 8.558 0.683 1.00 0.00 O ATOM 264 CB SER A 21 1.064 8.875 -2.429 1.00 0.00 C ATOM 265 OG SER A 21 0.729 8.324 -3.692 1.00 0.00 O ATOM 0 H SER A 21 -1.100 7.737 -2.302 1.00 0.00 H new ATOM 0 HA SER A 21 1.448 7.068 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.517 9.805 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.125 9.121 -2.405 1.00 0.00 H new ATOM 0 HG SER A 21 -0.210 8.518 -3.895 1.00 0.00 H new ATOM 271 N ASN A 22 -0.222 9.207 0.503 1.00 0.00 N ATOM 272 CA ASN A 22 -0.225 9.905 1.787 1.00 0.00 C ATOM 273 C ASN A 22 0.011 8.932 2.938 1.00 0.00 C ATOM 274 O ASN A 22 0.639 9.286 3.936 1.00 0.00 O ATOM 275 CB ASN A 22 -1.551 10.639 1.990 1.00 0.00 C ATOM 276 CG ASN A 22 -1.421 11.829 2.920 1.00 0.00 C ATOM 277 OD1 ASN A 22 -0.335 12.375 3.104 1.00 0.00 O ATOM 278 ND2 ASN A 22 -2.537 12.255 3.496 1.00 0.00 N ATOM 0 H ASN A 22 -1.110 9.241 0.001 1.00 0.00 H new ATOM 0 HA ASN A 22 0.587 10.632 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.927 10.977 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.288 9.945 2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.514 13.063 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.419 11.774 3.318 1.00 0.00 H new ATOM 285 N LEU A 23 -0.469 7.699 2.782 1.00 0.00 N ATOM 286 CA LEU A 23 -0.317 6.675 3.816 1.00 0.00 C ATOM 287 C LEU A 23 1.150 6.432 4.173 1.00 0.00 C ATOM 288 O LEU A 23 1.502 6.338 5.352 1.00 0.00 O ATOM 289 CB LEU A 23 -0.957 5.353 3.364 1.00 0.00 C ATOM 290 CG LEU A 23 -0.231 4.077 3.829 1.00 0.00 C ATOM 291 CD1 LEU A 23 -1.216 3.036 4.318 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.618 3.500 2.706 1.00 0.00 C ATOM 0 H LEU A 23 -0.967 7.384 1.949 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.826 7.045 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.983 5.321 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.007 5.346 2.275 1.00 0.00 H new ATOM 0 HG LEU A 23 0.421 4.352 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.675 2.146 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.784 3.438 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.899 2.773 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.122 2.599 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.020 3.252 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.362 4.235 2.398 1.00 0.00 H new ATOM 304 N ILE A 24 2.002 6.340 3.158 1.00 0.00 N ATOM 305 CA ILE A 24 3.410 6.066 3.382 1.00 0.00 C ATOM 306 C ILE A 24 4.102 7.229 4.083 1.00 0.00 C ATOM 307 O ILE A 24 4.989 7.022 4.902 1.00 0.00 O ATOM 308 CB ILE A 24 4.144 5.700 2.065 1.00 0.00 C ATOM 309 CG1 ILE A 24 5.428 4.947 2.373 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.454 6.924 1.221 1.00 0.00 C ATOM 311 CD1 ILE A 24 5.193 3.589 2.984 1.00 0.00 C ATOM 0 H ILE A 24 1.741 6.451 2.178 1.00 0.00 H new ATOM 0 HA ILE A 24 3.462 5.199 4.040 1.00 0.00 H new ATOM 0 HB ILE A 24 3.473 5.064 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.001 4.829 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.036 5.543 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.968 6.617 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.525 7.431 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.092 7.603 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.151 3.107 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.647 3.701 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.611 2.976 2.296 1.00 0.00 H new ATOM 323 N VAL A 25 3.669 8.444 3.790 1.00 0.00 N ATOM 324 CA VAL A 25 4.262 9.619 4.406 1.00 0.00 C ATOM 325 C VAL A 25 3.773 9.763 5.846 1.00 0.00 C ATOM 326 O VAL A 25 4.562 9.986 6.764 1.00 0.00 O ATOM 327 CB VAL A 25 3.930 10.905 3.618 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.681 12.101 4.186 1.00 0.00 C ATOM 329 CG2 VAL A 25 4.251 10.731 2.142 1.00 0.00 C ATOM 0 H VAL A 25 2.914 8.642 3.134 1.00 0.00 H new ATOM 0 HA VAL A 25 5.343 9.483 4.396 1.00 0.00 H new ATOM 0 HB VAL A 25 2.861 11.093 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.430 12.994 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.398 12.247 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.754 11.920 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.009 11.649 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.312 10.511 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.662 9.908 1.736 1.00 0.00 H new ATOM 339 N LEU A 26 2.467 9.601 6.032 1.00 0.00 N ATOM 340 CA LEU A 26 1.847 9.721 7.347 1.00 0.00 C ATOM 341 C LEU A 26 2.359 8.673 8.323 1.00 0.00 C ATOM 342 O LEU A 26 2.733 8.995 9.447 1.00 0.00 O ATOM 343 CB LEU A 26 0.333 9.592 7.229 1.00 0.00 C ATOM 344 CG LEU A 26 -0.382 10.823 6.685 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.775 10.445 6.213 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.453 11.913 7.745 1.00 0.00 C ATOM 0 H LEU A 26 1.812 9.384 5.281 1.00 0.00 H new ATOM 0 HA LEU A 26 2.113 10.704 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.106 8.744 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.074 9.360 8.213 1.00 0.00 H new ATOM 0 HG LEU A 26 0.183 11.212 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.280 11.330 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.701 9.695 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.345 10.039 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.967 12.784 7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.999 11.542 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.556 12.195 8.045 1.00 0.00 H new ATOM 358 N HIS A 27 2.378 7.419 7.902 1.00 0.00 N ATOM 359 CA HIS A 27 2.832 6.357 8.782 1.00 0.00 C ATOM 360 C HIS A 27 4.328 6.459 9.037 1.00 0.00 C ATOM 361 O HIS A 27 4.780 6.198 10.146 1.00 0.00 O ATOM 362 CB HIS A 27 2.474 4.980 8.223 1.00 0.00 C ATOM 363 CG HIS A 27 2.450 3.914 9.275 1.00 0.00 C ATOM 364 ND1 HIS A 27 1.469 3.841 10.240 1.00 0.00 N ATOM 365 CD2 HIS A 27 3.296 2.887 9.522 1.00 0.00 C ATOM 366 CE1 HIS A 27 1.715 2.818 11.040 1.00 0.00 C ATOM 367 NE2 HIS A 27 2.820 2.221 10.627 1.00 0.00 N ATOM 0 H HIS A 27 2.089 7.115 6.972 1.00 0.00 H new ATOM 0 HA HIS A 27 2.315 6.478 9.734 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.497 5.031 7.742 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.195 4.707 7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.181 2.637 8.956 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.115 2.520 11.887 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.249 1.402 11.057 1.00 0.00 H new ATOM 376 N LEU A 28 5.094 6.858 8.028 1.00 0.00 N ATOM 377 CA LEU A 28 6.542 6.979 8.183 1.00 0.00 C ATOM 378 C LEU A 28 6.891 8.069 9.189 1.00 0.00 C ATOM 379 O LEU A 28 7.678 7.834 10.105 1.00 0.00 O ATOM 380 CB LEU A 28 7.209 7.272 6.841 1.00 0.00 C ATOM 381 CG LEU A 28 8.543 6.560 6.595 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.638 7.153 7.466 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.410 5.067 6.850 1.00 0.00 C ATOM 0 H LEU A 28 4.743 7.101 7.102 1.00 0.00 H new ATOM 0 HA LEU A 28 6.917 6.027 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.518 6.996 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.372 8.347 6.764 1.00 0.00 H new ATOM 0 HG LEU A 28 8.818 6.707 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.577 6.633 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.756 8.211 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.368 7.041 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.368 4.580 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.107 4.900 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.659 4.649 6.180 1.00 0.00 H new ATOM 395 N ARG A 29 6.293 9.252 9.031 1.00 0.00 N ATOM 396 CA ARG A 29 6.560 10.369 9.939 1.00 0.00 C ATOM 397 C ARG A 29 6.199 9.994 11.377 1.00 0.00 C ATOM 398 O ARG A 29 6.829 10.457 12.327 1.00 0.00 O ATOM 399 CB ARG A 29 5.814 11.637 9.499 1.00 0.00 C ATOM 400 CG ARG A 29 4.299 11.523 9.558 1.00 0.00 C ATOM 401 CD ARG A 29 3.622 12.762 8.997 1.00 0.00 C ATOM 402 NE ARG A 29 3.684 13.888 9.928 1.00 0.00 N ATOM 403 CZ ARG A 29 3.147 15.085 9.691 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.555 15.337 8.530 1.00 0.00 N ATOM 405 NH2 ARG A 29 3.220 16.037 10.612 1.00 0.00 N ATOM 0 H ARG A 29 5.625 9.460 8.288 1.00 0.00 H new ATOM 0 HA ARG A 29 7.628 10.584 9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.129 12.468 10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.109 11.883 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.978 10.646 8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.985 11.372 10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.098 13.042 8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.580 12.535 8.771 1.00 0.00 H new ATOM 0 HE ARG A 29 4.169 13.749 10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.509 14.613 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.146 16.255 8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.687 15.853 11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.810 16.953 10.432 1.00 0.00 H new ATOM 419 N LYS A 30 5.190 9.145 11.530 1.00 0.00 N ATOM 420 CA LYS A 30 4.779 8.683 12.848 1.00 0.00 C ATOM 421 C LYS A 30 5.821 7.715 13.396 1.00 0.00 C ATOM 422 O LYS A 30 6.221 7.802 14.555 1.00 0.00 O ATOM 423 CB LYS A 30 3.419 7.984 12.782 1.00 0.00 C ATOM 424 CG LYS A 30 2.246 8.920 12.550 1.00 0.00 C ATOM 425 CD LYS A 30 0.959 8.137 12.337 1.00 0.00 C ATOM 426 CE LYS A 30 -0.237 9.054 12.131 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.549 9.848 13.347 1.00 0.00 N ATOM 0 H LYS A 30 4.643 8.764 10.758 1.00 0.00 H new ATOM 0 HA LYS A 30 4.693 9.548 13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.442 7.244 11.982 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.257 7.441 13.713 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.133 9.587 13.405 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.443 9.547 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.070 7.485 11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.779 7.494 13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.036 9.729 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.107 8.458 11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.471 10.315 13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.583 9.218 14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.188 10.568 13.490 1.00 0.00 H new ATOM 441 N VAL A 31 6.276 6.817 12.530 1.00 0.00 N ATOM 442 CA VAL A 31 7.263 5.805 12.888 1.00 0.00 C ATOM 443 C VAL A 31 8.612 6.421 13.264 1.00 0.00 C ATOM 444 O VAL A 31 9.204 6.047 14.280 1.00 0.00 O ATOM 445 CB VAL A 31 7.449 4.801 11.732 1.00 0.00 C ATOM 446 CG1 VAL A 31 8.669 3.924 11.946 1.00 0.00 C ATOM 447 CG2 VAL A 31 6.202 3.950 11.579 