USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 HIS : no HD1:sc= 0.316 K(o=0.61,f=-2.7) USER MOD Set 1.2: A 124 LYS NZ :NH3+ -165:sc= 0.295 (180deg=-0.174) USER MOD Set 2.1: A 62 HIS : no HE2:sc= -0.195 K(o=-0.2,f=-3.2!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= -0.0182 (180deg=-0.737) USER MOD Single : A 14 GLN : amide:sc=-0.00381 X(o=-0.0038,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 87:sc= 0.0883 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.83! C(o=-2.8!,f=-10!) USER MOD Single : A 31 SER OG : rot -91:sc= 1.17 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -176:sc= -0.0449 (180deg=-0.0939) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -114:sc= 0.0598 USER MOD Single : A 42 SER OG : rot 84:sc= -0.0637 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 44 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-1.4) USER MOD Single : A 45 GLN : amide:sc= -0.928 K(o=-0.93,f=-3.9!) USER MOD Single : A 47 TYR OH : rot 150:sc= 0 USER MOD Single : A 54 SER OG : rot 27:sc= 0.0788 USER MOD Single : A 55 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.23) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -9.08! C(o=-9.1!,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot 36:sc= 0.472 USER MOD Single : A 83 THR OG1 : rot -43:sc= 1.1 USER MOD Single : A 85 MET CE :methyl -149:sc= -0.312 (180deg=-1.48) USER MOD Single : A 88 GLN : amide:sc= -1.97 K(o=-2,f=-6.1!) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot -1:sc= 0.358 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= 0.0958 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 122 MET CE :methyl -168:sc= -1.25 (180deg=-1.59) USER MOD Single : A 127 LYS NZ :NH3+ 160:sc= -0.0146 (180deg=-0.296) USER MOD Single : A 130 TYR OH : rot 165:sc= -0.748 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.448 -9.604 3.305 1.00 0.00 N ATOM 145 CA LYS A 13 -6.358 -10.550 3.511 1.00 0.00 C ATOM 146 C LYS A 13 -5.005 -9.872 3.324 1.00 0.00 C ATOM 147 O LYS A 13 -4.082 -10.083 4.110 1.00 0.00 O ATOM 148 CB LYS A 13 -6.488 -11.728 2.542 1.00 0.00 C ATOM 149 CG LYS A 13 -7.324 -12.873 3.086 1.00 0.00 C ATOM 150 CD LYS A 13 -7.207 -14.112 2.213 1.00 0.00 C ATOM 151 CE LYS A 13 -6.068 -15.010 2.670 1.00 0.00 C ATOM 152 NZ LYS A 13 -4.787 -14.668 1.993 1.00 0.00 N ATOM 0 HA LYS A 13 -6.420 -10.920 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.932 -11.375 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.492 -12.099 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.003 -13.110 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.368 -12.566 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.144 -14.668 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.044 -13.814 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.944 -14.919 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.321 -16.050 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.167 -15.503 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.980 -14.366 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.318 -13.896 2.508 1.00 0.00 H new ATOM 166 N GLN A 14 -4.896 -9.056 2.280 1.00 0.00 N ATOM 167 CA GLN A 14 -3.656 -8.346 1.992 1.00 0.00 C ATOM 168 C GLN A 14 -3.307 -7.380 3.119 1.00 0.00 C ATOM 169 O GLN A 14 -2.136 -7.203 3.460 1.00 0.00 O ATOM 170 CB GLN A 14 -3.774 -7.585 0.671 1.00 0.00 C ATOM 171 CG GLN A 14 -3.962 -8.489 -0.537 1.00 0.00 C ATOM 172 CD GLN A 14 -4.681 -7.796 -1.678 1.00 0.00 C ATOM 173 OE1 GLN A 14 -5.666 -8.309 -2.210 1.00 0.00 O ATOM 174 NE2 GLN A 14 -4.190 -6.623 -2.062 1.00 0.00 N ATOM 0 H GLN A 14 -5.651 -8.871 1.620 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.857 -9.082 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.616 -6.895 0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.877 -6.982 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.988 -8.834 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.527 -9.373 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.372 -6.235 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.631 -6.111 -2.826 1.00 0.00 H new ATOM 183 N LEU A 15 -4.329 -6.757 3.695 1.00 0.00 N ATOM 184 CA LEU A 15 -4.130 -5.807 4.785 1.00 0.00 C ATOM 185 C LEU A 15 -3.272 -6.417 5.888 1.00 0.00 C ATOM 186 O LEU A 15 -2.121 -6.024 6.083 1.00 0.00 O ATOM 187 CB LEU A 15 -5.479 -5.368 5.356 1.00 0.00 C ATOM 188 CG LEU A 15 -6.443 -4.706 4.370 1.00 0.00 C ATOM 189 CD1 LEU A 15 -7.706 -4.248 5.083 1.00 0.00 C ATOM 190 CD2 LEU A 15 -5.768 -3.534 3.672 1.00 0.00 C ATOM 0 H LEU A 15 -5.304 -6.892 3.426 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.610 -4.936 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.971 -6.241 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.295 -4.673 6.175 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.723 -5.441 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.379 -3.780 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.200 -5.107 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.445 -3.528 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.468 -3.074 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.459 -2.798 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.893 -3.890 3.128 1.00 0.00 H new ATOM 202 N LYS A 16 -3.838 -7.380 6.607 1.00 0.00 N ATOM 203 CA LYS A 16 -3.124 -8.048 7.690 1.00 0.00 C ATOM 204 C LYS A 16 -1.683 -8.344 7.289 1.00 0.00 C ATOM 205 O LYS A 16 -0.756 -8.139 8.073 1.00 0.00 O ATOM 206 CB LYS A 16 -3.836 -9.348 8.071 1.00 0.00 C ATOM 207 CG LYS A 16 -4.125 -10.253 6.887 1.00 0.00 C ATOM 208 CD LYS A 16 -4.706 -11.585 7.332 1.00 0.00 C ATOM 209 CE LYS A 16 -4.486 -12.667 6.285 1.00 0.00 C ATOM 210 NZ LYS A 16 -4.994 -13.991 6.740 1.00 0.00 N ATOM 0 H LYS A 16 -4.790 -7.716 6.460 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.113 -7.381 8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.223 -9.890 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.774 -9.106 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.823 -9.758 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.206 -10.425 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.245 -11.888 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.773 -11.472 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.988 -12.384 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.422 -12.744 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.825 -14.701 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.498 -14.273 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.014 -13.925 6.930 1.00 0.00 H new ATOM 224 N VAL A 17 -1.500 -8.825 6.064 1.00 0.00 N ATOM 225 CA VAL A 17 -0.171 -9.147 5.559 1.00 0.00 C ATOM 226 C VAL A 17 0.732 -7.918 5.567 1.00 0.00 C ATOM 227 O VAL A 17 1.827 -7.942 6.132 1.00 0.00 O ATOM 228 CB VAL A 17 -0.236 -9.714 4.128 1.00 0.00 C ATOM 229 CG1 VAL A 17 1.162 -9.855 3.546 1.00 0.00 C ATOM 230 CG2 VAL A 17 -0.965 -11.049 4.117 1.00 0.00 C ATOM 0 H VAL A 17 -2.256 -9.000 5.402 1.00 0.00 H new ATOM 0 HA VAL A 17 0.245 -9.905 6.223 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.794 -9.016 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.096 -10.257 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.645 -8.878 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.748 -10.531 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.002 -11.435 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.436 -11.757 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.980 -10.912 4.490 1.00 0.00 H new ATOM 240 N LEU A 18 0.267 -6.845 4.938 1.00 0.00 N ATOM 241 CA LEU A 18 1.032 -5.605 4.872 1.00 0.00 C ATOM 242 C LEU A 18 1.350 -5.087 6.271 1.00 0.00 C ATOM 243 O LEU A 18 2.514 -4.901 6.626 1.00 0.00 O ATOM 244 CB LEU A 18 0.256 -4.545 4.087 1.00 0.00 C ATOM 245 CG LEU A 18 -0.031 -4.872 2.622 1.00 0.00 C ATOM 246 CD1 LEU A 18 -1.142 -3.983 2.084 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.230 -4.718 1.784 1.00 0.00 C ATOM 0 H LEU A 18 -0.637 -6.808 4.466 1.00 0.00 H new ATOM 0 HA LEU A 18 1.971 -5.813 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.694 -4.370 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.815 -3.610 4.127 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.361 -5.909 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.332 -4.230 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.050 -4.143 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.841 -2.938 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.007 -4.955 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.590 -3.691 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.998 -5.397 2.154 1.00 0.00 H new ATOM 259 N LEU A 19 0.308 -4.857 7.062 1.00 0.00 N ATOM 260 CA LEU A 19 0.475 -4.362 8.424 1.00 0.00 C ATOM 261 C LEU A 19 1.482 -5.213 9.193 1.00 0.00 C ATOM 262 O LEU A 19 2.436 -4.693 9.771 1.00 0.00 O ATOM 263 CB LEU A 19 -0.869 -4.358 9.155 1.00 0.00 C ATOM 264 CG LEU A 19 -1.948 -3.447 8.569 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.273 -3.662 9.283 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.522 -1.988 8.660 1.00 0.00 C ATOM 0 H LEU A 19 -0.662 -5.005 6.784 1.00 0.00 H new ATOM 0 HA LEU A 19 0.855 -3.342 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.253 -5.378 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.696 -4.064 10.190 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.079 -3.702 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.029 -3.005 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.585 -4.700 9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.156 -3.435 10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.302 -1.354 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.362 -1.720 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.596 -1.844 8.103 1.00 0.00 H new ATOM 278 N SER A 20 1.263 -6.524 9.192 1.00 0.00 N ATOM 279 CA SER A 20 2.150 -7.447 9.890 1.00 0.00 C ATOM 280 C SER A 20 3.612 -7.091 9.639 1.00 0.00 C ATOM 281 O SER A 20 4.430 -7.095 10.558 1.00 0.00 O ATOM 282 CB SER A 20 1.879 -8.885 9.442 1.00 0.00 C ATOM 283 OG SER A 20 0.866 -9.483 10.232 1.00 0.00 O ATOM 0 H SER A 20 0.479 -6.971 8.716 1.00 0.00 H new ATOM 0 HA SER A 20 1.953 -7.363 10.959 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.579 -8.892 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.795 -9.471 9.515 1.00 0.00 H new ATOM 0 HG SER A 20 -0.012 -9.280 9.847 1.00 0.00 H new ATOM 289 N GLY A 21 3.932 -6.783 8.386 1.00 0.00 N ATOM 290 CA GLY A 21 5.295 -6.428 8.035 1.00 0.00 C ATOM 291 C GLY A 21 6.134 -7.638 7.674 1.00 0.00 C ATOM 292 O GLY A 21 6.058 -8.674 8.334 1.00 0.00 O ATOM 0 H GLY A 21 3.272 -6.773 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.282 -5.735 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.758 -5.905 8.872 1.00 0.00 H new ATOM 296 N ALA A 22 6.936 -7.507 6.622 1.00 0.00 N ATOM 297 CA ALA A 22 7.793 -8.598 6.175 1.00 0.00 C ATOM 298 C ALA A 22 9.234 -8.130 6.004 1.00 0.00 C ATOM 299 O ALA A 22 9.487 -7.039 5.493 1.00 0.00 O ATOM 300 CB ALA A 22 7.268 -9.182 4.872 1.00 0.00 C ATOM 0 H ALA A 22 7.010 -6.656 6.064 1.00 0.00 H new ATOM 0 HA ALA A 22 7.779 -9.374 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.918 -9.996 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.258 -9.563 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.251 -8.406 4.106 1.00 0.00 H new ATOM 306 N THR A 23 10.177 -8.961 6.437 1.00 0.00 N ATOM 307 CA THR A 23 11.593 -8.631 6.333 1.00 0.00 C ATOM 308 C THR A 23 12.061 -8.665 4.883 1.00 0.00 C ATOM 309 O THR A 23 11.686 -9.555 4.119 1.00 0.00 O ATOM 310 CB THR A 23 12.458 -9.600 7.162 1.00 0.00 C ATOM 311 OG1 THR A 23 11.931 -9.713 8.489 1.00 0.00 O ATOM 312 CG2 THR A 23 13.900 -9.120 7.223 1.00 0.00 C ATOM 0 H THR A 23 9.986 -9.868 6.863 1.00 0.00 H new ATOM 0 HA THR A 23 11.711 -7.621 6.727 1.00 0.00 H new ATOM 0 HB THR A 23 12.437 -10.577 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.485 -10.332 9.009 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.492 -9.820 7.813 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.307 -9.062 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.936 -8.134 7.686 1.00 0.00 H new ATOM 320 N PHE A 24 12.883 -7.691 4.508 1.00 0.00 N ATOM 321 CA PHE A 24 13.403 -7.609 3.148 1.00 0.00 C ATOM 322 C PHE A 24 14.823 -7.050 3.141 