USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 36 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.87! C(o=-4.9!,f=-1.9!) USER MOD Single : A 25 SER OG : rot -125:sc= 0.223 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 69:sc= 1.05 USER MOD Single : A 34 CYS SG : rot 21:sc= -0.202 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -131:sc= -3.09! (180deg=-5.6!) USER MOD Single : A 43 THR OG1 : rot -150:sc= -0.407 USER MOD Single : A 44 LYS NZ :NH3+ -116:sc= 0.119 (180deg=-0.276) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -1.52 (180deg=-2.12!) USER MOD Single : A 50 CYS SG : rot 179:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.122 (180deg=-0.195) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -136:sc= -1.08! USER MOD Single : A 62 MET CE :methyl -170:sc= -0.538 (180deg=-0.796) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -0.241 (180deg=-1.15!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.173 F(o=-0.84,f=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= -2.34 (180deg=-5.05!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -7.184 -1.570 6.592 1.00 0.00 N ATOM 144 CA ASN A 12 -8.083 -0.799 5.734 1.00 0.00 C ATOM 145 C ASN A 12 -7.318 0.305 5.010 1.00 0.00 C ATOM 146 O ASN A 12 -6.593 0.039 4.053 1.00 0.00 O ATOM 147 CB ASN A 12 -9.206 -0.184 6.570 1.00 0.00 C ATOM 148 CG ASN A 12 -10.006 -1.284 7.258 1.00 0.00 C ATOM 149 OD1 ASN A 12 -10.598 -2.132 6.590 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.061 -1.322 8.561 1.00 0.00 N ATOM 0 HA ASN A 12 -8.513 -1.473 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.787 0.493 7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.862 0.410 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.595 -2.055 9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.570 -0.619 9.113 1.00 0.00 H new ATOM 157 N LEU A 13 -7.490 1.549 5.466 1.00 0.00 N ATOM 158 CA LEU A 13 -6.818 2.701 4.851 1.00 0.00 C ATOM 159 C LEU A 13 -5.906 3.383 5.871 1.00 0.00 C ATOM 160 O LEU A 13 -6.100 3.246 7.078 1.00 0.00 O ATOM 161 CB LEU A 13 -7.858 3.719 4.337 1.00 0.00 C ATOM 162 CG LEU A 13 -9.111 3.002 3.814 1.00 0.00 C ATOM 163 CD1 LEU A 13 -10.172 4.043 3.449 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.762 2.184 2.568 1.00 0.00 C ATOM 0 H LEU A 13 -8.088 1.786 6.258 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.222 2.343 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.133 4.402 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.420 4.323 3.542 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.492 2.336 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.064 3.539 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.428 4.627 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.781 4.706 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.656 1.678 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.378 2.847 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.003 1.443 2.820 1.00 0.00 H new ATOM 176 N ALA A 14 -4.921 4.127 5.378 1.00 0.00 N ATOM 177 CA ALA A 14 -4.002 4.833 6.263 1.00 0.00 C ATOM 178 C ALA A 14 -4.769 5.853 7.095 1.00 0.00 C ATOM 179 O ALA A 14 -5.920 5.618 7.464 1.00 0.00 O ATOM 180 CB ALA A 14 -2.920 5.544 5.447 1.00 0.00 C ATOM 0 H ALA A 14 -4.740 4.256 4.383 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.527 4.109 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.241 6.067 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.361 4.810 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.386 6.262 4.772 1.00 0.00 H new ATOM 186 N ASN A 15 -4.137 6.987 7.383 1.00 0.00 N ATOM 187 CA ASN A 15 -4.789 8.028 8.169 1.00 0.00 C ATOM 188 C ASN A 15 -3.826 9.180 8.454 1.00 0.00 C ATOM 189 O ASN A 15 -4.064 9.984 9.355 1.00 0.00 O ATOM 190 CB ASN A 15 -5.296 7.438 9.495 1.00 0.00 C ATOM 191 CG ASN A 15 -4.313 6.393 10.009 1.00 0.00 C ATOM 192 OD1 ASN A 15 -3.159 6.362 9.582 1.00 0.00 O ATOM 193 ND2 ASN A 15 -4.702 5.528 10.905 1.00 0.00 N ATOM 0 H ASN A 15 -3.186 7.207 7.088 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.631 8.415 7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.416 8.231 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.277 