1.00 0.00 C ATOM 0 H VAL A 31 5.970 6.770 11.558 1.00 0.00 H new ATOM 0 HA VAL A 31 6.882 5.283 13.766 1.00 0.00 H new ATOM 0 HB VAL A 31 7.610 5.368 10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.768 3.229 11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.560 4.549 12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.556 3.363 12.874 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.342 3.244 10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.019 3.402 12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.348 4.592 11.363 1.00 0.00 H new ATOM 457 N GLU A 32 9.096 7.364 12.459 1.00 0.00 N ATOM 458 CA GLU A 32 10.378 8.014 12.732 1.00 0.00 C ATOM 459 C GLU A 32 10.316 8.784 14.045 1.00 0.00 C ATOM 460 O GLU A 32 11.320 8.939 14.735 1.00 0.00 O ATOM 461 CB GLU A 32 10.788 8.946 11.588 1.00 0.00 C ATOM 462 CG GLU A 32 9.728 9.960 11.211 1.00 0.00 C ATOM 463 CD GLU A 32 10.304 11.191 10.547 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.557 11.155 9.328 1.00 0.00 O ATOM 465 OE2 GLU A 32 10.500 12.207 11.248 1.00 0.00 O ATOM 0 H GLU A 32 8.624 7.694 11.617 1.00 0.00 H new ATOM 0 HA GLU A 32 11.134 7.234 12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.698 9.475 11.872 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.029 8.345 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.008 9.493 10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.182 10.258 12.106 1.00 0.00 H new ATOM 472 N GLU A 33 9.127 9.248 14.389 1.00 0.00 N ATOM 473 CA GLU A 33 8.924 9.983 15.623 1.00 0.00 C ATOM 474 C GLU A 33 8.822 9.013 16.798 1.00 0.00 C ATOM 475 O GLU A 33 9.240 9.318 17.913 1.00 0.00 O ATOM 476 CB GLU A 33 7.653 10.829 15.522 1.00 0.00 C ATOM 477 CG GLU A 33 7.447 11.781 16.688 1.00 0.00 C ATOM 478 CD GLU A 33 6.050 12.358 16.717 1.00 0.00 C ATOM 479 OE1 GLU A 33 5.819 13.403 16.070 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.173 11.763 17.379 1.00 0.00 O ATOM 0 H GLU A 33 8.284 9.127 13.827 1.00 0.00 H new ATOM 0 HA GLU A 33 9.775 10.644 15.788 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.686 11.406 14.598 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.792 10.165 15.453 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.640 11.254 17.623 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.172 12.593 16.624 1.00 0.00 H new ATOM 487 N GLU A 34 8.283 7.830 16.527 1.00 0.00 N ATOM 488 CA GLU A 34 8.103 6.813 17.555 1.00 0.00 C ATOM 489 C GLU A 34 9.381 6.018 17.826 1.00 0.00 C ATOM 490 O GLU A 34 9.962 6.115 18.904 1.00 0.00 O ATOM 491 CB GLU A 34 6.989 5.852 17.149 1.00 0.00 C ATOM 492 CG GLU A 34 5.599 6.424 17.324 1.00 0.00 C ATOM 493 CD GLU A 34 4.524 5.382 17.128 1.00 0.00 C ATOM 494 OE1 GLU A 34 4.481 4.420 17.922 1.00 0.00 O ATOM 495 OE2 GLU A 34 3.716 5.518 16.185 1.00 0.00 O ATOM 0 H GLU A 34 7.962 7.551 15.600 1.00 0.00 H new ATOM 0 HA GLU A 34 7.838 7.336 18.474 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.127 5.569 16.105 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.074 4.940 17.740 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.508 6.854 18.321 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.450 7.236 16.612 1.00 0.00 H new ATOM 502 N GLU A 35 9.812 5.228 16.850 1.00 0.00 N ATOM 503 CA GLU A 35 11.002 4.397 17.020 1.00 0.00 C ATOM 504 C GLU A 35 12.217 4.969 16.298 1.00 0.00 C ATOM 505 O GLU A 35 13.348 4.556 16.564 1.00 0.00 O ATOM 506 CB GLU A 35 10.726 2.971 16.539 1.00 0.00 C ATOM 507 CG GLU A 35 10.012 2.903 15.201 1.00 0.00 C ATOM 508 CD GLU A 35 9.717 1.484 14.776 1.00 0.00 C ATOM 509 OE1 GLU A 35 8.824 0.852 15.380 1.00 0.00 O ATOM 510 OE2 GLU A 35 10.379 0.993 13.841 1.00 0.00 O ATOM 0 H GLU A 35 9.361 5.144 15.939 1.00 0.00 H new ATOM 0 HA GLU A 35 11.235 4.383 18.085 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.671 2.434 16.464 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.125 2.455 17.288 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.079 3.462 15.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.625 3.387 14.440 1.00 0.00 H new ATOM 517 N ASP A 36 11.977 5.883 15.357 1.00 0.00 N ATOM 518 CA ASP A 36 13.055 6.537 14.596 1.00 0.00 C ATOM 519 C ASP A 36 13.705 5.580 13.590 1.00 0.00 C ATOM 520 O ASP A 36 14.495 5.993 12.743 1.00 0.00 O ATOM 521 CB ASP A 36 14.096 7.126 15.567 1.00 0.00 C ATOM 522 CG ASP A 36 15.367 7.610 14.897 1.00 0.00 C ATOM 523 OD1 ASP A 36 15.330 8.662 14.228 1.00 0.00 O ATOM 524 OD2 ASP A 36 16.414 6.946 15.058 1.00 0.00 O ATOM 0 H ASP A 36 11.040 6.192 15.099 1.00 0.00 H new ATOM 0 HA ASP A 36 12.619 7.350 14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.643 7.958 16.106 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.355 6.369 16.308 1.00 0.00 H new ATOM 529 N GLU A 37 13.340 4.305 13.662 1.00 0.00 N ATOM 530 CA GLU A 37 13.885 3.296 12.770 1.00 0.00 C ATOM 531 C GLU A 37 13.392 3.507 11.349 1.00 0.00 C ATOM 532 O GLU A 37 14.136 3.335 10.382 1.00 0.00 O ATOM 533 CB GLU A 37 13.493 1.907 13.266 1.00 0.00 C ATOM 534 CG GLU A 37 14.079 0.785 12.442 1.00 0.00 C ATOM 535 CD GLU A 37 15.535 0.532 12.756 1.00 0.00 C ATOM 536 OE1 GLU A 37 16.390 1.336 12.325 1.00 0.00 O ATOM 537 OE2 GLU A 37 15.835 -0.474 13.436 1.00 0.00 O ATOM 0 H GLU A 37 12.663 3.947 14.336 1.00 0.00 H new ATOM 0 HA GLU A 37 14.972 3.383 12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.817 1.795 14.301 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.406 1.821 13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.509 -0.127 12.620 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.976 1.024 11.384 1.00 0.00 H new ATOM 544 N SER A 38 12.132 3.879 11.256 1.00 0.00 N ATOM 545 CA SER A 38 11.463 4.148 9.983 1.00 0.00 C ATOM 546 C SER A 38 11.430 2.917 9.064 1.00 0.00 C ATOM 547 O SER A 38 11.215 3.038 7.858 1.00 0.00 O ATOM 548 CB SER A 38 12.148 5.323 9.284 1.00 0.00 C ATOM 549 OG SER A 38 12.349 6.399 10.185 1.00 0.00 O ATOM 0 H SER A 38 11.529 4.007 12.069 1.00 0.00 H new ATOM 0 HA SER A 38 10.426 4.402 10.200 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.106 5.001 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.540 5.656 8.443 1.00 0.00 H new ATOM 0 HG SER A 38 12.790 7.139 9.718 1.00 0.00 H new ATOM 555 N ALA A 39 11.614 1.734 9.639 1.00 0.00 N ATOM 556 CA ALA A 39 11.600 0.502 8.863 1.00 0.00 C ATOM 557 C ALA A 39 10.444 -0.388 9.300 1.00 0.00 C ATOM 558 O ALA A 39 10.489 -1.004 10.365 1.00 0.00 O ATOM 559 CB ALA A 39 12.926 -0.229 9.004 1.00 0.00 C ATOM 0 H ALA A 39 11.774 1.603 10.638 1.00 0.00 H new ATOM 0 HA ALA A 39 11.459 0.754 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.899 -1.148 8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.733 0.408 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.098 -0.472 10.053 1.00 0.00 H new ATOM 565 N LEU A 40 9.403 -0.441 8.483 1.00 0.00 N ATOM 566 CA LEU A 40 8.227 -1.244 8.791 1.00 0.00 C ATOM 567 C LEU A 40 8.175 -2.478 7.899 1.00 0.00 C ATOM 568 O LEU A 40 9.148 -2.799 7.206 1.00 0.00 O ATOM 569 CB LEU A 40 6.943 -0.421 8.598 1.00 0.00 C ATOM 570 CG LEU A 40 6.805 0.841 9.458 1.00 0.00 C ATOM 571 CD1 LEU A 40 7.380 0.620 10.844 1.00 0.00 C ATOM 572 CD2 LEU A 40 7.471 2.029 8.782 1.00 0.00 C ATOM 0 H LEU A 40 9.348 0.064 7.599 1.00 0.00 H new ATOM 0 HA LEU A 40 8.297 -1.556 9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.879 -0.129 7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.089 -1.068 8.801 1.00 0.00 H new ATOM 0 HG LEU A 40 5.743 1.060 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.269 1.530 11.433 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.848 -0.196 11.333 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.437 0.366 10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.361 2.913 9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.530 1.818 8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.000 2.209 7.816 1.00 0.00 H new ATOM 584 N LYS A 41 7.044 -3.171 7.922 1.00 0.00 N ATOM 585 CA LYS A 41 6.859 -4.356 7.102 1.00 0.00 C ATOM 586 C LYS A 41 6.098 -3.991 5.834 1.00 0.00 C ATOM 587 O LYS A 41 5.174 -3.174 5.864 1.00 0.00 O ATOM 588 CB LYS A 41 6.106 -5.443 7.878 1.00 0.00 C ATOM 589 CG LYS A 41 6.778 -5.841 9.185 1.00 0.00 C ATOM 590 CD LYS A 41 8.196 -6.332 8.951 1.00 0.00 C ATOM 591 CE LYS A 41 8.921 -6.604 10.261 1.00 0.00 C ATOM 592 NZ LYS A 41 10.362 -6.882 10.039 1.00 0.00 N ATOM 0 H LYS A 41 6.240 -2.930 8.502 1.00 0.00 H new ATOM 0 HA LYS A 41 7.839 -4.749 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.097 -5.091 8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.009 -6.326 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.794 -4.987 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.196 -6.623 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.172 -7.243 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.749 -5.588 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.813 -5.745 10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.459 -7.454 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.825 -7.063 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.464 -7.717 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.807 -6.061 9.581 1.00 0.00 H new ATOM 606 N ARG A 42 6.495 -4.601 4.725 1.00 0.00 N ATOM 607 CA ARG A 42 5.873 -4.343 3.427 1.00 0.00 C ATOM 608 C ARG A 42 4.370 -4.622 3.465 1.00 0.00 C ATOM 609 O ARG A 42 3.558 -3.748 3.156 1.00 0.00 O ATOM 610 CB ARG A 42 6.543 -5.201 2.349 1.00 0.00 C ATOM 611 CG ARG A 42 6.003 -4.967 0.945 1.00 0.00 C ATOM 612 CD ARG A 42 6.787 -5.761 -0.092 1.00 0.00 C ATOM 613 NE ARG A 42 6.794 -7.195 0.201 1.00 0.00 N ATOM 614 CZ ARG A 42 7.726 -8.047 -0.231 1.00 0.00 C ATOM 615 NH1 ARG A 42 8.734 -7.621 -0.983 1.00 0.00 N ATOM 616 NH2 ARG A 42 7.647 -9.331 0.091 1.00 0.00 N ATOM 0 H ARG A 42 7.252 -5.284 4.696 1.00 0.00 H new ATOM 0 HA ARG A 42 6.011 -3.289 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.614 -5.000 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.415 -6.253 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.952 -5.253 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.054 -3.905 0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.353 -5.595 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.813 -5.394 -0.129 1.00 0.00 H new ATOM 0 HE ARG A 42 6.036 -7.568 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.801 -6.635 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.441 -8.280 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.875 -9.666 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.358 -9.984 -0.238 1.00 0.00 H new ATOM 630 N SER A 43 4.005 -5.834 3.860 1.00 0.00 N ATOM 631 CA SER A 43 2.606 -6.232 3.931 1.00 0.00 