1.00 0.00 C ATOM 323 O PHE A 24 15.212 -6.301 4.037 1.00 0.00 O ATOM 324 CB PHE A 24 12.493 -6.733 2.284 1.00 0.00 C ATOM 325 CG PHE A 24 11.100 -7.274 2.141 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.815 -8.251 1.201 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.074 -6.805 2.946 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.533 -8.750 1.066 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.790 -7.300 2.816 1.00 0.00 C ATOM 330 CZ PHE A 24 8.520 -8.275 1.876 1.00 0.00 C ATOM 0 H PHE A 24 13.204 -6.947 5.127 1.00 0.00 H new ATOM 0 HA PHE A 24 13.427 -8.617 2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.444 -5.735 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.937 -6.628 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.604 -8.627 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.280 -6.044 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.324 -9.510 0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.999 -6.925 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.518 -8.666 1.774 1.00 0.00 H new ATOM 340 N LEU A 25 15.592 -7.421 2.123 1.00 0.00 N ATOM 341 CA LEU A 25 16.970 -6.958 1.997 1.00 0.00 C ATOM 342 C LEU A 25 17.032 -5.625 1.259 1.00 0.00 C ATOM 343 O LEU A 25 16.893 -5.573 0.037 1.00 0.00 O ATOM 344 CB LEU A 25 17.814 -8.001 1.263 1.00 0.00 C ATOM 345 CG LEU A 25 18.338 -9.159 2.112 1.00 0.00 C ATOM 346 CD1 LEU A 25 19.169 -10.110 1.263 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.155 -8.635 3.283 1.00 0.00 C ATOM 0 H LEU A 25 15.285 -8.041 1.373 1.00 0.00 H new ATOM 0 HA LEU A 25 17.372 -6.815 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.218 -8.414 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.666 -7.495 0.809 1.00 0.00 H new ATOM 0 HG LEU A 25 17.484 -9.709 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.534 -10.928 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.553 -10.512 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.016 -9.572 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.520 -9.473 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.002 -8.060 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.530 -7.995 3.905 1.00 0.00 H new ATOM 359 N VAL A 26 17.242 -4.548 2.009 1.00 0.00 N ATOM 360 CA VAL A 26 17.326 -3.214 1.425 1.00 0.00 C ATOM 361 C VAL A 26 18.772 -2.834 1.128 1.00 0.00 C ATOM 362 O VAL A 26 19.661 -3.030 1.957 1.00 0.00 O ATOM 363 CB VAL A 26 16.709 -2.154 2.357 1.00 0.00 C ATOM 364 CG1 VAL A 26 16.734 -0.784 1.697 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.290 -2.544 2.742 1.00 0.00 C ATOM 0 H VAL A 26 17.357 -4.573 3.022 1.00 0.00 H new ATOM 0 HA VAL A 26 16.762 -3.240 0.493 1.00 0.00 H new ATOM 0 HB VAL A 26 17.307 -2.103 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.294 -0.048 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.764 -0.505 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.161 -0.816 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.870 -1.784 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.678 -2.624 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.304 -3.504 3.258 1.00 0.00 H new ATOM 375 N THR A 27 19.002 -2.289 -0.063 1.00 0.00 N ATOM 376 CA THR A 27 20.340 -1.881 -0.471 1.00 0.00 C ATOM 377 C THR A 27 20.446 -0.364 -0.572 1.00 0.00 C ATOM 378 O THR A 27 20.095 0.226 -1.594 1.00 0.00 O ATOM 379 CB THR A 27 20.728 -2.503 -1.826 1.00 0.00 C ATOM 380 OG1 THR A 27 20.243 -3.848 -1.904 1.00 0.00 O ATOM 381 CG2 THR A 27 22.237 -2.491 -2.015 1.00 0.00 C ATOM 0 H THR A 27 18.278 -2.120 -0.762 1.00 0.00 H new ATOM 0 HA THR A 27 21.027 -2.240 0.295 1.00 0.00 H new ATOM 0 HB THR A 27 20.274 -1.907 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.492 -4.236 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.487 -2.935 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 27 22.599 -1.463 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.708 -3.066 -1.218 1.00 0.00 H new ATOM 389 N PHE A 28 20.934 0.263 0.493 1.00 0.00 N ATOM 390 CA PHE A 28 21.086 1.713 0.524 1.00 0.00 C ATOM 391 C PHE A 28 21.881 2.202 -0.683 1.00 0.00 C ATOM 392 O PHE A 28 22.282 1.413 -1.537 1.00 0.00 O ATOM 393 CB PHE A 28 21.780 2.146 1.817 1.00 0.00 C ATOM 394 CG PHE A 28 20.931 1.967 3.043 1.00 0.00 C ATOM 395 CD1 PHE A 28 19.699 2.591 3.145 1.00 0.00 C ATOM 396 CD2 PHE A 28 21.366 1.174 4.093 1.00 0.00 C ATOM 397 CE1 PHE A 28 18.916 2.428 4.273 1.00 0.00 C ATOM 398 CE2 PHE A 28 20.588 1.007 5.223 1.00 0.00 C ATOM 399 CZ PHE A 28 19.360 1.635 5.312 1.00 0.00 C ATOM 0 H PHE A 28 21.231 -0.210 1.346 1.00 0.00 H new ATOM 0 HA PHE A 28 20.092 2.159 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 28 22.700 1.573 1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.066 3.194 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 28 19.346 3.212 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 28 22.324 0.681 4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 28 17.957 2.921 4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.939 0.387 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.749 1.506 6.193 1.00 0.00 H new ATOM 409 N GLY A 29 22.105 3.511 -0.745 1.00 0.00 N ATOM 410 CA GLY A 29 22.850 4.084 -1.851 1.00 0.00 C ATOM 411 C GLY A 29 24.339 3.822 -1.744 1.00 0.00 C ATOM 412 O GLY A 29 24.971 4.188 -0.754 1.00 0.00 O ATOM 0 H GLY A 29 21.784 4.185 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.478 3.671 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 29 22.675 5.159 -1.885 1.00 0.00 H new ATOM 416 N ASN A 30 24.900 3.184 -2.766 1.00 0.00 N ATOM 417 CA ASN A 30 26.325 2.870 -2.782 1.00 0.00 C ATOM 418 C ASN A 30 26.646 1.749 -1.798 1.00 0.00 C ATOM 419 O ASN A 30 27.694 1.757 -1.153 1.00 0.00 O ATOM 420 CB ASN A 30 27.146 4.115 -2.440 1.00 0.00 C ATOM 421 CG ASN A 30 26.663 5.347 -3.181 1.00 0.00 C ATOM 422 OD1 ASN A 30 25.501 5.737 -3.069 1.00 0.00 O ATOM 423 ND2 ASN A 30 27.557 5.966 -3.944 1.00 0.00 N ATOM 0 H ASN A 30 24.390 2.874 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 30 26.587 2.534 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 30 27.095 4.297 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 30 28.193 3.935 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 30 27.291 6.800 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 30 28.510 5.607 -4.007 1.00 0.00 H new ATOM 430 N SER A 31 25.736 0.786 -1.688 1.00 0.00 N ATOM 431 CA SER A 31 25.921 -0.340 -0.781 1.00 0.00 C ATOM 432 C SER A 31 25.876 -1.662 -1.540 1.00 0.00 C ATOM 433 O SER A 31 24.810 -2.251 -1.719 1.00 0.00 O ATOM 434 CB SER A 31 24.845 -0.327 0.308 1.00 0.00 C ATOM 435 OG SER A 31 25.145 -1.260 1.331 1.00 0.00 O ATOM 0 H SER A 31 24.864 0.763 -2.216 1.00 0.00 H new ATOM 0 HA SER A 31 26.901 -0.242 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 31 24.767 0.673 0.735 1.00 0.00 H new ATOM 0 HB3 SER A 31 23.876 -0.563 -0.131 1.00 0.00 H new ATOM 0 HG SER A 31 24.725 -2.120 1.123 1.00 0.00 H new ATOM 441 N GLU A 32 27.041 -2.123 -1.984 1.00 0.00 N ATOM 442 CA GLU A 32 27.135 -3.375 -2.725 1.00 0.00 C ATOM 443 C GLU A 32 26.590 -4.537 -1.900 1.00 0.00 C ATOM 444 O GLU A 32 26.326 -5.618 -2.427 1.00 0.00 O ATOM 445 CB GLU A 32 28.587 -3.652 -3.119 1.00 0.00 C ATOM 446 CG GLU A 32 29.442 -4.167 -1.973 1.00 0.00 C ATOM 447 CD GLU A 32 29.844 -3.070 -1.007 1.00 0.00 C ATOM 448 OE1 GLU A 32 30.168 -1.958 -1.472 1.00 0.00 O ATOM 449 OE2 GLU A 32 29.834 -3.325 0.216 1.00 0.00 O ATOM 0 H GLU A 32 27.933 -1.648 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 32 26.533 -3.279 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 32 28.602 -4.382 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 32 29.030 -2.735 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 28.893 -4.938 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 32 30.339 -4.637 -2.376 1.00 0.00 H new ATOM 456 N LYS A 33 26.425 -4.307 -0.601 1.00 0.00 N ATOM 457 CA LYS A 33 25.911 -5.333 0.299 1.00 0.00 C ATOM 458 C LYS A 33 24.514 -4.973 0.793 1.00 0.00 C ATOM 459 O LYS A 33 24.259 -3.857 1.247 1.00 0.00 O ATOM 460 CB LYS A 33 26.855 -5.515 1.490 1.00 0.00 C ATOM 461 CG LYS A 33 26.185 -6.125 2.709 1.00 0.00 C ATOM 462 CD LYS A 33 27.168 -6.934 3.539 1.00 0.00 C ATOM 463 CE LYS A 33 27.422 -8.302 2.926 1.00 0.00 C ATOM 464 NZ LYS A 33 26.362 -9.281 3.296 1.00 0.00 N ATOM 0 H LYS A 33 26.640 -3.419 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 33 25.850 -6.270 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.689 -6.149 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.274 -4.546 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.754 -5.334 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.362 -6.766 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.109 -6.391 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.779 -7.054 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 33 27.469 -8.211 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 33 28.392 -8.674 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.571 -10.201 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.334 -9.388 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.440 -8.939 2.958 1.00 0.00 H new ATOM 478 N PRO A 34 23.587 -5.938 0.706 1.00 0.00 N ATOM 479 CA PRO A 34 22.201 -5.746 1.142 1.00 0.00 C ATOM 480 C PRO A 34 22.081 -5.632 2.658 1.00 0.00 C ATOM 481 O PRO A 34 22.935 -6.121 3.396 1.00 0.00 O ATOM 482 CB PRO A 34 21.494 -7.009 0.643 1.00 0.00 C ATOM 483 CG PRO A 34 22.570 -8.035 0.554 1.00 0.00 C ATOM 484 CD PRO A 34 23.821 -7.292 0.175 1.00 0.00 C ATOM 0 HA PRO A 34 21.776 -4.821 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.707 -7.320 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.024 -6.843 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.696 -8.552 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 34 22.326 -8.793 -0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.708 -7.748 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 34 23.970 -7.280 -0.905 1.00 0.00 H new ATOM 492 N GLU A 35 21.014 -4.984 3.115 1.00 0.00 N ATOM 493 CA GLU A 35 20.783 -4.806 4.544 1.00 0.00 C ATOM 494 C GLU A 35 19.438 -5.398 4.956 1.00 0.00 C ATOM 495 O GLU A 35 18.468 -5.350 4.199 1.00 0.00 O ATOM 496 CB GLU A 35 20.833 -3.321 4.911 1.00 0.00 C ATOM 497 CG GLU A 35 20.652 -3.054 6.395 1.00 0.00 C ATOM 498 CD GLU A 35 21.967 -3.046 7.151 1.00 0.00 C ATOM 499 OE1 GLU A 35 22.802 -2.158 6.880 1.00 0.00 O ATOM 500 OE2 GLU A 35 22.160 -3.927 8.015 1.00 0.00 O ATOM 0 H GLU A 35 20.297 -4.574 2.517 1.00 0.00 H new ATOM 0 HA GLU A 35 21.572 -5.332 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 35 21.790 -2.908 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.056 -2.793 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 20.154 -2.094 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 35 19.997 -3.815 6.820 1.00 0.00 H new ATOM 507 N THR A 36 19.388 -5.956 6.161 1.00 0.00 N ATOM 508 CA THR A 36 18.165 -6.559 6.674 1.00 0.00 C ATOM 509 C THR A 36 17.296 -5.524 7.380 1.00 0.00 C ATOM 510 O THR A 36 17.661 -5.012 8.438 1.00 0.00 O ATOM 511 CB THR A 36 18.472 -7.708 7.653 1.00 0.00 C ATOM 512 OG1 THR A 36 19.519 -8.532 7.128 1.00 0.00 O ATOM 513 CG2 THR A 36 17.231 -8.553 7.902 1.00 0.00 C ATOM 0 H THR A 36 20.181 -6.003 6.800 1.00 0.00 H new ATOM 0 HA THR A 36 17.626 -6.958 5.815 1.00 0.00 H new ATOM 0 HB THR A 36 18.792 -7.274 8.600 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.710 -9.259 7.757 1.00 0.00 H new ATOM 0 HG21 THR A 36 17.472 -9.358 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.446 -7.929 8.329 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.885 -8.978 6.960 1.00 0.00 H new ATOM 521 N MET A 37 16.145 -5.222 6.788 1.00 0.00 N ATOM 522 CA MET A 37 15.223 -4.249 7.363 1.00 0.00 C ATOM 523 C MET A 37 13.776 -4.692 7.173 1.00 0.00 C ATOM 524 O MET A 37 13.443 -5.355 6.190 1.00 0.00 O ATOM 525 CB MET A 37 15.436 -2.875 6.725 1.00 0.00 C ATOM 526 CG MET A 37 16.872 -2.384 6.803 1.00 0.00 C ATOM 527 SD MET A 37 16.998 -0.587 6.720 1.00 0.00 S ATOM 528 CE MET A 37 16.617 -0.142 8.412 1.00 0.00 C ATOM 0 H MET A 37 15.829 -5.636 5.911 1.00 0.00 H new ATOM 0 HA MET A 37 15.426 -4.181 8.432 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.132 -2.918 5.679 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.786 -2.151 7.216 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.321 -2.733 7.733 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.447 -2.823 5.987 1.00 0.00 H new ATOM 0 HE1 MET A 37 16.585 0.944 8.504 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.648 -0.559 8.688 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.386 -0.540 9.075 1.00 0.00 H new ATOM 538 N THR A 38 12.919 -4.323 8.120 1.00 0.00 N ATOM 539 CA THR A 38 11.509 -4.684 8.057 1.00 0.00 C ATOM 540 C THR A 38 10.684 -3.572 7.419 1.00 0.00 C ATOM 541 O THR A 38 10.668 -2.441 7.906 1.00 0.00 O ATOM 542 CB THR A 38 10.944 -4.987 9.458 1.00 0.00 C ATOM 543 OG1 THR A 38 11.834 -5.856 10.167 1.00 0.00 O ATOM 544 CG2 THR A 38 9.570 -5.633 9.358 1.00 0.00 C ATOM 0 H THR A 38 13.178 -3.774 8.940 1.00 0.00 H new ATOM 0 HA THR A 38 11.440 -5.582 7.443 1.00 0.00 H new ATOM 0 HB THR A 38 10.848 -4.046 9.999 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.469 -6.043 11.057 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.191 -5.838 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.887 -4.958 8.842 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.647 -6.567 8.801 1.00 0.00 H new ATOM 552 N CYS A 39 10.001 -3.899 6.328 1.00 0.00 N ATOM 553 CA CYS A 39 9.174 -2.927 5.623 1.00 0.00 C ATOM 554 C CYS A 39 7.692 -3.223 5.829 1.00 0.00 C ATOM 555 O CYS A 39 7.166 -4.205 5.305 1.00 0.00 O ATOM 556 CB CYS A 39 9.505 -2.932 4.130 1.00 0.00 C ATOM 557 SG CYS A 39 9.248 -1.340 3.312 1.00 0.00 S ATOM 0 H CYS A 39 10.004 -4.830 5.912 1.00 0.00 H new ATOM 0 HA CYS A 39 9.389 -1.940 6.032 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.545 -3.231 4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.892 -3.686 3.635 1.00 0.00 H new ATOM 0 HG CYS A 39 8.283 -1.447 2.447 1.00 0.00 H new ATOM 563 N ARG A 40 7.024 -2.368 6.596 1.00 0.00 N ATOM 564 CA ARG A 40 5.603 -2.540 6.874 1.00 0.00 C ATOM 565 C ARG A 40 4.827 -1.268 6.544 1.00 0.00 C ATOM 566 O ARG A 40 5.414 -0.203 6.346 1.00 0.00 O ATOM 567 CB ARG A 40 5.390 -2.913 8.342 1.00 0.00 C ATOM 568 CG ARG A 40 5.651 -1.767 9.306 1.00 0.00 C ATOM 569 CD ARG A 40 5.932 -2.275 10.712 1.00 0.00 C ATOM 570 NE ARG A 40 5.757 -1.230 11.717 1.00 0.00 N ATOM 571 CZ ARG A 40 6.055 -1.388 13.001 1.00 0.00 C ATOM 572 NH1 ARG A 40 6.541 -2.542 13.435 1.00 0.00 N ATOM 573 NH2 ARG A 40 5.867 -0.389 13.855 1.00 0.00 N ATOM 0 H ARG A 40 7.444 -1.549 7.036 1.00 0.00 H new ATOM 0 HA ARG A 40 5.230 -3.347 6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.366 -3.262 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.046 -3.746 8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.499 -1.180 8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.788 -1.101 9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.266 -3.108 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.951 -2.659 10.762 1.00 0.00 H new ATOM 0 HE ARG A 40 5.385 -0.329 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.687 -3.312 12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.769 -2.660 14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.493 0.501 13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.096 -0.511 14.841 1.00 0.00 H new ATOM 587 N LEU A 41 3.505 -1.386 6.486 1.00 0.00 N ATOM 588 CA LEU A 41 2.648 -0.247 6.179 1.00 0.00 C ATOM 589 C LEU A 41 1.972 0.282 7.440 1.00 0.00 C ATOM 590 O LEU A 41 1.747 -0.463 8.394 1.00 0.00 O ATOM 591 CB LEU A 41 1.590 -0.642 5.148 1.00 0.00 C ATOM 592 CG LEU A 41 1.979 -0.454 3.681 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.098 -1.308 2.781 1.00 0.00 C ATOM 594 CD2 LEU A 41 1.883 1.012 3.287 1.00 0.00 C ATOM 0 H LEU A 41 3.003 -2.259 6.648 1.00 0.00 H new ATOM 0 HA LEU A 41 3.273 0.544 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.333 -1.690 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.688 -0.061 5.341 1.00 0.00 H new ATOM 0 HG LEU A 41 3.013 -0.776 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.390 -1.161 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.217 -2.359 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.056 -1.017 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.163 1.126 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.860 1.361 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.557 1.601 3.909 1.00 0.00 H new ATOM 606 N SER A 42 1.649 1.571 7.437 1.00 0.00 N ATOM 607 CA SER A 42 1.000 2.200 8.581 1.00 0.00 C ATOM 608 C SER A 42 -0.432 1.698 8.736 1.00 0.00 C ATOM 609 O SER A 42 -0.928 0.937 7.907 1.00 0.00 O ATOM 610 CB SER A 42 1.006 3.722 8.425 1.00 0.00 C ATOM 611 OG SER A 42 2.259 4.268 8.799 1.00 0.00 O ATOM 0 H SER A 42 1.826 2.201 6.654 1.00 0.00 H new ATOM 0 HA SER A 42 1.559 1.932 9.478 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.785 3.986 7.391 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.218 4.157 9.040 1.00 0.00 H new ATOM 0 HG SER A 42 2.881 4.207 8.044 1.00 0.00 H new ATOM 617 N ASN A 43 -1.092 2.132 9.806 1.00 0.00 N ATOM 618 CA ASN A 43 -2.467 1.727 10.072 1.00 0.00 C ATOM 619 C ASN A 43 -3.343 1.936 8.841 1.00 0.00 C ATOM 620 O ASN A 43 -4.169 1.089 8.503 1.00 0.00 O ATOM 621 CB ASN A 43 -3.034 2.516 11.254 1.00 0.00 C ATOM 622 CG ASN A 43 -2.432 2.086 12.578 1.00 0.00 C ATOM 623 OD1 ASN A 43 -1.505 1.276 12.617 1.00 0.00 O ATOM 624 ND2 ASN A 43 -2.958 2.626 13.671 1.00 0.00 N ATOM 0 H ASN A 43 -0.696 2.764 10.502 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.465 0.665 10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.847 3.579 11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.115 2.385 11.290 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.595 2.374 14.590 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.725 3.293 13.592 1.00 0.00 H new ATOM 631 N ASN A 44 -3.156 3.071 8.173 1.00 0.00 N ATOM 632 CA ASN A 44 -3.929 3.391 6.979 1.00 0.00 C ATOM 633 C ASN A 44 -3.099 3.171 5.718 1.00 0.00 C ATOM 634 O ASN A 44 -3.408 3.713 4.658 1.00 0.00 O ATOM 635 CB ASN A 44 -4.416 4.841 7.035 1.00 0.00 C ATOM 636 CG ASN A 44 -5.561 5.028 8.012 1.00 0.00 C ATOM 637 OD1 ASN A 44 -6.073 4.063 8.579 1.00 0.00 O ATOM 638 ND2 ASN A 44 -5.969 6.276 8.213 1.00 0.00 N ATOM 0 H ASN A 44 -2.476 3.783 8.439 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.791 2.725 6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.588 5.489 7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.736 5.153 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.736 6.464 8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.516 7.046 7.721 1.00 0.00 H new ATOM 645 N GLN A 45 -2.045 2.370 5.843 1.00 0.00 N ATOM 646 CA GLN A 45 -1.171 2.078 4.713 1.00 0.00 C ATOM 647 C GLN A 45 -0.925 3.330 3.877 1.00 0.00 C ATOM 648 O GLN A 45 -0.979 3.288 2.648 1.00 0.00 O ATOM 649 CB GLN A 45 -1.780 0.979 3.840 1.00 0.00 C ATOM 650 CG GLN A 45 -2.290 -0.214 4.632 1.00 0.00 C ATOM 651 CD GLN A 45 -3.741 -0.064 5.044 1.00 0.00 C ATOM 652 OE1 GLN A 45 -4.435 0.848 4.594 1.00 0.00 O ATOM 653 NE2 GLN A 45 -4.209 -0.962 5.904 1.00 0.00 N ATOM 0 H GLN A 45 -1.776 1.913 6.714 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.215 1.732 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.603 1.400 3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.031 0.637 3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.178 -1.118 4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.675 -0.344 5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.599 -1.702 6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.179 -0.912 6.217 1.00 0.00 H new ATOM 662 N ARG A 46 -0.654 4.442 4.552 1.00 0.00 N ATOM 663 CA ARG A 46 -0.402 5.706 3.872 1.00 0.00 C ATOM 664 C ARG A 46 1.087 6.041 3.882 1.00 0.00 C ATOM 665 O ARG A 46 1.554 6.866 3.096 1.00 0.00 O ATOM 666 CB ARG A 46 -1.194 6.835 4.535 1.00 0.00 C ATOM 667 CG ARG A 46 -2.669 6.839 4.170 1.00 0.00 C ATOM 668 CD ARG A 46 -3.247 8.246 4.203 1.00 0.00 C ATOM 669 NE ARG A 46 -3.448 8.723 5.568 1.00 0.00 N ATOM 670 CZ ARG A 46 -3.723 9.986 5.872 1.00 0.00 C ATOM 671 NH1 ARG A 46 -3.830 10.894 4.912 1.00 0.00 N ATOM 672 NH2 ARG A 46 -3.893 10.343 7.139 1.00 0.00 N ATOM 0 H ARG A 46 -0.603 4.493 5.569 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.728 5.603 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.096 6.749 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.755 7.791 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.800 6.414 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.218 6.202 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.577 8.926 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.198 8.260 3.670 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.373 8.049 6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.701 10.623 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.041 11.863 5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.812 9.647 7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.104 11.313 7.371 1.00 0.00 H new ATOM 686 N TYR A 47 1.827 5.396 4.777 1.00 0.00 N ATOM 687 CA TYR A 47 3.262 5.628 4.892 1.00 0.00 C ATOM 688 C TYR A 47 3.996 4.336 5.241 1.00 0.00 C ATOM 689 O TYR A 47 3.431 3.435 5.862 1.00 0.00 O ATOM 690 CB TYR A 47 3.545 6.691 5.955 1.00 0.00 C ATOM 691 CG TYR A 47 2.991 8.055 5.609 1.00 0.00 C ATOM 692 CD1 TYR A 47 1.636 8.331 5.743 1.00 0.00 C ATOM 693 CD2 TYR A 47 3.824 9.068 5.150 1.00 0.00 C ATOM 694 CE1 TYR A 47 1.126 9.575 5.428 1.00 0.00 C ATOM 695 CE2 TYR A 47 3.323 10.316 4.833 1.00 0.00 C ATOM 696 CZ TYR A 47 1.973 10.564 4.973 1.00 0.00 C ATOM 697 OH TYR A 47 1.469 11.806 4.659 1.00 0.00 O ATOM 0 H TYR A 47 1.457 4.708 5.433 1.00 0.00 H new ATOM 0 HA TYR A 47 3.625 5.983 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.120 6.366 6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.622 6.771 6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.970 7.559 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.881 8.877 5.039 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.070 9.772 5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.984 11.093 4.478 1.00 0.00 H new ATOM 0 HH TYR A 47 2.154 12.488 4.821 1.00 0.00 H new ATOM 707 N LEU A 48 5.258 4.254 4.837 1.00 0.00 N ATOM 708 CA LEU A 48 6.072 3.073 5.106 1.00 0.00 C ATOM 709 C LEU A 48 7.130 3.371 6.164 1.00 0.00 C ATOM 710 O LEU A 48 7.533 4.520 6.348 1.00 0.00 O ATOM 711 CB LEU A 48 6.743 2.588 3.820 1.00 0.00 C ATOM 712 CG LEU A 48 5.803 2.158 2.693 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.543 2.121 1.366 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.187 0.801 3.001 1.00 0.00 C ATOM 0 H LEU A 48 5.741 4.990 4.322 1.00 0.00 H new ATOM 0 HA LEU A 48 5.417 2.289 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.385 3.385 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.391 1.747 4.067 1.00 0.00 H new ATOM 0 HG LEU A 48 4.999 2.890 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.858 1.813 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.935 3.113 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.367 1.411 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.521 0.511 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.977 0.058 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.621 0.861 3.930 1.00 0.00 H new ATOM 726 N PHE A 49 7.578 2.328 6.855 1.00 0.00 N ATOM 727 CA PHE A 49 8.591 2.478 7.894 1.00 0.00 C ATOM 728 C PHE A 49 9.626 1.360 7.810 1.00 0.00 C ATOM 729 O PHE A 49 9.313 0.237 7.410 1.00 0.00 O ATOM 730 CB PHE A 49 7.936 2.479 9.277 1.00 0.00 C ATOM 731 CG PHE A 49 7.257 3.774 9.618 1.00 0.00 C ATOM 732 CD1 PHE A 49 7.965 4.808 10.209 1.00 0.00 C ATOM 733 CD2 PHE A 49 5.911 3.958 9.347 1.00 0.00 C ATOM 734 CE1 PHE A 49 7.343 6.002 10.524 1.00 0.00 C ATOM 735 CE2 PHE A 49 5.284 5.150 9.659 1.00 0.00 C ATOM 736 CZ PHE A 49 6.000 6.172 10.249 1.00 0.00 C ATOM 0 H PHE A 49 7.256 1.370 6.715 1.00 0.00 H new ATOM 0 HA PHE A 49 9.098 3.430 7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.205 1.671 9.325 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.695 2.267 10.030 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.015 4.680 10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.345 3.161 8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.906 6.800 10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.234 5.281 9.441 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.511 