6.986 9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.050 4.825 11.252 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.659 5.555 11.258 1.00 0.00 H new ATOM 200 N ARG A 16 -2.737 9.256 7.692 1.00 0.00 N ATOM 201 CA ARG A 16 -1.748 10.319 7.891 1.00 0.00 C ATOM 202 C ARG A 16 -1.110 10.727 6.564 1.00 0.00 C ATOM 203 O ARG A 16 -1.811 11.091 5.620 1.00 0.00 O ATOM 204 CB ARG A 16 -0.672 9.847 8.874 1.00 0.00 C ATOM 205 CG ARG A 16 -1.309 9.623 10.254 1.00 0.00 C ATOM 206 CD ARG A 16 -0.228 9.375 11.320 1.00 0.00 C ATOM 207 NE ARG A 16 -0.728 9.757 12.635 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.894 11.033 12.964 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.609 11.971 12.104 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.344 11.349 14.149 1.00 0.00 N ATOM 0 H ARG A 16 -2.516 8.604 6.939 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.255 11.191 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.216 8.923 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.124 10.589 8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.906 10.493 10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.988 8.771 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.058 8.323 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.668 9.948 11.082 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.954 9.031 13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.258 11.725 11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.737 12.951 12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.568 10.616 14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.471 12.329 14.402 1.00 0.00 H new ATOM 224 N LYS A 17 0.220 10.682 6.497 1.00 0.00 N ATOM 225 CA LYS A 17 0.926 11.068 5.275 1.00 0.00 C ATOM 226 C LYS A 17 2.306 10.425 5.201 1.00 0.00 C ATOM 227 O LYS A 17 3.241 10.849 5.881 1.00 0.00 O ATOM 228 CB LYS A 17 1.073 12.588 5.223 1.00 0.00 C ATOM 229 CG LYS A 17 1.867 12.979 3.968 1.00 0.00 C ATOM 230 CD LYS A 17 1.621 14.449 3.619 1.00 0.00 C ATOM 231 CE LYS A 17 2.347 15.343 4.622 1.00 0.00 C ATOM 232 NZ LYS A 17 2.182 16.771 4.228 1.00 0.00 N ATOM 0 H LYS A 17 0.824 10.386 7.264 1.00 0.00 H new ATOM 0 HA LYS A 17 0.340 10.719 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.090 13.059 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.584 12.946 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.931 12.811 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.573 12.346 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.974 14.657 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.552 14.663 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.947 15.183 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.405 15.084 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.677 17.379 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.583 16.918 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.171 17.014 4.217 1.00 0.00 H new ATOM 246 N ILE A 18 2.427 9.413 4.352 1.00 0.00 N ATOM 247 CA ILE A 18 3.696 8.719 4.169 1.00 0.00 C ATOM 248 C ILE A 18 4.700 9.680 3.500 1.00 0.00 C ATOM 249 O ILE A 18 4.337 10.368 2.546 1.00 0.00 O ATOM 250 CB ILE A 18 3.445 7.476 3.280 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.937 6.298 4.145 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.704 7.061 2.494 1.00 0.00 C ATOM 253 CD1 ILE A 18 4.101 5.527 4.788 1.00 0.00 C ATOM 0 H ILE A 18 1.663 9.054 3.779 1.00 0.00 H new ATOM 0 HA ILE A 18 4.109 8.398 5.125 1.00 0.00 H new ATOM 0 HB ILE A 18 2.682 7.743 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.276 6.676 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.347 5.620 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.480 6.185 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.017 7.882 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.506 6.822 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.707 4.707 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.748 5.127 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.675 6.200 5.425 1.00 0.00 H new ATOM 265 N PRO A 19 5.939 9.757 3.952 1.00 0.00 N ATOM 266 CA PRO A 19 6.945 10.678 3.329 1.00 0.00 C ATOM 267 C PRO A 19 7.169 