C ATOM 632 C SER A 43 1.853 -5.455 5.008 1.00 0.00 C ATOM 633 O SER A 43 0.659 -5.207 4.874 1.00 0.00 O ATOM 634 CB SER A 43 2.522 -7.730 4.208 1.00 0.00 C ATOM 635 OG SER A 43 3.821 -8.299 4.281 1.00 0.00 O ATOM 0 H SER A 43 4.663 -6.562 4.138 1.00 0.00 H new ATOM 0 HA SER A 43 2.135 -6.004 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.990 -7.903 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.949 -8.219 3.421 1.00 0.00 H new ATOM 0 HG SER A 43 3.748 -9.260 4.461 1.00 0.00 H new ATOM 641 N GLU A 44 2.565 -5.067 6.064 1.00 0.00 N ATOM 642 CA GLU A 44 1.978 -4.327 7.179 1.00 0.00 C ATOM 643 C GLU A 44 1.360 -3.009 6.720 1.00 0.00 C ATOM 644 O GLU A 44 0.211 -2.712 7.052 1.00 0.00 O ATOM 645 CB GLU A 44 3.042 -4.053 8.246 1.00 0.00 C ATOM 646 CG GLU A 44 2.595 -3.084 9.327 1.00 0.00 C ATOM 647 CD GLU A 44 3.755 -2.512 10.111 1.00 0.00 C ATOM 648 OE1 GLU A 44 4.917 -2.698 9.695 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.509 -1.872 11.157 1.00 0.00 O ATOM 0 H GLU A 44 3.562 -5.256 6.171 1.00 0.00 H new ATOM 0 HA GLU A 44 1.184 -4.943 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.326 -4.996 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.934 -3.656 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.033 -2.269 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.916 -3.595 10.010 1.00 0.00 H new ATOM 656 N LEU A 45 2.127 -2.227 5.959 1.00 0.00 N ATOM 657 CA LEU A 45 1.662 -0.932 5.458 1.00 0.00 C ATOM 658 C LEU A 45 0.321 -1.060 4.744 1.00 0.00 C ATOM 659 O LEU A 45 -0.604 -0.286 4.988 1.00 0.00 O ATOM 660 CB LEU A 45 2.694 -0.320 4.505 1.00 0.00 C ATOM 661 CG LEU A 45 3.562 0.796 5.099 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.696 1.899 5.685 1.00 0.00 C ATOM 663 CD2 LEU A 45 4.504 0.238 6.154 1.00 0.00 C ATOM 0 H LEU A 45 3.076 -2.469 5.675 1.00 0.00 H new ATOM 0 HA LEU A 45 1.534 -0.277 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.349 -1.115 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.170 0.076 3.635 1.00 0.00 H new ATOM 0 HG LEU A 45 4.161 1.224 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.333 2.680 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.067 2.322 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.066 1.487 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.111 1.045 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.923 -0.221 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.154 -0.511 5.702 1.00 0.00 H new ATOM 675 N VAL A 46 0.222 -2.038 3.865 1.00 0.00 N ATOM 676 CA VAL A 46 -1.003 -2.269 3.120 1.00 0.00 C ATOM 677 C VAL A 46 -2.081 -2.867 4.015 1.00 0.00 C ATOM 678 O VAL A 46 -3.235 -2.460 3.967 1.00 0.00 O ATOM 679 CB VAL A 46 -0.762 -3.220 1.935 1.00 0.00 C ATOM 680 CG1 VAL A 46 -2.003 -3.316 1.069 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.431 -2.768 1.112 1.00 0.00 C ATOM 0 H VAL A 46 0.977 -2.688 3.648 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.335 -1.301 2.745 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.542 -4.210 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.814 -3.993 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.833 -3.696 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.255 -2.328 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.581 -3.456 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.247 -1.766 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.322 -2.757 1.739 1.00 0.00 H new ATOM 691 N ASN A 47 -1.672 -3.809 4.850 1.00 0.00 N ATOM 692 CA ASN A 47 -2.572 -4.529 5.751 1.00 0.00 C ATOM 693 C ASN A 47 -3.476 -3.594 6.554 1.00 0.00 C ATOM 694 O ASN A 47 -4.703 -3.705 6.483 1.00 0.00 O ATOM 695 CB ASN A 47 -1.759 -5.409 6.701 1.00 0.00 C ATOM 696 CG ASN A 47 -2.608 -6.424 7.445 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.653 -6.859 6.962 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.147 -6.822 8.617 1.00 0.00 N ATOM 0 H ASN A 47 -0.698 -4.102 4.926 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.221 -5.147 5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.991 -5.933 6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.245 -4.775 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.662 -7.516 9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.276 -6.435 8.980 1.00 0.00 H new ATOM 705 N TRP A 48 -2.888 -2.662 7.303 1.00 0.00 N ATOM 706 CA TRP A 48 -3.692 -1.746 8.109 1.00 0.00 C ATOM 707 C TRP A 48 -4.470 -0.774 7.223 1.00 0.00 C ATOM 708 O TRP A 48 -5.543 -0.306 7.602 1.00 0.00 O ATOM 709 CB TRP A 48 -2.849 -1.007 9.166 1.00 0.00 C ATOM 710 CG TRP A 48 -1.906 0.033 8.635 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.604 -0.153 8.283 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.184 1.424 8.424 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.055 1.031 7.860 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.004 2.013 7.933 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.317 2.228 8.592 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.922 3.364 7.613 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.232 3.570 8.275 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.041 4.125 7.789 1.00 0.00 C ATOM 0 H TRP A 48 -1.880 -2.523 7.368 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.416 -2.348 8.658 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.526 -0.530 9.875 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.271 -1.744 9.724 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.079 -1.096 8.330 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.906 1.158 7.542 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.240 1.807 8.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.005 3.795 7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.098 4.202 8.404 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.008 5.177 7.549 1.00 0.00 H new ATOM 729 N TYR A 49 -3.930 -0.483 6.041 1.00 0.00 N ATOM 730 CA TYR A 49 -4.587 0.421 5.101 1.00 0.00 C ATOM 731 C TYR A 49 -5.923 -0.165 4.683 1.00 0.00 C ATOM 732 O TYR A 49 -6.954 0.506 4.700 1.00 0.00 O ATOM 733 CB TYR A 49 -3.723 0.637 3.852 1.00 0.00 C ATOM 734 CG TYR A 49 -4.194 1.785 2.976 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.275 3.076 3.487 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.555 1.586 1.642 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.697 4.131 2.704 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.979 2.638 0.856 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.049 3.909 1.392 1.00 0.00 C ATOM 740 OH TYR A 49 -5.468 4.961 0.613 1.00 0.00 O ATOM 0 H TYR A 49 -3.041 -0.860 5.712 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.734 1.381 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.695 0.825 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.717 -0.280 3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.002 3.256 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.502 0.594 1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.751 5.127 3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.255 2.468 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.213 4.672 0.046 1.00 0.00 H new ATOM 750 N LEU A 50 -5.884 -1.438 4.329 1.00 0.00 N ATOM 751 CA LEU A 50 -7.064 -2.158 3.891 1.00 0.00 C ATOM 752 C LEU A 50 -8.071 -2.259 5.016 1.00 0.00 C ATOM 753 O LEU A 50 -9.257 -2.036 4.811 1.00 0.00 O ATOM 754 CB LEU A 50 -6.674 -3.553 3.413 1.00 0.00 C ATOM 755 CG LEU A 50 -5.405 -3.607 2.572 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.078 -5.040 2.200 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.542 -2.732 1.334 1.00 0.00 C ATOM 0 H LEU A 50 -5.033 -2.000 4.338 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.520 -1.611 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.545 -4.197 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.497 -3.966 2.830 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.578 -3.215 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.169 -5.062 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.928 -5.626 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.902 -5.464 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.625 -2.785 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.379 -3.083 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.720 -1.700 1.636 1.00 0.00 H new ATOM 769 N LYS A 51 -7.582 -2.575 6.206 1.00 0.00 N ATOM 770 CA LYS A 51 -8.436 -2.701 7.380 1.00 0.00 C ATOM 771 C LYS A 51 -9.181 -1.402 7.667 1.00 0.00 C ATOM 772 O LYS A 51 -10.273 -1.417 8.231 1.00 0.00 O ATOM 773 CB LYS A 51 -7.603 -3.121 8.591 1.00 0.00 C ATOM 774 CG LYS A 51 -7.195 -4.581 8.542 1.00 0.00 C ATOM 775 CD LYS A 51 -8.361 -5.452 8.113 1.00 0.00 C ATOM 776 CE LYS A 51 -7.912 -6.574 7.194 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.063 -7.351 6.662 1.00 0.00 N ATOM 0 H LYS A 51 -6.593 -2.750 6.385 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.181 -3.471 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.709 -2.500 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.174 -2.938 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.365 -4.708 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.840 -4.897 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.844 -5.874 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.105 -4.840 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.341 -6.157 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.243 -7.242 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.713 -8.204 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.687 -7.628 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.595 -6.765 5.987 1.00 0.00 H new ATOM 791 N GLU A 52 -8.595 -0.290 7.260 1.00 0.00 N ATOM 792 CA GLU A 52 -9.213 1.010 7.462 1.00 0.00 C ATOM 793 C GLU A 52 -10.239 1.298 6.371 1.00 0.00 C ATOM 794 O GLU A 52 -11.386 1.643 6.655 1.00 0.00 O ATOM 795 CB GLU A 52 -8.152 2.107 7.471 1.00 0.00 C ATOM 796 CG GLU A 52 -7.382 2.199 8.773 1.00 0.00 C ATOM 797 CD GLU A 52 -8.294 2.274 9.978 1.00 0.00 C ATOM 798 OE1 GLU A 52 -8.948 3.321 10.172 1.00 0.00 O ATOM 799 OE2 GLU A 52 -8.365 1.284 10.736 1.00 0.00 O ATOM 0 H GLU A 52 -7.692 -0.260 6.787 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.722 0.995 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.450 1.928 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.632 3.066 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.729 1.331 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.740 3.080 8.751 1.00 0.00 H new ATOM 806 N ILE A 53 -9.823 1.136 5.119 1.00 0.00 N ATOM 807 CA ILE A 53 -10.695 1.402 3.977 1.00 0.00 C ATOM 808 C ILE A 53 -11.835 0.390 3.880 1.00 0.00 C ATOM 