7.103 10.495 1.00 0.00 H new ATOM 746 N LEU A 50 10.860 1.675 8.187 1.00 0.00 N ATOM 747 CA LEU A 50 11.943 0.698 8.154 1.00 0.00 C ATOM 748 C LEU A 50 12.474 0.426 9.558 1.00 0.00 C ATOM 749 O LEU A 50 12.431 1.296 10.428 1.00 0.00 O ATOM 750 CB LEU A 50 13.076 1.194 7.254 1.00 0.00 C ATOM 751 CG LEU A 50 12.693 1.520 5.811 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.853 2.189 5.089 1.00 0.00 C ATOM 753 CD2 LEU A 50 12.260 0.260 5.076 1.00 0.00 C ATOM 0 H LEU A 50 11.136 2.599 8.519 1.00 0.00 H new ATOM 0 HA LEU A 50 11.547 -0.233 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.507 2.088 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.859 0.436 7.238 1.00 0.00 H new ATOM 0 HG LEU A 50 11.853 2.214 5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.562 2.414 4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.116 3.114 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.713 1.519 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.991 0.512 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.080 -0.458 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.398 -0.177 5.580 1.00 0.00 H new ATOM 765 N ASP A 51 12.977 -0.785 9.770 1.00 0.00 N ATOM 766 CA ASP A 51 13.520 -1.170 11.068 1.00 0.00 C ATOM 767 C ASP A 51 14.751 -2.055 10.900 1.00 0.00 C ATOM 768 O ASP A 51 14.666 -3.160 10.365 1.00 0.00 O ATOM 769 CB ASP A 51 12.460 -1.901 11.892 1.00 0.00 C ATOM 770 CG ASP A 51 11.201 -1.077 12.077 1.00 0.00 C ATOM 771 OD1 ASP A 51 10.335 -1.106 11.177 1.00 0.00 O ATOM 772 OD2 ASP A 51 11.081 -0.402 13.122 1.00 0.00 O ATOM 0 H ASP A 51 13.020 -1.517 9.061 1.00 0.00 H new ATOM 0 HA ASP A 51 13.815 -0.262 11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.207 -2.841 11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.873 -2.153 12.869 1.00 0.00 H new ATOM 777 N GLY A 52 15.897 -1.562 11.361 1.00 0.00 N ATOM 778 CA GLY A 52 17.129 -2.320 11.251 1.00 0.00 C ATOM 779 C GLY A 52 18.336 -1.538 11.729 1.00 0.00 C ATOM 780 O GLY A 52 18.365 -1.059 12.863 1.00 0.00 O ATOM 0 H GLY A 52 15.993 -0.651 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.041 -3.237 11.833 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.279 -2.615 10.212 1.00 0.00 H new ATOM 784 N ASP A 53 19.335 -1.408 10.863 1.00 0.00 N ATOM 785 CA ASP A 53 20.552 -0.678 11.203 1.00 0.00 C ATOM 786 C ASP A 53 20.219 0.634 11.907 1.00 0.00 C ATOM 787 O ASP A 53 20.807 0.963 12.937 1.00 0.00 O ATOM 788 CB ASP A 53 21.375 -0.402 9.944 1.00 0.00 C ATOM 789 CG ASP A 53 22.840 -0.161 10.252 1.00 0.00 C ATOM 790 OD1 ASP A 53 23.403 -0.910 11.077 1.00 0.00 O ATOM 791 OD2 ASP A 53 23.422 0.777 9.668 1.00 0.00 O ATOM 0 H ASP A 53 19.327 -1.798 9.921 1.00 0.00 H new ATOM 0 HA ASP A 53 21.139 -1.295 11.883 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.284 -1.247 9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 53 20.967 0.468 9.430 1.00 0.00 H new ATOM 796 N SER A 54 19.274 1.379 11.343 1.00 0.00 N ATOM 797 CA SER A 54 18.867 2.658 11.913 1.00 0.00 C ATOM 798 C SER A 54 17.386 2.919 11.658 1.00 0.00 C ATOM 799 O SER A 54 16.826 2.467 10.659 1.00 0.00 O ATOM 800 CB SER A 54 19.706 3.793 11.323 1.00 0.00 C ATOM 801 OG SER A 54 20.899 3.984 12.064 1.00 0.00 O ATOM 0 H SER A 54 18.776 1.119 10.492 1.00 0.00 H new ATOM 0 HA SER A 54 19.031 2.617 12.990 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.951 3.567 10.285 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.125 4.715 11.319 1.00 0.00 H new ATOM 0 HG SER A 54 21.153 3.142 12.497 1.00 0.00 H new ATOM 807 N HIS A 55 16.755 3.653 12.570 1.00 0.00 N ATOM 808 CA HIS A 55 15.339 3.976 12.445 1.00 0.00 C ATOM 809 C HIS A 55 15.078 4.803 11.190 1.00 0.00 C ATOM 810 O HIS A 55 15.312 6.011 11.171 1.00 0.00 O ATOM 811 CB HIS A 55 14.857 4.738 13.680 1.00 0.00 C ATOM 812 CG HIS A 55 14.517 3.849 14.837 1.00 0.00 C ATOM 813 ND1 HIS A 55 13.752 2.709 14.711 1.00 0.00 N ATOM 814 CD2 HIS A 55 14.845 3.938 16.148 1.00 0.00 C ATOM 815 CE1 HIS A 55 13.622 2.136 15.894 1.00 0.00 C ATOM 816 NE2 HIS A 55 14.276 2.862 16.783 1.00 0.00 N ATOM 0 H HIS A 55 17.203 4.035 13.403 1.00 0.00 H new ATOM 0 HA HIS A 55 14.785 3.041 12.364 1.00 0.00 H new ATOM 0 HB2 HIS A 55 15.631 5.441 13.988 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.979 5.326 13.414 1.00 0.00 H new ATOM 0 HD2 HIS A 55 15.443 4.711 16.608 1.00 0.00 H new ATOM 0 HE1 HIS A 55 13.074 1.228 16.100 1.00 0.00 H new ATOM 0 HE2 HIS A 55 14.347 2.656 17.780 1.00 0.00 H new ATOM 824 N TYR A 56 14.594 4.143 10.143 1.00 0.00 N ATOM 825 CA TYR A 56 14.306 4.817 8.882 1.00 0.00 C ATOM 826 C TYR A 56 12.817 4.748 8.557 1.00 0.00 C ATOM 827 O TYR A 56 12.082 3.944 9.129 1.00 0.00 O ATOM 828 CB TYR A 56 15.117 4.189 7.748 1.00 0.00 C ATOM 829 CG TYR A 56 16.471 4.831 7.544 1.00 0.00 C ATOM 830 CD1 TYR A 56 16.580 6.172 7.199 1.00 0.00 C ATOM 831 CD2 TYR A 56 17.640 4.095 7.696 1.00 0.00 C ATOM 832 CE1 TYR A 56 17.815 6.763 7.012 1.00 0.00 C ATOM 833 CE2 TYR A 56 18.879 4.678 7.511 1.00 0.00 C ATOM 834 CZ TYR A 56 18.961 6.012 7.169 1.00 0.00 C ATOM 835 OH TYR A 56 20.194 6.595 6.984 1.00 0.00 O ATOM 0 H TYR A 56 14.393 3.143 10.143 1.00 0.00 H new ATOM 0 HA TYR A 56 14.589 5.865 8.985 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.255 3.128 7.956 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.547 4.261 6.822 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.684 6.763 7.075 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.579 3.050 7.963 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.882 7.807 6.744 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.778 4.093 7.633 1.00 0.00 H new ATOM 0 HH TYR A 56 20.897 5.929 7.134 1.00 0.00 H new ATOM 845 N GLU A 57 12.380 5.598 7.633 1.00 0.00 N ATOM 846 CA GLU A 57 10.979 5.635 7.230 1.00 0.00 C ATOM 847 C GLU A 57 10.830 6.226 5.831 1.00 0.00 C ATOM 848 O GLU A 57 11.406 7.269 5.522 1.00 0.00 O ATOM 849 CB GLU A 57 10.159 6.452 8.231 1.00 0.00 C ATOM 850 CG GLU A 57 10.781 7.795 8.575 1.00 0.00 C ATOM 851 CD GLU A 57 12.103 7.655 9.305 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.093 7.198 10.467 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.147 8.004 8.716 1.00 0.00 O ATOM 0 H GLU A 57 12.976 6.270 7.150 1.00 0.00 H new ATOM 0 HA GLU A 57 10.605 4.611 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.162 6.617 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.037 5.873 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.935 8.366 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.087 8.365 9.193 1.00 0.00 H new ATOM 860 N ILE A 58 10.053 5.551 4.990 1.00 0.00 N ATOM 861 CA ILE A 58 9.828 6.009 3.625 1.00 0.00 C ATOM 862 C ILE A 58 8.376 6.428 3.418 1.00 0.00 C ATOM 863 O ILE A 58 7.500 5.586 3.220 1.00 0.00 O ATOM 864 CB ILE A 58 10.187 4.918 2.599 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.655 4.513 2.745 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.905 5.407 1.186 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.927 3.076 2.360 1.00 0.00 C ATOM 0 H ILE A 58 9.569 4.686 5.230 1.00 0.00 H new ATOM 0 HA ILE A 58 10.478 6.870 3.470 1.00 0.00 H new ATOM 0 HB ILE A 58 9.567 4.042 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.268 5.169 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.965 4.669 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.164 4.625 0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.847 5.651 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.502 6.296 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.988 2.859 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.341 2.412 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.648 2.920 1.318 1.00 0.00 H new ATOM 879 N GLU A 59 8.130 7.733 3.464 1.00 0.00 N ATOM 880 CA GLU A 59 6.784 8.263 3.280 1.00 0.00 C ATOM 881 C GLU A 59 6.354 8.163 1.820 1.00 0.00 C ATOM 882 O GLU A 59 7.061 8.620 0.921 1.00 0.00 O ATOM 883 CB GLU A 59 6.718 9.720 3.744 1.00 0.00 C ATOM 884 CG GLU A 59 7.870 10.572 3.240 1.00 0.00 C ATOM 885 CD GLU A 59 9.055 10.568 4.186 1.00 0.00 C ATOM 886 OE1 GLU A 59 8.979 11.243 5.235 1.00 0.00 O ATOM 887 OE2 GLU A 59 10.059 9.892 3.879 1.00 0.00 O ATOM 0 H GLU A 59 8.844 8.443 3.627 1.00 0.00 H new ATOM 0 HA GLU A 59 6.101 7.665 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.779 10.158 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.708 9.745 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.188 10.206 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.525 11.596 3.100 1.00 0.00 H new ATOM 894 N ILE A 60 5.192 7.561 1.591 1.00 0.00 N ATOM 895 CA ILE A 60 4.668 7.401 0.240 1.00 0.00 C ATOM 896 C ILE A 60 4.510 8.750 -0.451 1.00 0.00 C ATOM 897 O ILE A 60 4.456 8.829 -1.679 1.00 0.00 O ATOM 898 CB ILE A 60 3.309 6.677 0.246 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.446 5.292 0.883 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.764 6.562 -1.170 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.127 4.575 1.059 1.00 0.00 C ATOM 0 H ILE A 60 4.595 7.176 2.323 1.00 0.00 H new ATOM 0 HA ILE A 60 5.390 6.797 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 60 2.606 7.261 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.103 4.680 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.927 5.394 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.803 6.048 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.633 7.559 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.465 5.997 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.301 3.601 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.475 5.166 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.653 4.441 0.087 1.00 0.00 H new ATOM 913 N VAL A 61 4.436 9.812 0.345 1.00 0.00 N ATOM 914 CA VAL A 61 4.287 11.160 -0.190 1.00 0.00 C ATOM 915 C VAL A 61 5.446 11.516 -1.115 1.00 0.00 C ATOM 916 O VAL A 61 5.283 12.279 -2.067 1.00 0.00 O ATOM 917 CB VAL A 61 4.205 12.206 0.937 1.00 0.00 C ATOM 918 CG1 VAL A 61 3.000 11.940 1.827 1.00 0.00 C ATOM 919 CG2 VAL A 61 5.489 12.211 1.753 1.00 0.00 C ATOM 0 H VAL A 61 4.477 9.765 1.363 1.00 0.00 H new ATOM 0 HA VAL A 61 3.356 11.174 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 61 4.083 13.191 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.959 12.689 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.089 11.991 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.088 10.949 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.414 12.956 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.643 11.226 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.331 12.454 1.105 1.00 0.00 H new ATOM 929 N HIS A 62 6.617 10.956 -0.829 1.00 0.00 N ATOM 930 CA HIS A 62 7.805 11.214 -1.636 1.00 0.00 C ATOM 931 C HIS A 62 7.910 10.212 -2.782 1.00 0.00 C ATOM 932 O HIS A 62 8.063 10.595 -3.942 1.00 0.00 O ATOM 933 CB HIS A 62 9.061 11.147 -0.768 1.00 0.00 C ATOM 934 CG HIS A 62 9.440 12.463 -0.161 1.00 0.00 C ATOM 935 ND1 HIS A 62 10.390 13.299 -0.709 1.00 0.00 N ATOM 936 CD2 HIS A 62 8.990 13.087 0.953 1.00 0.00 C ATOM 937 CE1 HIS A 62 10.509 14.379 0.042 1.00 0.00 C ATOM 938 NE2 HIS A 62 9.670 14.276 1.057 1.00 0.00 N ATOM 0 H HIS A 62 6.769 10.321 -0.045 1.00 0.00 H new ATOM 0 HA HIS A 62 7.718 12.215 -2.058 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.904 10.420 0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.891 10.782 -1.372 1.00 0.00 H new ATOM 0 HD1 HIS A 62 10.918 13.112 -1.561 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.237 12.719 1.633 1.00 0.00 H new ATOM 0 HE1 HIS A 62 11.179 15.206 -0.143 1.00 0.00 H new ATOM 946 N ILE A 63 7.828 8.928 -2.448 1.00 0.00 N ATOM 947 CA ILE A 63 7.914 7.872 -3.449 1.00 0.00 C ATOM 948 C ILE A 63 7.289 8.313 -4.768 1.00 0.00 C ATOM 949 O ILE A 63 6.250 8.974 -4.784 1.00 0.00 O ATOM 950 CB ILE A 63 7.220 6.584 -2.970 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.754 6.172 -1.596 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.423 5.465 -3.980 1.00 0.00 C ATOM 953 CD1 ILE A 63 7.261 4.817 -1.138 1.00 0.00 C ATOM 0 H ILE A 63 7.702 8.594 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 63 8.974 7.668 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 63 6.151 6.777 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.844 6.162 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.463 