10.349 1.849 1.00 0.00 C ATOM 268 O PRO A 19 7.188 9.181 1.461 1.00 0.00 O ATOM 269 CB PRO A 19 8.221 10.457 4.169 1.00 0.00 C ATOM 270 CG PRO A 19 8.028 9.125 4.813 1.00 0.00 C ATOM 271 CD PRO A 19 6.534 9.007 5.078 1.00 0.00 C ATOM 0 HA PRO A 19 6.622 11.719 3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.113 10.468 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.345 11.243 4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.375 8.322 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.597 9.052 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.206 7.967 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.259 9.438 6.041 1.00 0.00 H new ATOM 279 N LEU A 20 7.318 11.387 1.028 1.00 0.00 N ATOM 280 CA LEU A 20 7.516 11.193 -0.407 1.00 0.00 C ATOM 281 C LEU A 20 8.910 10.623 -0.695 1.00 0.00 C ATOM 282 O LEU A 20 9.070 9.750 -1.549 1.00 0.00 O ATOM 283 CB LEU A 20 7.320 12.534 -1.161 1.00 0.00 C ATOM 284 CG LEU A 20 5.868 12.673 -1.663 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.923 12.889 -0.476 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.766 13.867 -2.616 1.00 0.00 C ATOM 0 H LEU A 20 7.306 12.362 1.328 1.00 0.00 H new ATOM 0 HA LEU A 20 6.774 10.476 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.562 13.367 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.008 12.586 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 20 5.585 11.761 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.900 12.986 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.989 12.037 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.208 13.797 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.739 13.964 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.056 14.777 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.430 13.711 -3.467 1.00 0.00 H new ATOM 298 N GLN A 21 9.909 11.132 0.012 1.00 0.00 N ATOM 299 CA GLN A 21 11.287 10.685 -0.180 1.00 0.00 C ATOM 300 C GLN A 21 11.396 9.157 -0.193 1.00 0.00 C ATOM 301 O GLN A 21 12.154 8.591 -0.982 1.00 0.00 O ATOM 302 CB GLN A 21 12.168 11.252 0.939 1.00 0.00 C ATOM 303 CG GLN A 21 11.434 11.136 2.275 1.00 0.00 C ATOM 304 CD GLN A 21 12.352 11.565 3.414 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.413 10.855 3.687 1.00 0.00 O flip ATOM 306 NE2 GLN A 21 12.097 12.573 4.073 1.00 0.00 N flip ATOM 0 H GLN A 21 9.794 11.854 0.723 1.00 0.00 H new ATOM 0 HA GLN A 21 11.625 11.051 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.112 10.710 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.409 12.295 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.540 11.759 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.104 10.109 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.268 13.126 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.715 12.855 4.834 1.00 0.00 H new ATOM 315 N ARG A 22 10.661 8.497 0.696 1.00 0.00 N ATOM 316 CA ARG A 22 10.711 7.035 0.794 1.00 0.00 C ATOM 317 C ARG A 22 9.750 6.364 -0.190 1.00 0.00 C ATOM 318 O ARG A 22 10.131 5.430 -0.896 1.00 0.00 O ATOM 319 CB ARG A 22 10.371 6.619 2.229 1.00 0.00 C ATOM 320 CG ARG A 22 11.518 7.036 3.182 1.00 0.00 C ATOM 321 CD ARG A 22 10.966 7.403 4.572 1.00 0.00 C ATOM 322 NE ARG A 22 11.950 7.073 5.598 1.00 0.00 N ATOM 323 CZ ARG A 22 13.128 7.687 5.647 1.00 0.00 C ATOM 324 NH1 ARG A 22 13.409 8.630 4.791 1.00 0.00 N ATOM 325 NH2 ARG A 22 14.001 7.350 6.555 1.00 0.00 N ATOM 0 H ARG A 22 10.026 8.944 1.357 1.00 0.00 H new ATOM 0 HA ARG A 22 11.718 6.708 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.438 7.087 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.219 5.541 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.235 6.220 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.055 7.887 2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.730 8.466 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.038 6.863 4.759 1.00 0.00 H new ATOM 0 HE ARG A 22 11.730 6.358 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.725 8.897 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.313 9.101 4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.780 6.615 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.905 7.821 6.593 1.00 