809 O ILE A 53 -12.903 0.703 3.361 1.00 0.00 O ATOM 810 CB ILE A 53 -9.907 1.424 2.646 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.270 0.059 2.373 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.844 2.513 2.687 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.483 0.000 1.086 1.00 0.00 C ATOM 0 H ILE A 53 -8.886 0.821 4.868 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.123 2.390 4.146 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.600 1.642 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.611 -0.196 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.054 -0.698 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.295 2.521 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.321 3.482 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.154 2.317 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.062 -0.998 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.141 0.223 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.676 0.732 1.119 1.00 0.00 H new ATOM 825 N GLU A 54 -11.626 -0.810 4.412 1.00 0.00 N ATOM 826 CA GLU A 54 -12.644 -1.858 4.368 1.00 0.00 C ATOM 827 C GLU A 54 -13.900 -1.462 5.141 1.00 0.00 C ATOM 828 O GLU A 54 -14.957 -2.073 4.976 1.00 0.00 O ATOM 829 CB GLU A 54 -12.085 -3.176 4.911 1.00 0.00 C ATOM 830 CG GLU A 54 -11.627 -4.125 3.817 1.00 0.00 C ATOM 831 CD GLU A 54 -10.478 -5.015 4.244 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.476 -5.486 5.400 1.00 0.00 O ATOM 833 OE2 GLU A 54 -9.570 -5.250 3.417 1.00 0.00 O ATOM 0 H GLU A 54 -10.761 -1.083 4.879 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.924 -1.993 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.246 -2.962 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.849 -3.667 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.467 -4.748 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.325 -3.545 2.945 1.00 0.00 H new ATOM 840 N SER A 55 -13.789 -0.443 5.978 1.00 0.00 N ATOM 841 CA SER A 55 -14.924 0.021 6.758 1.00 0.00 C ATOM 842 C SER A 55 -15.781 1.010 5.964 1.00 0.00 C ATOM 843 O SER A 55 -16.925 1.281 6.333 1.00 0.00 O ATOM 844 CB SER A 55 -14.439 0.667 8.054 1.00 0.00 C ATOM 845 OG SER A 55 -13.582 -0.209 8.768 1.00 0.00 O ATOM 0 H SER A 55 -12.926 0.078 6.134 1.00 0.00 H new ATOM 0 HA SER A 55 -15.545 -0.843 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.911 1.593 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.295 0.931 8.675 1.00 0.00 H new ATOM 0 HG SER A 55 -13.283 0.227 9.593 1.00 0.00 H new ATOM 851 N GLU A 56 -15.239 1.534 4.868 1.00 0.00 N ATOM 852 CA GLU A 56 -15.967 2.498 4.046 1.00 0.00 C ATOM 853 C GLU A 56 -16.274 1.926 2.664 1.00 0.00 C ATOM 854 O GLU A 56 -17.291 2.264 2.057 1.00 0.00 O ATOM 855 CB GLU A 56 -15.166 3.796 3.916 1.00 0.00 C ATOM 856 CG GLU A 56 -13.815 3.610 3.254 1.00 0.00 C ATOM 857 CD GLU A 56 -12.864 4.753 3.530 1.00 0.00 C ATOM 858 OE1 GLU A 56 -12.664 5.099 4.716 1.00 0.00 O ATOM 859 OE2 GLU A 56 -12.316 5.315 2.563 1.00 0.00 O ATOM 0 H GLU A 56 -14.303 1.309 4.529 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.915 2.713 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.748 4.516 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.020 4.224 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.369 2.679 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.954 3.511 2.177 1.00 0.00 H new ATOM 866 N ILE A 57 -15.393 1.055 2.174 1.00 0.00 N ATOM 867 CA ILE A 57 -15.560 0.440 0.862 1.00 0.00 C ATOM 868 C ILE A 57 -16.826 -0.403 0.806 1.00 0.00 C ATOM 869 O ILE A 57 -16.970 -1.371 1.558 1.00 0.00 O ATOM 870 CB ILE A 57 -14.358 -0.460 0.492 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.066 0.357 0.386 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.623 -1.204 -0.804 1.00 0.00 C ATOM 873 CD1 ILE A 57 -13.189 1.598 -0.475 1.00 0.00 C ATOM 0 H ILE A 57 -14.553 0.759 2.671 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.629 1.259 0.147 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.231 -1.190 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.752 0.652 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.279 -0.278 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.765 -1.831 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.509 -1.829 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.786 -0.487 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.233 2.120 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.472 1.311 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.951 2.256 -0.058 1.00 0.00 H new ATOM 885 N ASP A 58 -17.743 -0.033 -0.076 1.00 0.00 N ATOM 886 CA ASP A 58 -18.985 -0.785 -0.235 1.00 0.00 C ATOM 887 C ASP A 58 -18.984 -1.548 -1.553 1.00 0.00 C ATOM 888 O ASP A 58 -19.795 -2.441 -1.770 1.00 0.00 O ATOM 889 CB ASP A 58 -20.204 0.137 -0.172 1.00 0.00 C ATOM 890 CG ASP A 58 -21.509 -0.628 -0.317 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.836 -1.431 0.585 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.211 -0.439 -1.334 1.00 0.00 O ATOM 0 H ASP A 58 -17.655 0.777 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.047 -1.495 0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.203 0.674 0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.133 0.885 -0.962 1.00 0.00 H new ATOM 897 N SER A 59 -18.059 -1.202 -2.429 1.00 0.00 N ATOM 898 CA SER A 59 -17.961 -1.851 -3.720 1.00 0.00 C ATOM 899 C SER A 59 -16.608 -2.538 -3.860 1.00 0.00 C ATOM 900 O SER A 59 -15.572 -1.928 -3.602 1.00 0.00 O ATOM 901 CB SER A 59 -18.154 -0.814 -4.824 1.00 0.00 C ATOM 902 OG SER A 59 -19.138 0.141 -4.453 1.00 0.00 O ATOM 0 H SER A 59 -17.364 -0.473 -2.268 1.00 0.00 H new ATOM 0 HA SER A 59 -18.739 -2.610 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.209 -0.310 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.453 -1.310 -5.747 1.00 0.00 H new ATOM 0 HG SER A 59 -19.245 0.797 -5.173 1.00 0.00 H new ATOM 908 N GLU A 60 -16.619 -3.803 -4.267 1.00 0.00 N ATOM 909 CA GLU A 60 -15.385 -4.565 -4.432 1.00 0.00 C ATOM 910 C GLU A 60 -14.425 -3.862 -5.375 1.00 0.00 C ATOM 911 O GLU A 60 -13.216 -3.897 -5.166 1.00 0.00 O ATOM 912 CB GLU A 60 -15.674 -5.968 -4.948 1.00 0.00 C ATOM 913 CG GLU A 60 -15.571 -7.026 -3.868 1.00 0.00 C ATOM 914 CD GLU A 60 -16.813 -7.097 -3.004 1.00 0.00 C ATOM 915 OE1 GLU A 60 -17.878 -7.493 -3.524 1.00 0.00 O ATOM 916 OE2 GLU A 60 -16.735 -6.747 -1.810 1.00 0.00 O ATOM 0 H GLU A 60 -17.468 -4.323 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.918 -4.639 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.675 -5.992 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.976 -6.206 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.399 -7.998 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.706 -6.815 -3.239 1.00 0.00 H new ATOM 923 N GLU A 61 -14.975 -3.220 -6.399 1.00 0.00 N ATOM 924 CA GLU A 61 -14.179 -2.487 -7.379 1.00 0.00 C ATOM 925 C GLU A 61 -13.255 -1.507 -6.673 1.00 0.00 C ATOM 926 O GLU A 61 -12.079 -1.380 -7.015 1.00 0.00 O ATOM 927 CB GLU A 61 -15.091 -1.726 -8.344 1.00 0.00 C ATOM 928 CG GLU A 61 -16.099 -2.608 -9.065 1.00 0.00 C ATOM 929 CD GLU A 61 -17.387 -2.772 -8.286 1.00 0.00 C ATOM 930 OE1 GLU A 61 -17.474 -3.700 -7.452 1.00 0.00 O ATOM 931 OE2 GLU A 61 -18.315 -1.965 -8.495 1.00 0.00 O ATOM 0 H GLU A 61 -15.980 -3.192 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.582 -3.203 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.628 -0.956 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.475 -1.215 -9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.321 -2.177 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.658 -3.589 -9.242 1.00 0.00 H new ATOM 938 N GLU A 62 -13.808 -0.832 -5.678 1.00 0.00 N ATOM 939 CA GLU A 62 -13.068 0.133 -4.880 1.00 0.00 C ATOM 940 C GLU A 62 -11.929 -0.546 -4.136 1.00 0.00 C ATOM 941 O GLU A 62 -10.771 -0.157 -4.263 1.00 0.00 O ATOM 942 CB GLU A 62 -13.997 0.787 -3.863 1.00 0.00 C ATOM 943 CG GLU A 62 -14.662 2.048 -4.365 1.00 0.00 C ATOM 944 CD GLU A 62 -13.877 3.298 -4.015 1.00 0.00 C ATOM 945 OE1 GLU A 62 -12.701 3.180 -3.612 1.00 0.00 O ATOM 946 OE2 GLU A 62 -14.434 4.409 -4.146 1.00 0.00 O ATOM 0 H GLU A 62 -14.784 -0.938 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.660 0.887 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.767 0.071 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.428 1.021 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.779 1.987 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.663 2.121 -3.940 1.00 0.00 H new ATOM 953 N LEU A 63 -12.280 -1.568 -3.363 1.00 0.00 N ATOM 954 CA LEU A 63 -11.308 -2.313 -2.569 1.00 0.00 C ATOM 955 C LEU A 63 -10.235 -2.943 -3.438 1.00 0.00 C ATOM 956 O LEU A 63 -9.045 -2.784 -3.170 1.00 0.00 O ATOM 957 CB LEU A 63 -12.005 -3.393 -1.744 1.00 0.00 C ATOM 958 CG LEU A 63 -11.226 -3.853 -0.515 1.00 0.00 C ATOM 959 CD1 LEU A 63 -11.186 -2.748 0.530 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.839 -5.115 0.063 1.00 0.00 C ATOM 0 H LEU A 63 -13.239 -1.902 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.825 -1.602 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.976 -3.017 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.193 -4.256 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.203 -4.079 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.627 -3.091 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.700 -1.868 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.203 -2.493 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.270 -5.428 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.871 -4.919 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.816 -5.906 -0.686 1.00 0.00 H new ATOM 972 N ILE A 64 -10.659 -3.670 -4.463 1.00 0.00 N ATOM 973 CA ILE A 64 -9.730 -4.317 -5.376 1.00 0.00 C ATOM 974 C ILE A 64 -8.786 -3.292 -6.000 1.00 0.00 C ATOM 975 O ILE A 64 -7.591 -3.546 -6.141 1.00 0.00 O ATOM 976 CB ILE A 64 -10.486 -5.111 -6.466 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.241 -6.265 -5.799 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.527 -5.636 -7.525 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.366 -6.842 -6.618 1.00 0.00 C ATOM 0 H ILE A 64 -11.643 -3.826 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.131 -5.026 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.193 -4.451 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.532 -7.061 -5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.645 -5.915 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.086 -6.190 -8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.013 -4.799 -7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.795 -6.295 