6.923 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.926 4.561 -3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.999 5.760 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.489 5.271 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.679 4.590 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.173 4.828 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.575 4.055 -1.851 1.00 0.00 H new ATOM 965 N SER A 64 7.927 7.941 -5.873 1.00 0.00 N ATOM 966 CA SER A 64 7.434 8.299 -7.198 1.00 0.00 C ATOM 967 C SER A 64 7.095 7.051 -8.007 1.00 0.00 C ATOM 968 O SER A 64 5.950 6.852 -8.416 1.00 0.00 O ATOM 969 CB SER A 64 8.475 9.137 -7.943 1.00 0.00 C ATOM 970 OG SER A 64 7.866 9.930 -8.948 1.00 0.00 O ATOM 0 H SER A 64 8.787 7.392 -5.877 1.00 0.00 H new ATOM 0 HA SER A 64 6.525 8.888 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.002 9.780 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.220 8.481 -8.394 1.00 0.00 H new ATOM 0 HG SER A 64 8.552 10.458 -9.409 1.00 0.00 H new ATOM 976 N THR A 65 8.100 6.211 -8.237 1.00 0.00 N ATOM 977 CA THR A 65 7.910 4.983 -8.998 1.00 0.00 C ATOM 978 C THR A 65 7.882 3.766 -8.080 1.00 0.00 C ATOM 979 O THR A 65 8.698 3.645 -7.166 1.00 0.00 O ATOM 980 CB THR A 65 9.023 4.794 -10.046 1.00 0.00 C ATOM 981 OG1 THR A 65 9.065 5.925 -10.924 1.00 0.00 O ATOM 982 CG2 THR A 65 8.796 3.526 -10.855 1.00 0.00 C ATOM 0 H THR A 65 9.054 6.359 -7.907 1.00 0.00 H new ATOM 0 HA THR A 65 6.951 5.073 -9.508 1.00 0.00 H new ATOM 0 HB THR A 65 9.974 4.705 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.776 5.799 -11.586 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.595 3.414 -11.588 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.793 2.664 -10.188 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.837 3.590 -11.370 1.00 0.00 H new ATOM 990 N VAL A 66 6.937 2.864 -8.329 1.00 0.00 N ATOM 991 CA VAL A 66 6.803 1.655 -7.525 1.00 0.00 C ATOM 992 C VAL A 66 6.449 0.454 -8.395 1.00 0.00 C ATOM 993 O VAL A 66 5.318 0.327 -8.863 1.00 0.00 O ATOM 994 CB VAL A 66 5.727 1.821 -6.436 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.552 0.527 -5.657 1.00 0.00 C ATOM 996 CG2 VAL A 66 6.086 2.969 -5.504 1.00 0.00 C ATOM 0 H VAL A 66 6.253 2.948 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 66 7.768 1.483 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 66 4.779 2.057 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.788 0.663 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.247 -0.269 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.496 0.257 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.315 3.072 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.044 2.764 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.156 3.894 -6.076 1.00 0.00 H new ATOM 1006 N GLN A 67 7.424 -0.424 -8.607 1.00 0.00 N ATOM 1007 CA GLN A 67 7.215 -1.616 -9.421 1.00 0.00 C ATOM 1008 C GLN A 67 7.802 -2.849 -8.742 1.00 0.00 C ATOM 1009 O GLN A 67 8.687 -2.739 -7.893 1.00 0.00 O ATOM 1010 CB GLN A 67 7.844 -1.432 -10.803 1.00 0.00 C ATOM 1011 CG GLN A 67 9.362 -1.510 -10.796 1.00 0.00 C ATOM 1012 CD GLN A 67 9.873 -2.936 -10.848 1.00 0.00 C ATOM 1013 OE1 GLN A 67 9.930 -3.549 -11.915 1.00 0.00 O ATOM 1014 NE2 GLN A 67 10.249 -3.473 -9.694 1.00 0.00 N ATOM 0 H GLN A 67 8.366 -0.333 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 67 6.141 -1.764 -9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.452 -2.195 -11.476 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.540 -0.466 -11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.754 -0.956 -11.649 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.743 -1.024 -9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.185 -2.929 -8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.602 -4.430 -9.668 1.00 0.00 H new ATOM 1023 N ILE A 68 7.304 -4.020 -9.122 1.00 0.00 N ATOM 1024 CA ILE A 68 7.780 -5.274 -8.550 1.00 0.00 C ATOM 1025 C ILE A 68 8.873 -5.892 -9.414 1.00 0.00 C ATOM 1026 O ILE A 68 8.760 -5.937 -10.640 1.00 0.00 O ATOM 1027 CB ILE A 68 6.633 -6.289 -8.387 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.609 -5.777 -7.372 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.182 -7.642 -7.957 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.290 -6.516 -7.420 1.00 0.00 C ATOM 0 H ILE A 68 6.571 -4.127 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 68 8.188 -5.038 -7.567 1.00 0.00 H new ATOM 0 HB ILE A 68 6.134 -6.409 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.028 -5.863 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.429 -4.717 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.360 -8.349 -7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.877 -8.009 -8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.702 -7.538 -7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.613 -6.100 -6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.849 -6.409 -8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.457 -7.572 -7.210 1.00 0.00 H new ATOM 1042 N LEU A 69 9.931 -6.370 -8.768 1.00 0.00 N ATOM 1043 CA LEU A 69 11.045 -6.989 -9.477 1.00 0.00 C ATOM 1044 C LEU A 69 10.707 -8.421 -9.879 1.00 0.00 C ATOM 1045 O LEU A 69 10.756 -9.337 -9.057 1.00 0.00 O ATOM 1046 CB LEU A 69 12.301 -6.975 -8.605 1.00 0.00 C ATOM 1047 CG LEU A 69 12.793 -5.598 -8.157 1.00 0.00 C ATOM 1048 CD1 LEU A 69 13.872 -5.736 -7.094 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.312 -4.805 -9.347 1.00 0.00 C ATOM 0 H LEU A 69 10.041 -6.341 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 69 11.232 -6.412 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.109 -7.576 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.105 -7.465 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 69 11.953 -5.056 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.210 -4.746 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.467 -6.264 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.714 -6.297 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.658 -3.828 -9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.139 -5.343 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.511 -4.675 -10.075 1.00 0.00 H new ATOM 1061 N THR A 70 10.366 -8.609 -11.150 1.00 0.00 N ATOM 1062 CA THR A 70 10.021 -9.929 -11.662 1.00 0.00 C ATOM 1063 C THR A 70 10.801 -10.248 -12.932 1.00 0.00 C ATOM 1064 O THR A 70 10.656 -9.567 -13.947 1.00 0.00 O ATOM 1065 CB THR A 70 8.513 -10.041 -11.958 1.00 0.00 C ATOM 1066 OG1 THR A 70 8.128 -9.053 -12.921 1.00 0.00 O ATOM 1067 CG2 THR A 70 7.697 -9.861 -10.686 1.00 0.00 C ATOM 0 H THR A 70 10.321 -7.863 -11.844 1.00 0.00 H new ATOM 0 HA THR A 70 10.286 -10.647 -10.886 1.00 0.00 H new ATOM 0 HB THR A 70 8.317 -11.035 -12.359 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.851 -8.930 -13.571 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.636 -9.944 -10.920 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.971 -10.632 -9.966 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.899 -8.878 -10.260 1.00 0.00 H new ATOM 1214 N ALA A 82 6.280 -12.934 -7.008 1.00 0.00 N ATOM 1215 CA ALA A 82 7.111 -11.760 -6.774 1.00 0.00 C ATOM 1216 C ALA A 82 8.365 -12.123 -5.986 1.00 0.00 C ATOM 1217 O ALA A 82 8.291 -12.470 -4.806 1.00 0.00 O ATOM 1218 CB ALA A 82 6.317 -10.688 -6.042 1.00 0.00 C ATOM 0 HA ALA A 82 7.423 -11.368 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.950 -9.817 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.455 -10.399 -6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.976 -11.079 -5.083 1.00 0.00 H new ATOM 1224 N THR A 83 9.517 -12.042 -6.644 1.00 0.00 N ATOM 1225 CA THR A 83 10.787 -12.364 -6.006 1.00 0.00 C ATOM 1226 C THR A 83 11.573 -11.100 -5.678 1.00 0.00 C ATOM 1227 O THR A 83 12.797 -11.132 -5.558 1.00 0.00 O ATOM 1228 CB THR A 83 11.650 -13.274 -6.899 1.00 0.00 C ATOM 1229 OG1 THR A 83 12.840 -13.659 -6.202 1.00 0.00 O ATOM 1230 CG2 THR A 83 12.021 -12.568 -8.195 1.00 0.00 C ATOM 0 H THR A 83 9.596 -11.756 -7.620 1.00 0.00 H new ATOM 0 HA THR A 83 10.551 -12.892 -5.082 1.00 0.00 H new ATOM 0 HB THR A 83 11.068 -14.163 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.208 -12.883 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.631 -13.231 -8.809 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.114 -12.303 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.585 -11.663 -7.968 1.00 0.00 H new ATOM 1238 N GLY A 84 10.862 -9.986 -5.533 1.00 0.00 N ATOM 1239 CA GLY A 84 11.511 -8.726 -5.219 1.00 0.00 C ATOM 1240 C GLY A 84 10.596 -7.535 -5.427 1.00 0.00 C ATOM 1241 O GLY A 84 9.512 -7.668 -5.994 1.00 0.00 O ATOM 0 H GLY A 84 9.848 -9.933 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.850 -8.744 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.398 -8.612 -5.842 1.00 0.00 H new ATOM 1245 N MET A 85 11.032 -6.369 -4.964 1.00 0.00 N ATOM 1246 CA MET A 85 10.244 -5.149 -5.101 1.00 0.00 C ATOM 1247 C MET A 85 11.147 -3.942 -5.333 1.00 0.00 C ATOM 1248 O MET A 85 12.320 -3.950 -4.959 1.00 0.00 O ATOM 1249 CB MET A 85 9.387 -4.928 -3.854 1.00 0.00 C ATOM 1250 CG MET A 85 8.675 -3.584 -3.836 1.00 0.00 C ATOM 1251 SD MET A 85 7.438 -3.437 -5.139 1.00 0.00 S ATOM 1252 CE MET A 85 6.001 -2.947 -4.188 1.00 0.00 C ATOM 0 H MET A 85 11.927 -6.242 -4.491 1.00 0.00 H new ATOM 0 HA MET A 85 9.591 -5.263 -5.966 1.00 0.00 H new ATOM 0 HB2 MET A 85 8.645 -5.724 -3.787 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.019 -5.007 -2.970 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.195 -3.444 -2.867 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.410 -2.786 -3.946 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.100 -3.330 -4.667 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.076 -3.354 -3.179 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.951 -1.859 -4.138 1.00 0.00 H new ATOM 1262 N PHE A 86 10.593 -2.905 -5.953 1.00 0.00 N ATOM 1263 CA PHE A 86 11.349 -1.690 -6.236 1.00 0.00 C ATOM 1264 C PHE A 86 10.555 -0.450 -5.836 1.00 0.00 C ATOM 1265 O PHE A 86 9.370 -0.330 -6.149 1.00 0.00 O ATOM 1266 CB PHE A 86 11.708 -1.623 -7.722 1.00 0.00 C ATOM 1267 CG PHE A 86 12.870 -0.717 -8.017 1.00 0.00 C ATOM 1268 CD1 PHE A 86 14.091 -0.910 -7.393 1.00 0.00 C ATOM 1269 CD2 PHE A 86 12.740 0.327 -8.918 1.00 0.00 C ATOM 1270 CE1 PHE A 86 15.161 -0.078 -7.662 1.00 0.00 C ATOM 1271 CE2 PHE A 86 13.806 1.162 -9.192 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.019 0.959 -8.563 1.00 0.00 C ATOM 0 H PHE A 86 9.623 -2.882 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 86 12.267 -1.717 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.941 -2.627 -8.077 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.838 -1.280 -8.283 1.00 0.00 H new ATOM 0 HD1 PHE A 86 14.208 -1.720 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 86 11.794 0.490 -9.412 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.108 -0.239 -7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.691 1.972 -9.897 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.854 1.610 -8.775 1.00 0.00 H new ATOM 1282 N LEU A 87 11.216 0.469 -5.142 1.00 0.00 N ATOM 1283 CA LEU A 87 10.573 1.701 -4.697 1.00 0.00 C ATOM 1284 C LEU A 87 11.517 2.891 -4.844 1.00 0.00 C ATOM 1285 O LEU A 87 12.593 2.918 -4.249 1.00 0.00 O ATOM 1286 CB LEU A 87 10.124 1.569 -3.241 1.00 0.00 C ATOM 1287 CG LEU A 87 9.456 0.247 -2.863 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.643 -0.041 -1.381 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.977 0.275 -3.220 1.00 0.00 C ATOM 0 H LEU A 87 12.197 0.385 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 87 9.699 1.873 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.994 1.710 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.430 2.380 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 87 9.931 -0.553 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.161 -0.986 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.707 -0.105 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.195 0.762 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.518 -0.674 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.488 1.085 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.865 0.434 -4.292 1.00 0.00 H new ATOM 1301 N GLN A 88 11.103 3.873 -5.639 1.00 0.00 N ATOM 1302 CA GLN A 88 11.911 