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.841 -7.652 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.101 -6.064 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.971 -7.228 -7.558 1.00 0.00 H new ATOM 991 N ASN A 65 -9.315 -2.123 -6.331 1.00 0.00 N ATOM 992 CA ASN A 65 -8.500 -1.066 -6.918 1.00 0.00 C ATOM 993 C ASN A 65 -7.535 -0.490 -5.883 1.00 0.00 C ATOM 994 O ASN A 65 -6.339 -0.367 -6.142 1.00 0.00 O ATOM 995 CB ASN A 65 -9.370 0.058 -7.490 1.00 0.00 C ATOM 996 CG ASN A 65 -8.576 1.327 -7.724 1.00 0.00 C ATOM 997 OD1 ASN A 65 -7.917 1.484 -8.751 1.00 0.00 O ATOM 998 ND2 ASN A 65 -8.644 2.251 -6.778 1.00 0.00 N ATOM 0 H ASN A 65 -10.298 -1.882 -6.205 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.929 -1.511 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.814 -0.270 -8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.191 0.266 -6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.139 3.130 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.201 2.083 -5.940 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.065 -0.144 -4.709 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.262 0.424 -3.624 1.00 0.00 C ATOM 1007 C LYS A 66 -6.114 -0.510 -3.258 1.00 0.00 C ATOM 1008 O LYS A 66 -4.975 -0.074 -3.099 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.135 0.687 -2.394 1.00 0.00 C ATOM 1010 CG LYS A 66 -9.094 1.858 -2.554 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.458 3.176 -2.137 1.00 0.00 C ATOM 1012 CE LYS A 66 -9.309 4.366 -2.553 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.725 4.232 -2.116 1.00 0.00 N ATOM 0 H LYS A 66 -9.054 -0.248 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.845 1.370 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.710 -0.212 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.489 0.874 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.416 1.924 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.987 1.680 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.319 3.188 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.468 3.261 -2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.886 5.277 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.275 4.472 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.096 5.166 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.294 3.843 -2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.777 3.593 -1.297 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.426 -1.799 -3.144 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.426 -2.806 -2.808 1.00 0.00 C ATOM 1029 C LYS A 67 -4.396 -2.939 -3.926 1.00 0.00 C ATOM 1030 O LYS A 67 -3.223 -3.212 -3.676 1.00 0.00 O ATOM 1031 CB LYS A 67 -6.095 -4.156 -2.549 1.00 0.00 C ATOM 1032 CG LYS A 67 -6.925 -4.185 -1.278 1.00 0.00 C ATOM 1033 CD LYS A 67 -7.671 -5.498 -1.124 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.857 -5.869 0.338 1.00 0.00 C ATOM 1035 NZ LYS A 67 -8.572 -4.816 1.098 1.00 0.00 N ATOM 0 H LYS A 67 -7.366 -2.170 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.914 -2.486 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.734 -4.405 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.328 -4.928 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.276 -4.032 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.638 -3.361 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.645 -5.422 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.123 -6.290 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.413 -6.804 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.882 -6.044 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.572 -5.057 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.094 -3.903 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.553 -4.748 0.759 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.841 -2.741 -5.155 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.953 -2.829 -6.302 1.00 0.00 C ATOM 1051 C ARG A 68 -3.034 -1.618 -6.362 1.00 0.00 C ATOM 1052 O ARG A 68 -1.833 -1.755 -6.595 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.759 -2.932 -7.596 1.00 0.00 C ATOM 1054 CG ARG A 68 -5.066 -4.361 -8.005 1.00 0.00 C ATOM 1055 CD ARG A 68 -6.096 -4.404 -9.119 1.00 0.00 C ATOM 1056 NE ARG A 68 -6.206 -5.731 -9.716 1.00 0.00 N ATOM 1057 CZ ARG A 68 -7.193 -6.102 -10.527 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -8.168 -5.250 -10.826 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -7.195 -7.323 -11.047 1.00 0.00 N ATOM 0 H ARG A 68 -5.810 -2.519 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.345 -3.727 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.696 -2.388 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.207 -2.443 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.150 -4.853 -8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.435 -4.917 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.067 -4.103 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.826 -3.682 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.482 -6.416 -9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.161 -4.309 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.923 -5.537 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.441 -7.973 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.950 -7.611 -11.669 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.603 -0.436 -6.144 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.841 0.809 -6.179 1.00 0.00 C ATOM 1075 C ILE A 69 -1.791 0.845 -5.077 1.00 0.00 C ATOM 1076 O ILE A 69 -0.622 1.113 -5.345 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.752 2.053 -6.061 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.656 2.164 -7.294 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.912 3.317 -5.901 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.434 3.463 -7.367 1.00 0.00 C ATOM 0 H ILE A 69 -4.595 -0.314 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.345 0.838 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.379 1.943 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.045 2.067 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.358 1.330 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.569 4.183 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.303 3.238 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.263 3.435 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.050 3.468 -8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.073 3.554 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.739 4.302 -7.399 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.202 0.549 -3.848 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.281 0.566 -2.717 1.00 0.00 C ATOM 1094 C ILE A 70 -0.087 -0.369 -2.965 1.00 0.00 C ATOM 1095 O ILE A 70 1.057 -0.008 -2.691 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.998 0.211 -1.389 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -1.046 0.346 -0.201 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.590 -1.184 -1.438 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.579 1.763 0.035 1.00 0.00 C ATOM 0 H ILE A 70 -3.161 0.296 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.901 1.583 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.815 0.920 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.544 -0.019 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.178 -0.292 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.086 -1.402 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.315 -1.243 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.795 -1.911 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.093 1.786 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.053 2.125 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.440 2.402 0.231 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.359 -1.550 -3.517 1.00 0.00 N ATOM 1112 CA GLU A 71 0.689 -2.515 -3.820 1.00 0.00 C ATOM 1113 C GLU A 71 1.574 -1.989 -4.952 1.00 0.00 C ATOM 1114 O GLU A 71 2.805 -2.047 -4.879 1.00 0.00 O ATOM 1115 CB GLU A 71 0.069 -3.867 -4.205 1.00 0.00 C ATOM 1116 CG GLU A 71 1.091 -4.915 -4.624 1.00 0.00 C ATOM 1117 CD GLU A 71 0.795 -5.516 -5.985 1.00 0.00 C ATOM 1118 OE1 GLU A 71 0.938 -4.799 -6.997 1.00 0.00 O ATOM 1119 OE2 GLU A 71 0.428 -6.708 -6.054 1.00 0.00 O ATOM 0 H GLU A 71 -1.299 -1.859 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 71 1.306 -2.658 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.502 -4.248 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.636 -3.713 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.083 -4.462 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.115 -5.710 -3.879 1.00 0.00 H new ATOM 1126 N LYS A 72 0.930 -1.455 -5.987 1.00 0.00 N ATOM 1127 CA LYS A 72 1.633 -0.910 -7.146 1.00 0.00 C ATOM 1128 C LYS A 72 2.541 0.251 -6.756 1.00 0.00 C ATOM 1129 O LYS A 72 3.678 0.332 -7.217 1.00 0.00 O ATOM 1130 CB LYS A 72 0.638 -0.447 -8.211 1.00 0.00 C ATOM 1131 CG LYS A 72 0.153 -1.565 -9.115 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.738 -1.038 -10.227 1.00 0.00 C ATOM 1133 CE LYS A 72 -2.089 -0.586 -9.702 1.00 0.00 C ATOM 1134 NZ LYS A 72 -2.990 -0.144 -10.797 1.00 0.00 N ATOM 0 H LYS A 72 -0.086 -1.388 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 72 2.253 -1.709 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.221 0.010 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.105 0.326 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.010 -2.081 -9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.396 -2.299 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.244 -0.203 -10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.881 -1.816 -10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.558 -1.404 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.949 0.232 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.902 0.156 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.555 0.653 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.145 -0.932 -11.458 1.00 0.00 H new ATOM 1148 N VAL A 73 2.040 1.143 -5.909 1.00 0.00 N ATOM 1149 CA VAL A 73 2.818 2.297 -5.466 1.00 0.00 C ATOM 1150 C VAL A 73 4.080 1.842 -4.738 1.00 0.00 C ATOM 1151 O VAL A 73 5.168 2.365 -4.977 1.00 0.00 O ATOM 1152 CB VAL A 73 1.982 3.235 -4.565 1.00 0.00 C ATOM 1153 CG1 VAL A 73 2.852 4.300 -3.903 1.00 0.00 C ATOM 1154 CG2 VAL A 73 0.873 3.890 -5.377 1.00 0.00 C ATOM 0 H VAL A 73 1.101 1.091 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 73 3.107 2.861 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 73 1.539 2.630 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.230 4.941 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.611 3.818 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.337 4.903 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.291 4.548 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.311 4.471 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.223 3.120 -5.792 1.00 0.00 H new ATOM 1164 N ILE A 74 3.937 0.845 -3.874 1.00 0.00 N ATOM 1165 CA ILE A 74 5.078 0.311 -3.140 1.00 0.00 C ATOM 1166 C ILE A 74 6.090 -0.279 -4.120 1.00 0.00 C ATOM 1167 O ILE A 74 7.302 -0.104 -3.968 1.00 0.00 O ATOM 1168 CB ILE A 74 4.638 -0.757 -2.116 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.816 -0.105 -1.003 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.842 -1.483 -1.528 1.00 0.00 C ATOM 1171 CD1 ILE A 74 3.120 -1.097 -0.101 1.00 0.00 C ATOM 0 H ILE A 74 3.048 0.392 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 74 5.543 1.128 -2.587 1.00 0.00 H new ATOM 0 HB ILE A 74 4.021 -1.493 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.471 0.523 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.070 0.551 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.502 -2.229 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.396 -1.975 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.490 -0.765 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.557 -0.561 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.438 -1.709 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.862 -1.737 0.377 1.00 0.00 H new ATOM 1183 N HIS A 75 5.575 -0.964 -5.137 1.00 0.00 N ATOM 1184 CA HIS A 75 6.413 -1.563 -6.173 1.00 0.00 C ATOM 1185 C HIS A 75 7.108 -0.466 -6.979 1.00 0.00 C ATOM 1186 O HIS A 75 8.254 -0.615 -7.404 1.00 0.00 O ATOM 1187 CB HIS A 75 5.558 -2.452 -7.090 1.00 0.00 C ATOM 1188 CG HIS A 75 6.212 -2.820 -8.389 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.390 -3.531 -8.469 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.845 -2.563 -9.667 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.718 -3.699 -9.736 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.797 -3.123 -10.485 1.00 0.00 N ATOM 0 H HIS A 75 4.575 -1.119 -5.267 1.00 0.00 H new ATOM 0 HA HIS A 75 7.176 -2.184 -5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.304 -3.367 -6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.621 -1.937 -7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.968 -2.019 -9.984 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.592 -4.220 -10.098 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.792 -3.097 -11.505 1.00 0.00 H new ATOM 1201 N ARG A 76 6.401 0.633 -7.182 1.00 0.00 N ATOM 1202 CA ARG A 76 6.929 1.764 -7.926 1.00 0.00 C ATOM 1203 C ARG A 76 8.052 2.441 -7.147 1.00 0.00 C ATOM 1204 O ARG A 76 9.106 2.757 -7.698 1.00 0.00 O ATOM 1205 CB ARG A 76 5.806 2.762 -8.220 1.00 0.00 C ATOM 1206 CG ARG A 76 6.275 4.014 -8.936 1.00 0.00 C ATOM 1207 CD ARG A 76 5.324 5.177 -8.711 1.00 0.00 C ATOM 1208 NE ARG A 76 6.051 6.435 -8.577 1.00 0.00 N ATOM 1209 CZ ARG A 76 5.797 7.537 -9.283 1.00 0.00 C ATOM 1210 NH1 ARG A 76 4.803 7.563 -10.161 1.00 0.00 N ATOM 1211 NH2 ARG A 76 6.547 8.617 -9.108 1.00 0.00 N ATOM 0 H ARG A 76 5.450 0.766 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 76 7.339 1.403 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.045 2.271 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.331 3.047 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.270 4.284 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.359 3.813 -10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.625 5.245 -9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.733 4.998 -7.813 1.00 0.00 H new ATOM 0 HE ARG A 76 6.808 6.474 -7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.224 6.735 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.617 8.411 -10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.314 8.602 -8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.357 9.463 -9.646 1.00 0.00 H new ATOM 1225 N LEU A 77 7.827 2.635 -5.858 1.00 0.00 N ATOM 1226 CA LEU A 77 8.802 3.277 -4.990 1.00 0.00 C ATOM 1227 C LEU A 77 10.077 2.438 -4.840 1.00 0.00 C ATOM 1228 O LEU A 77 11.176 2.983 -4.726 1.00 0.00 O ATOM 1229 CB LEU A 77 8.158 3.558 -3.623 1.00 0.00 C ATOM 1230 CG LEU A 77 8.810 2.887 -2.411 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.825 3.815 -1.770 1.00 0.00 C ATOM 1232 CD2 LEU A 77 7.752 2.478 -1.399 1.00 0.00 C ATOM 0 H LEU A 77 6.968 2.354 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 77 9.104 4.220 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.161 4.636 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.115 3.245 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 77 9.330 1.991 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.278 3.321 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.600 4.064 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.328 4.728 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.231 2.002 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.207 3.361 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.058 1.777 -1.862 1.00 0.00 H new ATOM 1244 N THR A 78 9.935 1.117 -4.879 1.00 0.00 N ATOM 1245 CA THR A 78 11.079 0.224 -4.722 1.00 0.00 C ATOM 1246 C THR A 78 11.799 -0.045 -6.046 1.00 0.00 C ATOM 1247 O THR A 78 12.810 -0.750 -6.076 1.00 0.00 O ATOM 1248 CB THR A 78 10.650 -1.122 -4.106 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.408 -1.555 -4.677 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.503 -1.006 -2.597 1.00 0.00 C ATOM 0 H THR A 78 9.043 0.642 -5.017 1.00 0.00 H new ATOM 0 HA THR A 78 11.771 0.735 -4.053 1.00 0.00 H new ATOM 0 HB THR A 78 11.425 -1.856 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.663 -1.190 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.200 -1.969 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.457 -0.709 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.747 -0.257 -2.362 1.00 0.00 H new ATOM 1258 N HIS A 79 11.296 0.521 -7.137 1.00 0.00 N ATOM 1259 CA HIS A 79 11.912 0.295 -8.439 1.00 0.00 C ATOM 1260 C HIS A 79 12.049 1.589 -9.238 1.00 0.00 C ATOM 1261 O HIS A 79 13.150 2.114 -9.399 1.00 0.00 O ATOM 1262 CB HIS A 79 11.095 -0.727 -9.238 1.00 0.00 C ATOM 1263 CG HIS A 79 11.897 -1.492 -10.249 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.391 -0.932 -11.408 1.00 0.00 N ATOM 1265 CD2 HIS A 79 12.277 -2.791 -10.273 1.00 0.00 C ATOM 1266 CE1 HIS A 79 13.040 -1.850 -12.095 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.984 -2.988 -11.431 1.00 0.00 N ATOM 0 H HIS A 79 10.478 1.130 -7.148 1.00 0.00 H new ATOM 0 HA HIS A 79 12.915 -0.094 -8.264 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.636 -1.432 -8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.284 -0.209 -9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.063 -3.534 -9.519 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.535 -1.696 -13.043 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.399 -3.871 -11.730 1.00 0.00 H new ATOM 1276 N TYR A 80 10.922 2.100 -9.721 1.00 0.00 N ATOM 1277 CA TYR A 80 10.903 3.314 -10.534 1.00 0.00 C ATOM 1278 C TYR A 80 11.443 4.516 -9.768 1.00 0.00 C ATOM 1279 O TYR A 80 12.402 5.153 -10.207 1.00 0.00 O ATOM 1280 CB TYR A 80 9.483 3.597 -11.031 1.00 0.00 C ATOM 1281 CG TYR A 80 8.846 2.422 -11.738 1.00 0.00 C ATOM 1282 CD1 TYR A 80 9.159 2.127 -13.058 1.00 0.00 C ATOM 1283 CD2 TYR A 80 7.936 1.606 -11.082 1.00 0.00 C ATOM 1284 CE1 TYR A 80 8.580 1.052 -13.705 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.353 0.532 -11.719 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.677 0.258 -13.029 1.00 0.00 C ATOM 1287 OH TYR A 80 7.095 -0.815 -13.662 1.00 0.00 O ATOM 0 H TYR A 80 10.002 1.690 -9.563 1.00 0.00 H new ATOM 0 HA TYR A 80 11.556 3.148 -11.390 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.860 3.882 -10.183 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.507 4.450 -11.710 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.866 2.748 -13.588 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.680 1.816 -10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.833 0.835 -14.732 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.645 -0.092 -11.193 1.00 0.00 H new ATOM 0 HH TYR A 80 6.485 -1.268 -13.043 1.00 0.00 H new ATOM 1297 N ASP A 81 10.832 4.824 -8.632 1.00 0.00 N ATOM 1298 CA ASP A 81 11.271 5.955 -7.819 1.00 0.00 C ATOM 1299 C ASP A 81 12.646 5.678 -7.241 1.00 0.00 C ATOM 1300 O ASP A 81 13.535 6.527 -7.293 1.00 0.00 O ATOM 1301 CB ASP A 81 10.293 6.235 -6.678 1.00 0.00 C ATOM 1302 CG ASP A 81 8.962 6.770 -7.157 1.00 0.00 C ATOM 1303 OD1 ASP A 81 8.941 7.766 -7.908 1.00 0.00 O ATOM 1304 OD2 ASP A 81 7.928 6.196 -6.776 1.00 0.00 O ATOM 0 H ASP A 81 10.036 4.312 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 81 11.310 6.832 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.128 5.316 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.741 6.953 -5.991 1.00 0.00 H new ATOM 1309 N HIS A 82 12.799 4.476 -6.687 1.00 0.00 N ATOM 1310 CA HIS A 82 14.056 4.037 -6.092 1.00 0.00 C ATOM 1311 C HIS A 82 14.399 4.895 -4.876 1.00 0.00 C ATOM 1312 O HIS A 82 15.568 5.144 -4.585 1.00 0.00 O ATOM 1313 CB HIS A 82 15.186 4.087 -7.127 1.00 0.00 C ATOM 1314 CG HIS A 82 16.244 3.043 -6.929 1.00 0.00 C ATOM 1315 ND1 HIS A 82 17.587 3.305 -7.064 1.00 0.00 N ATOM 1316 CD2 HIS A 82 16.148 1.732 -6.603 1.00 0.00 C ATOM 1317 CE1 HIS A 82 18.274 2.199 -6.840 1.00 0.00 C ATOM 1318 NE2 HIS A 82 17.424 1.231 -6.556 1.00 0.00 N ATOM 0 H HIS A 82 12.054 3.781 -6.639 1.00 0.00 H new ATOM 0 HA HIS A 82 13.941 3.005 -5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.758 3.971 -8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.652 5.072 -7.093 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.237 1.183 -6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.349 2.104 -6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.675 0.267 -6.337 1.00 0.00 H new ATOM 1327 N VAL A 83 13.370 5.340 -4.167 1.00 0.00 N ATOM 1328 CA VAL A 83 13.562 6.163 -2.976 1.00 0.00 C ATOM 1329 C VAL A 83 13.518 5.299 -1.724 1.00 0.00 C ATOM 1330 O VAL A 83 13.472 5.803 -0.602 1.00 0.00 O ATOM 1331 CB VAL A 83 12.506 7.283 -2.859 1.00 0.00 C ATOM 1332 CG1 VAL A 83 12.757 8.373 -3.884 1.00 0.00 C ATOM 1333 CG2 VAL A 83 11.101 6.721 -3.007 1.00 0.00 C ATOM 0 H VAL A 83 12.395 5.146 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 83 14.541 6.633 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 83 12.593 7.724 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.000 9.150 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.745 8.805 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.707 