5.066 -5.862 1.00 0.00 C ATOM 1303 C GLN A 88 11.340 6.260 -5.104 1.00 0.00 C ATOM 1304 O GLN A 88 10.123 6.434 -5.026 1.00 0.00 O ATOM 1305 CB GLN A 88 11.987 5.384 -7.356 1.00 0.00 C ATOM 1306 CG GLN A 88 12.881 4.434 -8.136 1.00 0.00 C ATOM 1307 CD GLN A 88 13.470 5.074 -9.378 1.00 0.00 C ATOM 1308 OE1 GLN A 88 14.689 5.184 -9.515 1.00 0.00 O ATOM 1309 NE2 GLN A 88 12.606 5.500 -10.291 1.00 0.00 N ATOM 0 H GLN A 88 10.214 3.866 -6.139 1.00 0.00 H new ATOM 0 HA GLN A 88 12.916 4.869 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.982 5.352 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.354 6.402 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.690 4.090 -7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.306 3.554 -8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.604 5.388 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.944 5.939 -11.147 1.00 0.00 H new ATOM 1318 N TYR A 89 12.225 7.079 -4.547 1.00 0.00 N ATOM 1319 CA TYR A 89 11.808 8.256 -3.793 1.00 0.00 C ATOM 1320 C TYR A 89 12.878 9.342 -3.844 1.00 0.00 C ATOM 1321 O TYR A 89 14.075 9.056 -3.802 1.00 0.00 O ATOM 1322 CB TYR A 89 11.517 7.879 -2.340 1.00 0.00 C ATOM 1323 CG TYR A 89 12.670 7.183 -1.652 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.802 7.889 -1.263 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.629 5.818 -1.393 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.858 7.258 -0.636 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.680 5.179 -0.764 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.792 5.902 -0.388 1.00 0.00 C ATOM 1329 OH TYR A 89 15.841 5.268 0.237 1.00 0.00 O ATOM 0 H TYR A 89 13.235 6.950 -4.603 1.00 0.00 H new ATOM 0 HA TYR A 89 10.898 8.646 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.264 8.781 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.642 7.230 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.857 8.950 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.761 5.247 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.730 7.822 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.631 4.118 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 89 16.292 5.897 0.838 1.00 0.00 H new ATOM 1339 N THR A 90 12.437 10.593 -3.936 1.00 0.00 N ATOM 1340 CA THR A 90 13.354 11.724 -3.993 1.00 0.00 C ATOM 1341 C THR A 90 13.592 12.311 -2.606 1.00 0.00 C ATOM 1342 O THR A 90 12.656 12.486 -1.826 1.00 0.00 O ATOM 1343 CB THR A 90 12.823 12.832 -4.922 1.00 0.00 C ATOM 1344 OG1 THR A 90 11.524 13.252 -4.490 1.00 0.00 O ATOM 1345 CG2 THR A 90 12.751 12.344 -6.361 1.00 0.00 C ATOM 0 H THR A 90 11.450 10.848 -3.973 1.00 0.00 H new ATOM 0 HA THR A 90 14.296 11.346 -4.391 1.00 0.00 H new ATOM 0 HB THR A 90 13.512 13.676 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.194 13.958 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.373 13.144 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.746 12.052 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 90 12.082 11.486 -6.421 1.00 0.00 H new ATOM 1353 N VAL A 91 14.851 12.613 -2.304 1.00 0.00 N ATOM 1354 CA VAL A 91 15.211 13.182 -1.011 1.00 0.00 C ATOM 1355 C VAL A 91 15.570 14.658 -1.141 1.00 0.00 C ATOM 1356 O VAL A 91 16.298 15.068 -2.044 1.00 0.00 O ATOM 1357 CB VAL A 91 16.398 12.430 -0.379 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.878 13.147 0.874 1.00 0.00 C ATOM 1359 CG2 VAL A 91 16.011 10.993 -0.065 1.00 0.00 C ATOM 0 H VAL A 91 15.638 12.473 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 91 14.339 13.079 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 91 17.219 12.413 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.717 12.601 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.197 14.157 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.065 13.197 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.861 10.476 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.175 10.986 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.720 10.485 -0.985 1.00 0.00 H new ATOM 1369 N PRO A 92 15.047 15.477 -0.216 1.00 0.00 N ATOM 1370 CA PRO A 92 15.299 16.921 -0.205 1.00 0.00 C ATOM 1371 C PRO A 92 16.739 17.255 0.171 1.00 0.00 C ATOM 1372 O PRO A 92 17.386 18.074 -0.480 1.00 0.00 O ATOM 1373 CB PRO A 92 14.333 17.441 0.863 1.00 0.00 C ATOM 1374 CG PRO A 92 14.103 16.278 1.764 1.00 0.00 C ATOM 1375 CD PRO A 92 14.170 15.056 0.890 1.00 0.00 C ATOM 0 HA PRO A 92 15.151 17.369 -1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.760 18.284 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.400 17.788 0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.858 16.238 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.134 16.352 2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.581 14.200 1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.183 14.763 0.532 1.00 0.00 H new ATOM 1383 N GLY A 93 17.234 16.615 1.226 1.00 0.00 N ATOM 1384 CA GLY A 93 18.594 16.859 1.670 1.00 0.00 C ATOM 1385 C GLY A 93 19.608 16.018 0.919 1.00 0.00 C ATOM 1386 O GLY A 93 20.588 15.548 1.498 1.00 0.00 O ATOM 0 H GLY A 93 16.718 15.932 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 93 18.832 17.914 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.669 16.646 2.736 1.00 0.00 H new ATOM 1390 N THR A 94 19.373 15.827 -0.376 1.00 0.00 N ATOM 1391 CA THR A 94 20.272 15.035 -1.206 1.00 0.00 C ATOM 1392 C THR A 94 20.156 15.432 -2.674 1.00 0.00 C ATOM 1393 O THR A 94 19.139 15.978 -3.100 1.00 0.00 O ATOM 1394 CB THR A 94 19.982 13.529 -1.069 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.196 13.110 0.283 1.00 0.00 O ATOM 1396 CG2 THR A 94 20.870 12.720 -2.003 1.00 0.00 C ATOM 0 H THR A 94 18.568 16.210 -0.872 1.00 0.00 H new ATOM 0 HA THR A 94 21.285 15.235 -0.856 1.00 0.00 H new ATOM 0 HB THR A 94 18.941 13.355 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.496 13.874 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.647 11.659 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 94 20.683 13.021 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 94 21.916 12.900 -1.756 1.00 0.00 H new ATOM 1404 N GLU A 95 21.205 15.153 -3.442 1.00 0.00 N ATOM 1405 CA GLU A 95 21.219 15.482 -4.862 1.00 0.00 C ATOM 1406 C GLU A 95 20.953 14.242 -5.711 1.00 0.00 C ATOM 1407 O GLU A 95 21.786 13.340 -5.789 1.00 0.00 O ATOM 1408 CB GLU A 95 22.564 16.101 -5.251 1.00 0.00 C ATOM 1409 CG GLU A 95 23.749 15.179 -5.017 1.00 0.00 C ATOM 1410 CD GLU A 95 25.030 15.937 -4.733 1.00 0.00 C ATOM 1411 OE1 GLU A 95 25.175 16.459 -3.607 1.00 0.00 O ATOM 1412 OE2 GLU A 95 25.890 16.009 -5.636 1.00 0.00 O ATOM 0 H GLU A 95 22.055 14.701 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 95 20.426 16.206 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.535 16.381 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 95 22.710 17.019 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 95 23.530 14.517 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.892 14.547 -5.894 1.00 0.00 H new ATOM 1419 N GLY A 96 19.785 14.205 -6.344 1.00 0.00 N ATOM 1420 CA GLY A 96 19.428 13.071 -7.178 1.00 0.00 C ATOM 1421 C GLY A 96 18.330 12.224 -6.566 1.00 0.00 C ATOM 1422 O GLY A 96 17.797 12.557 -5.507 1.00 0.00 O ATOM 0 H GLY A 96 19.079 14.940 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.104 13.430 -8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.311 12.453 -7.342 1.00 0.00 H new ATOM 1426 N VAL A 97 17.990 11.127 -7.234 1.00 0.00 N ATOM 1427 CA VAL A 97 16.947 10.230 -6.750 1.00 0.00 C ATOM 1428 C VAL A 97 17.546 8.958 -6.160 1.00 0.00 C ATOM 1429 O VAL A 97 18.548 8.442 -6.657 1.00 0.00 O ATOM 1430 CB VAL A 97 15.968 9.848 -7.876 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.898 8.901 -7.355 1.00 0.00 C ATOM 1432 CG2 VAL A 97 15.339 11.095 -8.480 1.00 0.00 C ATOM 0 H VAL A 97 18.421 10.838 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 97 16.404 10.767 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 97 16.525 9.333 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.216 8.642 -8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.369 7.995 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.342 9.386 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.650 10.807 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.795 11.639 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 97 16.120 11.734 -8.892 1.00 0.00 H new ATOM 1442 N THR A 98 16.926 8.456 -5.097 1.00 0.00 N ATOM 1443 CA THR A 98 17.398 7.245 -4.438 1.00 0.00 C ATOM 1444 C THR A 98 16.472 6.068 -4.722 1.00 0.00 C ATOM 1445 O THR A 98 15.253 6.226 -4.778 1.00 0.00 O ATOM 1446 CB THR A 98 17.509 7.440 -2.915 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.361 8.554 -2.624 1.00 0.00 O ATOM 1448 CG2 THR A 98 18.056 6.188 -2.246 1.00 0.00 C ATOM 0 H THR A 98 16.095 8.870 -4.674 1.00 0.00 H new ATOM 0 HA THR A 98 18.388 7.031 -4.842 1.00 0.00 H new ATOM 0 HB THR A 98 16.511 7.635 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.425 8.672 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 98 18.125 6.351 -1.170 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.389 5.349 -2.444 1.00 0.00 H new ATOM 0 HG23 THR A 98 19.046 5.966 -2.644 1.00 0.00 H new ATOM 1456 N GLN A 99 17.058 4.888 -4.900 1.00 0.00 N ATOM 1457 CA GLN A 99 16.284 3.685 -5.179 1.00 0.00 C ATOM 1458 C GLN A 99 16.372 2.700 -4.017 1.00 0.00 C ATOM 1459 O GLN A 99 17.315 2.741 -3.225 1.00 0.00 O ATOM 1460 CB GLN A 99 16.778 3.021 -6.465 1.00 0.00 C ATOM 1461 CG GLN A 99 16.919 3.985 -7.632 1.00 0.00 C ATOM 1462 CD GLN A 99 18.013 3.575 -8.598 1.00 0.00 C ATOM 1463 OE1 GLN A 99 17.744 2.981 -9.643 1.00 0.00 O ATOM 1464 NE2 GLN A 99 19.256 3.891 -8.254 1.00 0.00 N ATOM 0 H GLN A 99 18.066 4.740 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 99 15.241 3.976 -5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 99 17.743 2.551 -6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.086 2.226 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.971 4.044 -8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.132 4.983 -7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.433 4.384 -7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.033 3.641 -8.865 1.00 0.00 H new ATOM 1473 N LEU A 100 15.386 1.816 -3.922 1.00 0.00 N ATOM 1474 CA LEU A 100 15.352 0.819 -2.857 1.00 0.00 C ATOM 1475 C LEU A 100 14.958 -0.549 -3.403 1.00 0.00 C ATOM 1476 O LEU A 100 13.853 -0.730 -3.917 1.00 0.00 O ATOM 1477 CB LEU A 100 14.371 1.246 -1.763 1.00 0.00 C ATOM 1478 CG LEU A 100 14.699 0.774 -0.346 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.575 1.792 0.367 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.421 0.524 0.441 1.00 0.00 C ATOM 0 H LEU A 100 14.599 1.769 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 100 16.353 0.745 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.315 2.335 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.380 0.877 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 100 15.250 -0.164 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.798 1.439 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.505 1.922 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.051 2.746 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.673 0.189 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.844 1.447 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.830 -0.243 -0.059 1.00 0.00 H new ATOM 1492 N LYS A 101 15.867 -1.511 -3.287 1.00 0.00 N ATOM 1493 CA LYS A 101 15.614 -2.865 -3.766 1.00 0.00 C ATOM 1494 C LYS A 101 15.250 -3.792 -2.610 1.00 0.00 C ATOM 1495 O LYS A 101 15.796 -3.675 -1.512 1.00 0.00 O ATOM 1496 CB LYS A 101 16.843 -3.406 -4.500 1.00 0.00 C ATOM 1497 CG LYS A 101 16.505 -4.367 -5.626 1.00 0.00 C ATOM 1498 CD LYS A 101 16.335 -3.639 -6.949 1.00 0.00 C ATOM 1499 CE LYS A 101 17.647 -3.559 -7.714 1.00 0.00 C ATOM 1500 NZ LYS A 101 17.608 -2.514 -8.774 1.00 0.00 N ATOM 0 H LYS A 101 16.786 -1.378 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 101 14.772 -2.828 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.411 -2.569 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.490 -3.912 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 101 17.295 -5.112 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.587 -4.903 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.590 -4.154 -7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.957 -2.633 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.459 -3.342 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.863 -4.527 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.549 -2.083 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.331 -2.947 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.917 -1.782 -8.514 1.00 0.00 H new ATOM 1514 N LEU A 102 14.326 -4.712 -2.865 1.00 0.00 N ATOM 1515 CA LEU A 102 13.891 -5.660 -1.845 1.00 0.00 C ATOM 1516 C LEU A 102 13.909 -7.087 -2.386 1.00 0.00 C ATOM 1517 O LEU A 102 13.526 -7.334 -3.530 1.00 0.00 O ATOM 1518 CB LEU A 102 12.485 -5.305 -1.358 1.00 0.00 C ATOM 1519 CG LEU A 102 12.288 -3.872 -0.863 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.827 -3.620 -0.526 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.171 -3.599 0.346 1.00 0.00 C ATOM 0 H LEU A 102 13.864 -4.822 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 102 14.585 -5.599 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.784 -5.486 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.219 -5.987 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 102 12.578 -3.189 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.706 -2.595 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.217 -3.774 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.509 -4.311 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.018 -2.574 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.912 -4.289 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.217 -3.738 0.072 1.00 0.00 H new ATOM 1533 N THR A 103 14.354 -8.023 -1.554 1.00 0.00 N ATOM 1534 CA THR A 103 14.421 -9.425 -1.947 1.00 0.00 C ATOM 1535 C THR A 103 14.063 -10.341 -0.782 1.00 0.00 C ATOM 1536 O THR A 103 14.444 -10.086 0.361 1.00 0.00 O ATOM 1537 CB THR A 103 15.823 -9.797 -2.466 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.237 -8.864 -3.470 1.00 0.00 O ATOM 1539 CG2 THR A 103 15.831 -11.205 -3.040 1.00 0.00 C ATOM 0 H THR A 103 14.673 -7.836 -0.604 1.00 0.00 H new ATOM 0 HA THR A 103 13.696 -9.563 -2.749 1.00 0.00 H new ATOM 0 HB THR A 103 16.519 -9.760 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.130 -9.106 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.831 -11.445 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 103 15.544 -11.916 -2.265 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.124 -11.265 -3.867 1.00 0.00 H new ATOM 1547 N VAL A 104 13.329 -11.409 -1.078 1.00 0.00 N ATOM 1548 CA VAL A 104 12.922 -12.364 -0.054 1.00 0.00 C ATOM 1549 C VAL A 104 14.116 -13.158 0.463 1.00 0.00 C ATOM 1550 O VAL A 104 14.925 -13.661 -0.317 1.00 0.00 O ATOM 1551 CB VAL A 104 11.861 -13.343 -0.591 1.00 0.00 C ATOM 1552 CG1 VAL A 104 11.535 -14.402 0.451 1.00 0.00 C ATOM 1553 CG2 VAL A 104 10.606 -12.592 -1.010 1.00 0.00 C ATOM 0 H VAL A 104 13.004 -11.635 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 104 12.492 -11.787 0.765 1.00 0.00 H new ATOM 0 HB VAL A 104 12.267 -13.845 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 104 10.784 -15.084 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.438 -14.960 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.149 -13.921 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.867 -13.299 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.195 -12.062 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 104 10.855 -11.876 -1.793 1.00 0.00 H new ATOM 1563 N VAL A 105 14.219 -13.268 1.783 1.00 0.00 N ATOM 1564 CA VAL A 105 15.314 -14.003 2.405 1.00 0.00 C ATOM 1565 C VAL A 105 14.829 -15.331 2.977 1.00 0.00 C ATOM 1566 O VAL A 105 13.632 -15.614 2.986 1.00 0.00 O ATOM 1567 CB VAL A 105 15.973 -13.183 3.530 1.00 0.00 C ATOM 1568 CG1 VAL A 105 16.617 -11.925 2.967 1.00 0.00 C ATOM 1569 CG2 VAL A 105 14.953 -12.835 4.603 1.00 0.00 C ATOM 0 H VAL A 105 13.558 -12.858 2.443 1.00 0.00 H new ATOM 0 HA VAL A 105 16.051 -14.193 1.625 1.00 0.00 H new ATOM 0 HB VAL A 105 16.755 -13.789 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 105 17.077 -11.358 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.379 -12.201 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 105 15.857 -11.313 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 105 15.436 -12.256 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 105 14.147 -12.248 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 105 14.544 -13.752 5.027 1.00 0.00 H new ATOM 1659 N ARG A 112 8.114 -17.835 2.112 1.00 0.00 N ATOM 1660 CA ARG A 112 8.100 -16.844 1.043 1.00 0.00 C ATOM 1661 C ARG A 112 6.711 -16.233 0.887 1.00 0.00 C ATOM 1662 O ARG A 112 6.567 -15.015 0.778 1.00 0.00 O ATOM 1663 CB ARG A 112 8.540 -17.481 -0.277 1.00 0.00 C ATOM 1664 CG ARG A 112 9.290 -16.528 -1.193 1.00 0.00 C ATOM 1665 CD ARG A 112 9.020 -16.834 -2.657 1.00 0.00 C ATOM 1666 NE ARG A 112 9.982 -17.788 -3.203 1.00 0.00 N ATOM 1667 CZ ARG A 112 11.241 -17.478 -3.493 1.00 0.00 C ATOM 1668 NH1 ARG A 112 11.687 -16.246 -3.289 1.00 0.00 N ATOM 1669 NH2 ARG A 112 12.056 -18.401 -3.987 1.00 0.00 N ATOM 0 HA ARG A 112 8.800 -16.051 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.175 -18.340 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 112 7.661 -17.858 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 112 8.993 -15.502 -0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 112 10.360 -16.599 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 112 8.012 -17.234 -2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 112 9.059 -15.910 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 112 9.670 -18.745 -3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 112 11.063 -15.534 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.654 -16.010 -3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 112 11.716 -19.350 -4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.022 -18.162 -4.209 1.00 0.00 H new ATOM 1683 N ARG A 113 5.692 -17.086 0.876 1.00 0.00 N ATOM 1684 CA ARG A 113 4.315 -16.630 0.731 1.00 0.00 C ATOM 1685 C ARG A 113 4.098 -15.313 1.471 1.00 0.00 C ATOM 1686 O ARG A 113 3.671 -14.322 0.881 1.00 0.00 O ATOM 1687 CB ARG A 113 3.346 -17.690 1.258 1.00 0.00 C ATOM 1688 CG ARG A 113 3.254 -18.923 0.374 1.00 0.00 C ATOM 1689 CD ARG A 113 1.879 -19.568 0.460 1.00 0.00 C ATOM 1690 NE ARG A 113 0.883 -18.839 -0.321 1.00 0.00 N ATOM 1691 CZ ARG A 113 -0.331 -19.308 -0.585 1.00 0.00 C ATOM 1692 NH1 ARG A 113 -0.698 -20.499 -0.132 1.00 0.00 N ATOM 1693 NH2 ARG A 113 -1.182 -18.585 -1.302 1.00 0.00 N ATOM 0 H ARG A 113 5.794 -18.097 0.966 1.00 0.00 H new ATOM 0 HA ARG A 113 4.122 -16.467 -0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.659 -17.992 2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.354 -17.248 1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.464 -18.648 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.015 -19.644 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.938 -20.596 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.563 -19.610 1.502 1.00 0.00 H new ATOM 0 HE ARG A 113 1.134 -17.919 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.047 -21.057 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.631 -20.857 -0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.904 -17.668 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.114 -18.946 -1.504 1.00 0.00 H new ATOM 1707 N GLN A 114 4.394 -15.314 2.767 1.00 0.00 N ATOM 1708 CA GLN A 114 4.229 -14.120 3.588 1.00 0.00 C ATOM 1709 C GLN A 114 4.775 -12.888 2.873 1.00 0.00 C ATOM 1710 O GLN A 114 4.033 -11.955 2.569 1.00 0.00 O ATOM 1711 CB GLN A 114 4.936 -14.298 4.933 1.00 0.00 C ATOM 1712 CG GLN A 114 4.956 -13.038 5.782 1.00 0.00 C ATOM 1713 CD GLN A 114 3.618 -12.326 5.802 1.00 0.00 C ATOM 1714 OE1 GLN A 114 2.568 -12.948 5.637 1.00 0.00 O ATOM 1715 NE2 GLN A 114 3.648 -11.014 6.005 1.00 0.00 N ATOM 0 H GLN A 114 4.749 -16.127 3.270 1.00 0.00 H new ATOM 0 HA GLN A 114 3.163 -13.974 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.442 -15.094 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.961 -14.622 4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.241 -13.296 6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.719 -12.359 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.541 -10.539 6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.778 -10.482 6.029 1.00 0.00 H new ATOM 1724 N ALA A 115 6.078 -12.893 2.608 1.00 0.00 N ATOM 1725 CA ALA A 115 6.723 -11.777 1.927 1.00 0.00 C ATOM 1726 C ALA A 115 6.078 -11.515 0.570 1.00 0.00 C ATOM 1727 O ALA A 115 5.529 -10.440 0.330 1.00 0.00 O ATOM 1728 CB ALA A 115 8.211 -12.048 1.764 1.00 0.00 C ATOM 0 H ALA A 115 6.707 -13.657 2.855 1.00 0.00 H new ATOM 0 HA ALA A 115 6.593 -10.885 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 115 8.680 -11.207 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.667 -12.177 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.353 -12.954 1.175 1.00 0.00 H new ATOM 1734 N VAL A 116 6.150 -12.504 -0.315 1.00 0.00 N ATOM 1735 CA VAL A 116 5.573 -12.381 -1.648 1.00 0.00 C ATOM 1736 C VAL A 116 4.237 -11.648 -1.603 1.00 0.00 C ATOM 1737 O VAL A 116 3.963 -10.784 -2.435 1.00 0.00 O ATOM 1738 CB VAL A 116 5.369 -13.760 -2.301 1.00 0.00 C ATOM 1739 CG1 VAL A 116 4.782 -13.609 -3.696 1.00 0.00 C ATOM 1740 CG2 VAL A 116 6.681 -14.528 -2.346 1.00 0.00 C ATOM 0 H VAL A 116 6.603 -13.400 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 116 6.279 -11.806 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 116 4.663 -14.328 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.645 -14.594 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.819 -13.102 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.461 -13.022 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.518 -15.500 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.412 -13.966 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.055 -14.669 -1.332 1.00 0.00 H new ATOM 1750 N ALA A 117 3.408 -12.000 -0.625 1.00 0.00 N ATOM 1751 CA ALA A 117 2.101 -11.375 -0.470 1.00 0.00 C ATOM 1752 C ALA A 117 2.237 -9.883 -0.187 1.00 0.00 C ATOM 1753 O ALA A 117 1.461 -9.072 -0.695 1.00 0.00 O ATOM 1754 CB ALA A 117 1.319 -12.056 0.643 1.00 0.00 C ATOM 0 H ALA A 117 3.619 -12.715 0.071 1.00 0.00 H new ATOM 0 HA ALA A 117 1.556 -11.493 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.345 -11.579 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.183 -13.110 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.869 -11.968 1.580 1.00 0.00 H new ATOM 1760 N TRP A 118 3.225 -9.527 0.626 1.00 0.00 N ATOM 1761 CA TRP A 118 3.461 -8.131 0.977 1.00 0.00 C ATOM 1762 C TRP A 118 3.842 -7.317 -0.254 1.00 0.00 C ATOM 1763 O TRP A 118 3.337 -6.214 -0.463 1.00 0.00 O ATOM 1764 CB TRP A 118 4.562 -8.029 2.033 1.00 0.00 C ATOM 1765 CG TRP A 118 4.696 -6.656 2.620 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.215 -6.229 3.825 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.354 -5.531 2.027 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.534 -4.906 4.016 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.233 -4.455 2.928 1.00 0.00 C ATOM 1770 CE3 TRP A 118 6.035 -5.328 0.824 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.767 -3.197 2.661 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.564 -4.079 0.560 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.429 -3.027 1.476 1.00 0.00 C ATOM 0 H TRP A 118 3.876 -10.185 1.055 1.00 0.00 H new ATOM 0 HA TRP A 118 2.536 -7.723 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.355 -8.740 2.833 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.513 -8.320 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.665 -6.841 4.525 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.290 -4.350 4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.146 -6.133 0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.662 -2.384 3.