7.948 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.375 7.529 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.000 6.245 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.919 5.985 -2.224 1.00 0.00 H new ATOM 1343 N LEU A 84 13.535 3.994 -1.930 1.00 0.00 N ATOM 1344 CA LEU A 84 13.502 3.044 -0.836 1.00 0.00 C ATOM 1345 C LEU A 84 14.927 2.703 -0.417 1.00 0.00 C ATOM 1346 O LEU A 84 15.778 2.400 -1.259 1.00 0.00 O ATOM 1347 CB LEU A 84 12.748 1.776 -1.274 1.00 0.00 C ATOM 1348 CG LEU A 84 12.136 0.918 -0.155 1.00 0.00 C ATOM 1349 CD1 LEU A 84 13.211 0.171 0.611 1.00 0.00 C ATOM 1350 CD2 LEU A 84 11.304 1.771 0.786 1.00 0.00 C ATOM 0 H LEU A 84 13.572 3.566 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 84 12.981 3.481 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.948 2.073 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.435 1.151 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 84 11.480 0.182 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.749 -0.427 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.756 -0.483 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.902 0.885 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.881 1.142 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 84 11.935 2.537 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.498 2.247 0.228 1.00 0.00 H new ATOM 1362 N ILE A 85 15.187 2.778 0.874 1.00 0.00 N ATOM 1363 CA ILE A 85 16.497 2.474 1.416 1.00 0.00 C ATOM 1364 C ILE A 85 16.517 1.047 1.949 1.00 0.00 C ATOM 1365 O ILE A 85 15.721 0.688 2.816 1.00 0.00 O ATOM 1366 CB ILE A 85 16.874 3.446 2.554 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.595 4.893 2.136 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.338 3.270 2.937 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.443 5.842 3.306 1.00 0.00 C ATOM 0 H ILE A 85 14.498 3.051 1.575 1.00 0.00 H new ATOM 0 HA ILE A 85 17.225 2.584 0.612 1.00 0.00 H new ATOM 0 HB ILE A 85 16.260 3.217 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.408 5.242 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.685 4.920 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.590 3.962 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.506 2.247 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.968 3.475 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.247 6.848 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.612 5.518 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.361 5.844 3.894 1.00 0.00 H new ATOM 1381 N GLU A 86 17.397 0.228 1.402 1.00 0.00 N ATOM 1382 CA GLU A 86 17.519 -1.155 1.832 1.00 0.00 C ATOM 1383 C GLU A 86 18.970 -1.604 1.741 1.00 0.00 C ATOM 1384 O GLU A 86 19.693 -1.217 0.820 1.00 0.00 O ATOM 1385 CB GLU A 86 16.621 -2.067 0.990 1.00 0.00 C ATOM 1386 CG GLU A 86 16.706 -1.813 -0.506 1.00 0.00 C ATOM 1387 CD GLU A 86 15.784 -2.719 -1.296 1.00 0.00 C ATOM 1388 OE1 GLU A 86 16.024 -3.944 -1.315 1.00 0.00 O ATOM 1389 OE2 GLU A 86 14.815 -2.214 -1.901 1.00 0.00 O ATOM 0 H GLU A 86 18.040 0.497 0.657 1.00 0.00 H new ATOM 0 HA GLU A 86 17.194 -1.225 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.889 -3.105 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.587 -1.938 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.453 -0.773 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.733 -1.963 -0.840 1.00 0.00 H new ATOM 1672 N TYR A 107 16.046 -3.647 6.461 1.00 0.00 N ATOM 1673 CA TYR A 107 14.812 -4.044 5.810 1.00 0.00 C ATOM 1674 C TYR A 107 14.383 -3.001 4.785 1.00 0.00 C ATOM 1675 O TYR A 107 15.142 -2.686 3.868 1.00 0.00 O ATOM 1676 CB TYR A 107 13.717 -4.288 6.845 1.00 0.00 C ATOM 1677 CG TYR A 107 13.834 -5.623 7.541 1.00 0.00 C ATOM 1678 CD1 TYR A 107 13.317 -6.772 6.959 1.00 0.00 C ATOM 1679 CD2 TYR A 107 14.457 -5.737 8.779 1.00 0.00 C ATOM 1680 CE1 TYR A 107 13.416 -7.995 7.587 1.00 0.00 C ATOM 1681 CE2 TYR A 107 14.558 -6.959 9.415 1.00 0.00 C ATOM 1682 CZ TYR A 107 14.037 -8.085 8.812 1.00 0.00 C ATOM 1683 OH TYR A 107 14.129 -9.305 9.442 1.00 0.00 O ATOM 0 HA TYR A 107 14.986 -4.979 5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 107 13.750 -3.494 7.591 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.745 -4.226 6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 107 12.829 -6.707 5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 107 14.868 -4.857 9.250 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.008 -8.879 7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 107 15.042 -7.032 10.378 1.00 0.00 H new ATOM 0 HH TYR A 107 14.596 -9.197 10.297 1.00 0.00 H new ATOM 1693 N LEU A 108 13.184 -2.459 4.945 1.00 0.00 N ATOM 1694 CA LEU A 108 12.677 -1.459 4.019 1.00 0.00 C ATOM 1695 C LEU A 108 12.379 -0.154 4.735 1.00 0.00 C ATOM 1696 O LEU A 108 11.586 -0.121 5.676 1.00 0.00 O ATOM 1697 CB LEU A 108 11.396 -1.946 3.327 1.00 0.00 C ATOM 1698 CG LEU A 108 11.549 -3.123 2.360 1.00 0.00 C ATOM 1699 CD1 LEU A 108 12.879 -3.071 1.630 1.00 0.00 C ATOM 1700 CD2 LEU A 108 11.390 -4.444 3.097 1.00 0.00 C ATOM 0 H LEU A 108 12.546 -2.695 5.705 1.00 0.00 H new ATOM 0 HA LEU A 108 13.453 -1.294 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.678 -2.228 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.964 -1.108 2.780 1.00 0.00 H new ATOM 0 HG LEU A 108 10.759 -3.046 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.955 -3.921 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.945 -2.144 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.693 -3.110 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.502 -5.269 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.152 -4.522 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.402 -4.489 3.554 1.00 0.00 H new ATOM 1712 N VAL A 109 13.007 0.914 4.287 1.00 0.00 N ATOM 1713 CA VAL A 109 12.782 2.228 4.867 1.00 0.00 C ATOM 1714 C VAL A 109 12.681 3.265 3.752 1.00 0.00 C ATOM 1715 O VAL A 109 13.433 3.217 2.783 1.00 0.00 O ATOM 1716 CB VAL A 109 13.885 2.616 5.895 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.260 2.162 5.438 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.888 4.114 6.166 1.00 0.00 C ATOM 0 H VAL A 109 13.680 0.900 3.521 1.00 0.00 H new ATOM 0 HA VAL A 109 11.843 2.199 5.420 1.00 0.00 H new ATOM 0 HB VAL A 109 13.649 2.099 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.004 2.450 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.265 1.078 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.499 2.631 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.670 4.352 6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.077 4.651 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.920 4.413 6.568 1.00 0.00 H new ATOM 1728 N VAL A 110 11.745 4.191 3.878 1.00 0.00 N ATOM 1729 CA VAL A 110 11.541 5.216 2.859 1.00 0.00 C ATOM 1730 C VAL A 110 11.588 6.609 3.478 1.00 0.00 C ATOM 1731 O VAL A 110 11.379 6.764 4.680 1.00 0.00 O ATOM 1732 CB VAL A 110 10.185 5.009 2.138 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.022 5.178 3.102 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.038 5.949 0.948 1.00 0.00 C ATOM 0 H VAL A 110 11.112 4.257 4.675 1.00 0.00 H new ATOM 0 HA VAL A 110 12.346 5.127 2.129 1.00 0.00 H new ATOM 0 HB VAL A 110 10.169 3.987 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.083 5.027 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.105 4.445 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.042 6.183 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.076 5.777 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.092 6.982 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.841 5.761 0.235 1.00 0.00 H new ATOM 1744 N ASN A 111 11.885 7.612 2.662 1.00 0.00 N ATOM 1745 CA ASN A 111 11.940 8.983 3.145 1.00 0.00 C ATOM 1746 C ASN A 111 10.613 9.691 2.875 1.00 0.00 C ATOM 1747 O ASN A 111 10.028 9.543 1.803 1.00 0.00 O ATOM 1748 CB ASN A 111 13.105 9.759 2.509 1.00 0.00 C ATOM 1749 CG ASN A 111 12.983 9.943 1.005 1.00 0.00 C ATOM 1750 OD1 ASN A 111 12.486 9.074 0.290 1.00 0.00 O ATOM 1751 ND2 ASN A 111 13.453 11.080 0.515 1.00 0.00 N ATOM 0 H ASN A 111 12.090 7.502 1.669 1.00 0.00 H new ATOM 0 HA ASN A 111 12.113 8.953 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.173 10.740 2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.036 9.236 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 111 13.410 11.259 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.858 11.776 1.141 1.00 0.00 H new ATOM 1758 N PRO A 112 10.119 10.465 3.853 1.00 0.00 N ATOM 1759 CA PRO A 112 8.849 11.200 3.741 1.00 0.00 C ATOM 1760 C PRO A 112 8.898 12.328 2.711 1.00 0.00 C ATOM 1761 O PRO A 112 7.896 13.005 2.472 1.00 0.00 O ATOM 1762 CB PRO A 112 8.632 11.780 5.147 1.00 0.00 C ATOM 1763 CG PRO A 112 9.575 11.038 6.032 1.00 0.00 C ATOM 1764 CD PRO A 112 10.745 10.671 5.168 1.00 0.00 C ATOM 0 HA PRO A 112 8.047 10.544 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 112 8.836 12.851 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.600 11.646 5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.889 11.656 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.102 10.148 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 112 11.494 11.463 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.246 9.771 5.524 1.00 0.00 H new ATOM 1772 N ASN A 113 10.060 12.529 2.102 1.00 0.00 N ATOM 1773 CA ASN A 113 10.217 13.574 1.102 1.00 0.00 C ATOM 1774 C ASN A 113 9.669 13.122 -0.244 1.00 0.00 C ATOM 1775 O ASN A 113 8.930 13.859 -0.895 1.00 0.00 O ATOM 1776 CB ASN A 113 11.684 13.982 0.954 1.00 0.00 C ATOM 1777 CG ASN A 113 12.061 15.144 1.853 1.00 0.00 C ATOM 1778 OD1 ASN A 113 11.205 15.884 2.331 1.00 0.00 O ATOM 1779 ND2 ASN A 113 13.353 15.318 2.078 1.00 0.00 N ATOM 0 H ASN A 113 10.903 11.984 2.283 1.00 0.00 H new ATOM 0 HA ASN A 113 9.649 14.440 1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.320 13.127 1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.879 14.252 -0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.669 16.089 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.033 14.681 1.663 1.00 0.00 H new ATOM 1786 N TYR A 114 10.034 11.903 -0.652 1.00 0.00 N ATOM 1787 CA TYR A 114 9.588 11.343 -1.928 1.00 0.00 C ATOM 1788 C TYR A 114 9.925 12.308 -3.070 1.00 0.00 C ATOM 1789 O TYR A 114 10.905 13.048 -2.986 1.00 0.00 O ATOM 1790 CB TYR A 114 8.082 11.048 -1.876 1.00 0.00 C ATOM 1791 CG TYR A 114 7.677 9.768 -2.587 1.00 0.00 C ATOM 1792 CD1 TYR A 114 7.871 8.524 -1.992 1.00 0.00 C ATOM 1793 CD2 TYR A 114 7.095 9.803 -3.847 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.499 7.359 -2.637 1.00 0.00 C ATOM 1795 CE2 TYR A 114 6.721 8.640 -4.496 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.925 7.422 -3.886 1.00 0.00 C ATOM 1797 OH TYR A 114 6.551 6.265 -4.529 1.00 0.00 O ATOM 0 H TYR A 114 10.640 11.284 -0.113 1.00 0.00 H new ATOM 0 HA TYR A 114 10.110 10.404 -2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 114 7.770 10.986 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.543 11.884 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 114 8.319 8.468 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.931 10.755 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.658 6.402 -2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 114 6.271 8.687 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 114 7.263 5.987 -5.142 1.00 0.00 H new ATOM 1807 N LEU A 115 9.127 12.301 -4.133 1.00 0.00 N ATOM 1808 CA LEU A 115 9.366 13.194 -5.264 1.00 0.00 C ATOM 1809 C LEU A 115 8.055 13.776 -5.795 1.00 0.00 C ATOM 1810 O LEU A 115 7.988 14.256 -6.924 1.00 0.00 O ATOM 1811 CB LEU A 115 10.154 12.498 -6.404 1.00 0.00 C ATOM 1812 CG LEU A 115 9.774 11.048 -6.788 1.00 0.00 C ATOM 1813 CD1 LEU A 115 10.306 10.046 -5.773 1.00 0.00 C ATOM 1814 CD2 LEU A 115 8.268 10.881 -6.973 1.00 0.00 C ATOM 0 H LEU A 115 8.315 11.692 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 115 9.983 14.012 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.056 13.114 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.208 12.502 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 115 10.248 10.843 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.021 9.038 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.393 10.117 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.886 10.265 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.047 9.848 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.757 11.131 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.923 11.544 -7.766 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.286 -9.026 -1.840 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.485 -9.046 -2.671 1.00 0.00 C ATOM 2022 C LEU B 390 -7.208 -10.384 -2.540 1.00 0.00 C ATOM 2023 O LEU B 390 -8.412 -10.477 -2.788 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.114 -8.792 -4.136 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.181 -8.070 -4.966 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.330 -6.623 -4.514 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -6.837 -8.132 -6.448 1.00 0.00 C ATOM 0 HA LEU B 390 -7.154 -8.256 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.196 -8.205 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -5.895 -9.749 -4.609 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.134 -8.576 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.093 -6.130 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.625 -6.598 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.379 -6.104 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -7.606 -7.614 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -5.873 -7.653 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -6.786 -9.173 -6.766 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.469 -11.418 -2.142 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.039 -12.751 -1.967 1.00 0.00 C ATOM 2041 C GLU B 391 -8.062 -12.762 -0.837 1.00 0.00 C ATOM 2042 O GLU B 391 -9.007 -13.547 -0.846 1.00 0.00 O ATOM 2043 CB GLU B 391 -5.945 -13.773 -1.666 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.100 -14.150 -2.868 1.00 0.00 C ATOM 2045 CD GLU B 391 -4.200 -15.329 -2.574 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.679 -16.478 -2.672 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -3.020 -15.114 -2.225 1.00 0.00 O ATOM 0 H GLU B 391 -5.472 -11.357 -1.934 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.535 -13.020 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.294 -13.373 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.406 -14.675 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -5.751 -14.390 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -4.493 -13.296 -3.168 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.862 -11.883 0.133 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.759 -11.777 1.275 1.00 0.00 C ATOM 2056 C ARG B 392 -10.176 -11.430 0.823 1.00 0.00 C ATOM 2057 O ARG B 392 -11.164 -11.815 1.450 1.00 0.00 O ATOM 2058 CB ARG B 392 -8.249 -10.707 2.239 1.00 0.00 C ATOM 2059 CG ARG B 392 -9.084 -10.592 3.498 1.00 0.00 C ATOM 2060 CD ARG B 392 -8.885 -11.797 4.403 1.00 0.00 C ATOM 2061 NE ARG B 392 -7.502 -11.910 4.866 1.00 0.00 N ATOM 2062 CZ ARG B 392 -6.743 -12.990 4.693 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -7.225 -14.050 4.055 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -5.501 -13.009 5.157 1.00 0.00 N ATOM 0 H ARG B 392 -7.080 -11.228 0.152 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.784 -12.742 1.782 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.219 -10.935 2.513 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.237 -9.744 1.729 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -8.814 -9.683 4.035 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -10.137 -10.504 3.232 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -9.550 -11.719 5.263 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -9.163 -12.704 3.866 1.00 0.00 H new ATOM 0 HE ARG B 392 -7.094 -11.111 5.352 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -8.180 -14.038 3.696 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -6.641 -14.876 3.924 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -5.127 -12.196 5.647 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -4.920 -13.837 5.024 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.253 -10.717 -0.287 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.521 -10.289 -0.855 1.00 0.00 C ATOM 2080 C ILE B 393 -12.398 -11.480 -1.248 1.00 0.00 C ATOM 2081 O ILE B 393 -13.621 -11.370 -1.287 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.278 -9.369 -2.070 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.516 -8.122 -1.612 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.585 -8.977 -2.745 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -10.250 -7.128 -2.717 1.00 0.00 C ATOM 0 H ILE B 393 -9.437 -10.418 -0.821 1.00 0.00 H new ATOM 0 HA ILE B 393 -12.057 -9.730 -0.088 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.685 -9.913 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -11.085 -7.630 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -9.565 -8.429 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -12.375 -8.329 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -13.100 -9.874 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.218 -8.447 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.707 -6.273 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.654 -7.602 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -11.197 -6.791 -3.139 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.773 -12.627 -1.504 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.512 -13.831 -1.876 1.00 0.00 C ATOM 2099 C ARG B 394 -13.500 -14.210 -0.777 1.00 0.00 C ATOM 2100 O ARG B 394 -14.609 -14.668 -1.053 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.556 -14.996 -2.137 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.685 -14.809 -3.368 1.00 0.00 C ATOM 2103 CD ARG B 394 -9.764 -16.002 -3.587 1.00 0.00 C ATOM 2104 NE ARG B 394 -10.513 -17.247 -3.780 1.00 0.00 N ATOM 2105 CZ ARG B 394 -9.963 -18.403 -4.158 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -8.662 -18.476 -4.410 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -10.718 -19.490 -4.282 1.00 0.00 N ATOM 0 H ARG B 394 -10.761 -12.748 -1.461 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.063 -13.619 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -10.914 -15.130 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -12.136 -15.912 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -11.318 -14.671 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -10.089 -13.903 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -9.135 -15.819 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -9.099 -16.108 -2.730 1.00 0.00 H new ATOM 0 HE ARG B 394 -11.519 -17.229 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -8.077 -17.646 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -8.247 -19.362 -4.698 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -11.718 -19.441 -4.088 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -10.297 -20.373 -4.571 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.096 -14.001 0.469 1.00 0.00 N ATOM 2122 CA ALA B 395 -13.946 -14.310 1.611 1.00 0.00 C ATOM 2123 C ALA B 395 -14.752 -13.079 2.017 1.00 0.00 C ATOM 2124 O ALA B 395 -15.707 -13.169 2.786 1.00 0.00 O ATOM 2125 CB ALA B 395 -13.110 -14.812 2.780 1.00 0.00 C ATOM 0 H ALA B 395 -12.183 -13.618 0.715 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.640 -15.100 1.324 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.762 -15.038 3.624 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.575 -15.714 2.484 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -12.393 -14.044 3.071 1.00 0.00 H new ATOM 2131 N LYS B 396 -14.363 -11.929 1.480 1.00 0.00 N ATOM 2132 CA LYS B 396 -15.036 -10.667 1.771 1.00 0.00 C ATOM 2133 C LYS B 396 -16.358 -10.566 1.008 1.00 0.00 C ATOM 2134 O LYS B 396 -17.223 -9.755 1.344 1.00 0.00 O ATOM 2135 CB LYS B 396 -14.126 -9.494 1.400 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.694 -8.135 1.770 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.512 -7.125 0.650 1.00 0.00 C ATOM 2138 CE LYS B 396 -15.337 -5.874 0.905 1.00 0.00 C ATOM 2139 NZ LYS B 396 -16.790 -6.124 0.719 1.00 0.00 N ATOM 0 H LYS B 396 -13.578 -11.844 0.835 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.253 -10.631 2.838 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -13.164 -9.622 1.896 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.937 -9.518 0.327 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.755 -8.235 2.001 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -14.204 -7.770 2.673 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.459 -6.859 0.563 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.807 -7.572 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -15.156 -5.520 1.920 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -15.015 -5.082 0.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -17.297 -5.216 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -16.942 -6.641 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -17.149 -6.690 1.514 1.00 0.00 H new