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 7.090 -3.911 -0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.856 -2.063 1.242 1.00 0.00 H new ATOM 1784 N LEU A 119 4.737 -7.868 -1.068 1.00 0.00 N ATOM 1785 CA LEU A 119 5.187 -7.192 -2.280 1.00 0.00 C ATOM 1786 C LEU A 119 4.020 -6.949 -3.232 1.00 0.00 C ATOM 1787 O LEU A 119 3.794 -5.825 -3.679 1.00 0.00 O ATOM 1788 CB LEU A 119 6.266 -8.021 -2.979 1.00 0.00 C ATOM 1789 CG LEU A 119 7.433 -8.479 -2.103 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.156 -9.651 -2.748 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.395 -7.328 -1.852 1.00 0.00 C ATOM 0 H LEU A 119 5.165 -8.780 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 119 5.607 -6.227 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.795 -8.903 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.667 -7.435 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 119 7.035 -8.808 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.983 -9.963 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.462 -10.482 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.542 -9.349 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.219 -7.672 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.787 -6.967 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 119 7.869 -6.518 -1.346 1.00 0.00 H new ATOM 1803 N VAL A 120 3.280 -8.010 -3.537 1.00 0.00 N ATOM 1804 CA VAL A 120 2.135 -7.912 -4.434 1.00 0.00 C ATOM 1805 C VAL A 120 1.069 -6.982 -3.863 1.00 0.00 C ATOM 1806 O VAL A 120 0.472 -6.188 -4.589 1.00 0.00 O ATOM 1807 CB VAL A 120 1.507 -9.294 -4.696 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.039 -9.925 -3.394 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.357 -9.177 -5.685 1.00 0.00 C ATOM 0 H VAL A 120 3.453 -8.948 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 120 2.504 -7.505 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 120 2.267 -9.942 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.598 -10.900 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.889 -10.045 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.294 -9.282 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.075 -10.162 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.406 -8.513 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.727 -8.772 -6.627 1.00 0.00 H new ATOM 1819 N ALA A 121 0.836 -7.088 -2.559 1.00 0.00 N ATOM 1820 CA ALA A 121 -0.155 -6.255 -1.891 1.00 0.00 C ATOM 1821 C ALA A 121 0.243 -4.783 -1.937 1.00 0.00 C ATOM 1822 O ALA A 121 -0.599 -3.909 -2.143 1.00 0.00 O ATOM 1823 CB ALA A 121 -0.341 -6.708 -0.450 1.00 0.00 C ATOM 0 H ALA A 121 1.320 -7.743 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.101 -6.365 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -1.084 -6.077 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.679 -7.744 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.607 -6.628 0.082 1.00 0.00 H new ATOM 1829 N MET A 122 1.530 -4.517 -1.743 1.00 0.00 N ATOM 1830 CA MET A 122 2.039 -3.150 -1.763 1.00 0.00 C ATOM 1831 C MET A 122 1.730 -2.475 -3.095 1.00 0.00 C ATOM 1832 O MET A 122 1.270 -1.333 -3.132 1.00 0.00 O ATOM 1833 CB MET A 122 3.548 -3.141 -1.512 1.00 0.00 C ATOM 1834 CG MET A 122 4.143 -1.745 -1.438 1.00 0.00 C ATOM 1835 SD MET A 122 3.750 -0.903 0.107 1.00 0.00 S ATOM 1836 CE MET A 122 3.716 0.804 -0.437 1.00 0.00 C ATOM 0 H MET A 122 2.240 -5.229 -1.570 1.00 0.00 H new ATOM 0 HA MET A 122 1.543 -2.592 -0.969 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.756 -3.666 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.044 -3.697 -2.308 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.226 -1.810 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.773 -1.152 -2.275 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.698 1.462 0.432 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.604 1.014 -1.033 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.825 0.976 -1.041 1.00 0.00 H new ATOM 1846 N HIS A 123 1.985 -3.187 -4.189 1.00 0.00 N ATOM 1847 CA HIS A 123 1.733 -2.656 -5.523 1.00 0.00 C ATOM 1848 C HIS A 123 0.251 -2.348 -5.715 1.00 0.00 C ATOM 1849 O HIS A 123 -0.132 -1.199 -5.933 1.00 0.00 O ATOM 1850 CB HIS A 123 2.202 -3.649 -6.587 1.00 0.00 C ATOM 1851 CG HIS A 123 1.781 -3.281 -7.977 1.00 0.00 C ATOM 1852 ND1 HIS A 123 1.184 -4.171 -8.843 1.00 0.00 N ATOM 1853 CD2 HIS A 123 1.873 -2.109 -8.649 1.00 0.00 C ATOM 1854 CE1 HIS A 123 0.928 -3.564 -9.988 1.00 0.00 C ATOM 1855 NE2 HIS A 123 1.336 -2.312 -9.896 1.00 0.00 N ATOM 0 H HIS A 123 2.366 -4.133 -4.177 1.00 0.00 H new ATOM 0 HA HIS A 123 2.295 -1.728 -5.630 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.289 -3.720 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.810 -4.638 -6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 123 2.291 -1.187 -8.274 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.464 -4.015 -10.852 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.264 -1.609 -10.632 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.578 -3.383 -5.633 1.00 0.00 N ATOM 1864 CA LYS A 124 -2.019 -3.225 -5.797 1.00 0.00 C ATOM 1865 C LYS A 124 -2.550 -2.115 -4.895 1.00 0.00 C ATOM 1866 O LYS A 124 -3.194 -1.177 -5.364 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.736 -4.539 -5.482 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.846 -5.473 -6.675 1.00 0.00 C ATOM 1869 CD LYS A 124 -1.480 -5.957 -7.131 1.00 0.00 C ATOM 1870 CE LYS A 124 -1.567 -6.707 -8.452 1.00 0.00 C ATOM 1871 NZ LYS A 124 -0.220 -7.083 -8.966 1.00 0.00 N ATOM 0 H LYS A 124 -0.277 -4.341 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.214 -2.952 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -2.204 -5.050 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.737 -4.317 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -3.467 -6.329 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.344 -4.958 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -0.808 -5.105 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -1.050 -6.608 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -2.169 -7.606 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -2.077 -6.087 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -0.294 -7.358 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 0.425 -6.272 -8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 0.151 -7.883 -8.414 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.275 -2.228 -3.600 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.722 -1.232 -2.634 1.00 0.00 C ATOM 1887 C ALA A 125 -2.112 0.134 -2.932 1.00 0.00 C ATOM 1888 O ALA A 125 -2.717 1.168 -2.651 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.371 -1.673 -1.221 1.00 0.00 C ATOM 0 H ALA A 125 -1.745 -3.000 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.805 -1.142 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.711 -0.920 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.860 -2.623 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.291 -1.792 -1.135 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.911 0.129 -3.500 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.220 1.368 -3.836 1.00 0.00 C ATOM 1897 C ALA A 126 -0.880 2.060 -5.024 1.00 0.00 C ATOM 1898 O ALA A 126 -0.930 3.288 -5.092 1.00 0.00 O ATOM 1899 CB ALA A 126 1.246 1.091 -4.132 1.00 0.00 C ATOM 0 H ALA A 126 -0.396 -0.719 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.286 2.036 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.750 2.025 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.717 0.648 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.323 0.401 -4.973 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.386 1.263 -5.960 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.044 1.798 -7.146 1.00 0.00 C ATOM 1907 C LYS A 127 -3.204 2.710 -6.761 1.00 0.00 C ATOM 1908 O LYS A 127 -3.216 3.894 -7.103 1.00 0.00 O ATOM 1909 CB LYS A 127 -2.551 0.657 -8.031 1.00 0.00 C ATOM 1910 CG LYS A 127 -1.504 0.118 -8.990 1.00 0.00 C ATOM 1911 CD LYS A 127 -2.142 -0.594 -10.170 1.00 0.00 C ATOM 1912 CE LYS A 127 -2.408 -2.059 -9.859 1.00 0.00 C ATOM 1913 NZ LYS A 127 -3.714 -2.251 -9.169 1.00 0.00 N ATOM 0 H LYS A 127 -1.353 0.244 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.313 2.385 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -2.902 -0.156 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.410 1.007 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.884 0.938 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.845 -0.571 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -3.078 -0.101 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.488 -0.518 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.398 -2.634 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.606 -2.449 -9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -4.020 -3.240 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.610 -2.026 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -4.426 -1.622 -9.592 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.176 2.154 -6.046 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.340 2.919 -5.612 1.00 0.00 C ATOM 1929 C LEU A 128 -4.931 4.307 -5.131 1.00 0.00 C ATOM 1930 O LEU A 128 -5.527 5.312 -5.521 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.076 2.176 -4.496 1.00 0.00 C ATOM 1932 CG LEU A 128 -6.922 0.979 -4.931 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.100 0.003 -3.778 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.274 1.443 -5.453 1.00 0.00 C ATOM 0 H LEU A 128 -4.181 1.177 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.008 3.033 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.340 1.831 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.724 2.885 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.400 0.464 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.705 -0.842 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.124 -0.355 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.599 0.506 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.863 0.578 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.802 1.982 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.127 2.102 -6.309 1.00 0.00 H new ATOM 1946 N LEU A 129 -3.910 4.356 -4.282 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.419 5.622 -3.749 1.00 0.00 C ATOM 1948 C LEU A 129 -3.135 6.614 -4.873 1.00 0.00 C ATOM 1949 O LEU A 129 -3.752 7.677 -4.947 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.151 5.393 -2.924 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.360 5.114 -1.435 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -1.040 4.765 -0.766 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -3.005 6.313 -0.753 1.00 0.00 C ATOM 0 H LEU A 129 -3.406 3.534 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.193 6.041 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.606 4.554 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.514 6.272 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 129 -3.030 4.260 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.209 4.570 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.618 3.877 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.345 5.598 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -3.146 6.097 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.360 7.185 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.972 6.517 -1.214 1.00 0.00 H new ATOM 1965 N TYR A 130 -2.200 6.258 -5.746 1.00 0.00 N ATOM 1966 CA TYR A 130 -1.835 7.116 -6.867 1.00 0.00 C ATOM 1967 C TYR A 130 -2.916 7.097 -7.943 1.00 0.00 C ATOM 1968 O TYR A 130 -3.533 8.121 -8.236 1.00 0.00 O ATOM 1969 CB TYR A 130 -0.498 6.671 -7.463 1.00 0.00 C ATOM 1970 CG TYR A 130 0.476 6.139 -6.436 1.00 0.00 C ATOM 1971 CD1 TYR A 130 0.583 6.726 -5.182 1.00 0.00 C ATOM 1972 CD2 TYR A 130 1.288 5.047 -6.720 1.00 0.00 C ATOM 1973 CE1 TYR A 130 1.472 6.243 -4.241 1.00 0.00 C ATOM 1974 CE2 TYR A 130 2.178 4.557 -5.785 1.00 0.00 C ATOM 1975 CZ TYR A 130 2.267 5.159 -4.547 1.00 0.00 C ATOM 1976 OH TYR A 130 3.153 4.674 -3.612 1.00 0.00 O ATOM 0 H TYR A 130 -1.681 5.381 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 130 -1.738 8.136 -6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -0.682 5.900 -8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.042 7.515 -7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.039 7.574 -4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.222 4.574 -7.689 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.544 6.712 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.801 3.707 -6.022 1.00 0.00 H new ATOM 0 HH TYR A 130 3.458 3.782 -3.882 1.00 0.00 H new