0.00 H new ATOM 339 N LEU A 23 8.508 6.837 -0.228 1.00 0.00 N ATOM 340 CA LEU A 23 7.497 6.271 -1.127 1.00 0.00 C ATOM 341 C LEU A 23 8.121 5.943 -2.492 1.00 0.00 C ATOM 342 O LEU A 23 8.939 6.705 -3.008 1.00 0.00 O ATOM 343 CB LEU A 23 6.326 7.281 -1.236 1.00 0.00 C ATOM 344 CG LEU A 23 5.551 7.202 -2.571 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.387 7.780 -3.744 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.089 5.750 -2.865 1.00 0.00 C ATOM 0 H LEU A 23 8.174 7.608 0.350 1.00 0.00 H new ATOM 0 HA LEU A 23 7.109 5.332 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.632 7.107 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.718 8.291 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 23 4.657 7.818 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.814 7.710 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.623 8.825 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.312 7.212 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.547 5.725 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.959 5.097 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.436 5.406 -2.063 1.00 0.00 H new ATOM 358 N GLU A 24 7.748 4.790 -3.057 1.00 0.00 N ATOM 359 CA GLU A 24 8.291 4.346 -4.351 1.00 0.00 C ATOM 360 C GLU A 24 7.255 4.485 -5.468 1.00 0.00 C ATOM 361 O GLU A 24 7.434 5.275 -6.394 1.00 0.00 O ATOM 362 CB GLU A 24 8.733 2.883 -4.246 1.00 0.00 C ATOM 363 CG GLU A 24 9.189 2.377 -5.618 1.00 0.00 C ATOM 364 CD GLU A 24 10.004 1.097 -5.459 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.576 0.235 -4.710 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.044 0.998 -6.089 1.00 0.00 O ATOM 0 H GLU A 24 7.074 4.147 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 24 9.144 4.979 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.546 2.790 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.910 2.271 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.322 2.189 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.788 3.140 -6.115 1.00 0.00 H new ATOM 373 N SER A 25 6.171 3.710 -5.376 1.00 0.00 N ATOM 374 CA SER A 25 5.110 3.752 -6.387 1.00 0.00 C ATOM 375 C SER A 25 3.753 3.445 -5.756 1.00 0.00 C ATOM 376 O SER A 25 3.609 3.481 -4.534 1.00 0.00 O ATOM 377 CB SER A 25 5.403 2.735 -7.491 1.00 0.00 C ATOM 378 OG SER A 25 4.598 3.029 -8.624 1.00 0.00 O ATOM 0 H SER A 25 6.005 3.049 -4.617 1.00 0.00 H new ATOM 0 HA SER A 25 5.080 4.755 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.458 2.768 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.197 1.725 -7.136 1.00 0.00 H new ATOM 0 HG SER A 25 4.081 2.234 -8.873 1.00 0.00 H new ATOM 384 N TYR A 26 2.757 3.141 -6.596 1.00 0.00 N ATOM 385 CA TYR A 26 1.411 2.828 -6.102 1.00 0.00 C ATOM 386 C TYR A 26 0.782 1.686 -6.909 1.00 0.00 C ATOM 387 O TYR A 26 1.260 1.342 -7.990 1.00 0.00 O ATOM 388 CB TYR A 26 0.520 4.078 -6.172 1.00 0.00 C ATOM 389 CG TYR A 26 0.120 4.356 -7.603 1.00 0.00 C ATOM 390 CD1 TYR A 26 -1.049 3.788 -8.121 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.916 5.181 -8.408 1.00 0.00 C ATOM 392 CE1 TYR A 26 -1.423 4.043 -9.446 1.00 0.00 C ATOM 393 CE2 TYR A 26 0.542 5.436 -9.732 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.628 4.868 -10.251 1.00 0.00 C ATOM 395 OH TYR A 26 -0.997 5.120 -11.556 1.00 0.00 O ATOM 0 H TYR A 26 2.855 3.105 -7.611 1.00 0.00 H new ATOM 0 HA TYR A 26 1.494 2.506 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.370 3.933 -5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.053 4.936 -5.763 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.663 3.153 -7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.818 5.620 -8.007 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.324 3.604 -9.847 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.156 6.071 -10.354 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.337 5.712 -11.974 1.00 0.00 H new ATOM 405 N ARG A 27 -0.293 1.106 -6.373 1.00 0.00 N ATOM 406 CA ARG A 27 -0.980 0.003 -7.050 1.00 0.00 C ATOM 407 C ARG A 27 -2.320 -0.299 -6.377 1.00 0.00 C ATOM 408 O ARG A 27 -2.442 -0.218 -5.157 1.00 0.00 O ATOM 409 CB ARG A 27 -0.108 -1.258 -7.020 1.00 0.00 C ATOM 410 CG ARG A 27 -0.674 -2.325 -7.992 1.00 0.00 C ATOM 411 CD ARG A 27 -0.567 -3.721 -7.369 1.00 0.00 C ATOM 412 NE ARG A 27 0.789 -3.959 -6.891 1.00 0.00 N ATOM 413 CZ ARG A 27 1.790 -4.176 -7.739 1.00 0.00 C ATOM 414 NH1 ARG A 27 1.566 -4.179 -9.024 1.00 0.00 N ATOM 415 NH2 ARG A 27 2.996 -4.385 -7.286 1.00 0.00 N ATOM 0 H ARG A 27 -0.705 1.378 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.161 0.302 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.915 -1.008 -7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.073 -1.660 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.716 -2.101 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.126 -2.296 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.272 -3.813 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.838 -4.477 -8.106 1.00 0.00 H new ATOM 0 HE ARG A 27 0.974 -3.959 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.623 -4.015 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.333 -4.345 -9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.171 -4.382 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.764 -4.551 -7.937 1.00 0.00 H new ATOM 429 N ARG A 28 -3.321 -0.654 -7.180 1.00 0.00 N ATOM 430 CA ARG A 28 -4.647 -0.967 -6.645 1.00 0.00 C ATOM 431 C ARG A 28 -4.683 -2.391 -6.079 1.00 0.00 C ATOM 432 O ARG A 28 -3.855 -3.232 -6.430 1.00 0.00 O ATOM 433 CB ARG A 28 -5.706 -0.808 -7.757 1.00 0.00 C ATOM 434 CG ARG A 28 -6.288 0.613 -7.739 1.00 0.00 C ATOM 435 CD ARG A 28 -7.020 0.886 -9.054 1.00 0.00 C ATOM 436 NE ARG A 28 -7.502 2.262 -9.088 1.00 0.00 N ATOM 437 CZ ARG A 28 -8.448 2.639 -9.941 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.961 1.772 -10.771 1.00 0.00 N ATOM 439 NH2 ARG A 28 -8.863 3.876 -9.951 1.00 0.00 N ATOM 0 H ARG A 28 -3.242 -0.732 -8.194 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.869 -0.274 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.256 -1.012 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.504 -1.537 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.974 0.725 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.490 1.342 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.350 0.707 -9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.858 0.197 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.105 2.947 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.635 0.805 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.687 2.061 -11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.461 4.554 -9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.589 4.165 -10.606 1.00 0.00 H new ATOM 453 N ILE A 29 -5.656 -2.648 -5.197 1.00 0.00 N ATOM 454 CA ILE A 29 -5.808 -3.970 -4.576 1.00 0.00 C ATOM 455 C ILE A 29 -6.852 -4.790 -5.340 1.00 0.00 C ATOM 456 O ILE A 29 -6.507 -5.705 -6.088 1.00 0.00 O ATOM 457 CB ILE A 29 -6.219 -3.820 -3.083 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.789 -2.428 -2.583 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.547 -4.916 -2.242 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.887 -2.326 -1.055 1.00 0.00 C ATOM 0 H ILE A 29 -6.348 -1.961 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.853 -4.493 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.300 -3.923 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.765 -2.227 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.418 -1.665 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.840 -4.804 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.860 -5.895 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.464 -4.827 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.576 -1.331 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.917 -2.502 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.238 -3.073 -0.598 1.00 0.00 H new ATOM 472 N THR A 30 -8.126 -4.448 -5.148 1.00 0.00 N ATOM 473 CA THR A 30 -9.218 -5.149 -5.824 1.00 0.00 C ATOM 474 C THR A 30 -8.939 -6.648 -5.916 1.00 0.00 C ATOM 475 O THR A 30 -8.561 -7.156 -6.972 1.00 0.00 O ATOM 476 CB THR A 30 -9.414 -4.574 -7.230 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.403 -5.079 -8.092 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.327 -3.048 -7.177 1.00 0.00 C ATOM 0 H THR A 30 -8.427 -3.693 -4.532 1.00 0.00 H new ATOM 0 HA THR A 30 -10.126 -5.005 -5.239 1.00 0.00 H new ATOM 0 HB THR A 30 -10.394 -4.866 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.552 -6.035 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.467 -2.641 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.104 -2.662 -6.517 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.349 -2.752 -6.798 1.00 0.00 H new ATOM 526 N CYS A 34 -9.711 -7.109 1.370 1.00 0.00 N ATOM 527 CA CYS A 34 -9.367 -5.707 1.171 1.00 0.00 C ATOM 528 C CYS A 34 -10.627 -4.891 0.860 1.00 0.00 C ATOM 529 O CYS A 34 -11.561 -5.409 0.247 1.00 0.00 O ATOM 530 CB CYS A 34 -8.369 -5.585 0.017 1.00 0.00 C ATOM 531 SG CYS A 34 -7.111 -6.877 0.177 1.00 0.00 S ATOM 0 HA CYS A 34 -8.915 -5.318 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.886 -5.681 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.900 -4.601 0.029 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.568 -7.838 0.924 1.00 0.00 H new ATOM 536 N PRO A 35 -10.684 -3.642 1.264 1.00 0.00 N ATOM 537 CA PRO A 35 -11.876 -2.777 1.005 1.00 0.00 C ATOM 538 C PRO A 35 -11.973 -2.362 -0.463 1.00 0.00 C ATOM 539 O PRO A 35 -11.248 -2.878 -1.313 1.00 0.00 O ATOM 540 CB PRO A 35 -11.641 -1.563 1.916 1.00 0.00 C ATOM 541 CG PRO A 35 -10.155 -1.467 2.038 1.00 0.00 C ATOM 542 CD PRO A 35 -9.637 -2.908 2.004 1.00 0.00 C ATOM 0 HA PRO A 35 -12.816 -3.289 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.063 -0.655 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.111 -1.701 2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.733 -0.881 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.870 -0.971 2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.672 -2.974 1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.502 -3.308 3.009 1.00 0.00 H new ATOM 550 N GLN A 36 -12.874 -1.427 -0.747 1.00 0.00 N ATOM 551 CA GLN A 36 -13.059 -0.946 -2.111 1.00 0.00 C ATOM 552 C GLN A 36 -11.711 -0.669 -2.770 1.00 0.00 C ATOM 553 O GLN A 36 -10.672 -0.696 -2.110 1.00 0.00 O ATOM 554 CB GLN A 36 -13.895 0.335 -2.102 1.00 0.00 C ATOM 555 CG GLN A 36 -13.299 1.328 -1.101 1.00 0.00 C ATOM 556 CD GLN A 36 -13.929 2.703 -1.295 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.232 3.665 -1.621 1.00 0.00 O ATOM 558 NE2 GLN A 36 -15.212 2.855 -1.112 1.00 0.00 N ATOM 0 H GLN A 36 -13.484 -0.990 -0.056 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.578 -1.717 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.915 0.775 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.926 0.107 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.472 0.979 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.219 1.391 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.787 2.057 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.640 3.772 -1.239 1.00 0.00 H new ATOM 567 N LYS A 37 -11.735 -0.394 -4.070 1.00 0.00 N ATOM 568 CA LYS A 37 -10.503 -0.106 -4.796 1.00 0.00 C ATOM 569 C LYS A 37 -9.702 0.956 -4.043 1.00 0.00 C ATOM 570 O LYS A 37 -10.229 2.011 -3.691 1.00 0.00 O ATOM 571 CB LYS A 37 -10.814 0.370 -6.243 1.00 0.00 C ATOM 572 CG LYS A 37 -12.273 0.856 -6.351 1.00 0.00 C ATOM 573 CD LYS A 37 -13.218 -0.341 -6.591 1.00 0.00 C ATOM 574 CE LYS A 37 -13.327 -0.635 -8.092 1.00 0.00 C ATOM 575 NZ LYS A 37 -14.290 -1.752 -8.311 1.00 0.00 N ATOM 0 H LYS A 37 -12.583 -0.364 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.911 -1.019 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.135 1.176 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.644 -0.446 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.559 1.377 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.366 1.571 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.844 -1.220 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.205 -0.123 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.660 0.256 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.349 -0.900 -8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.364 -1.952 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.954 -2.602 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.224 -1.482 -7.942 1.00 0.00 H new ATOM 589 N ALA A 38 -8.427 0.662 -3.793 1.00 0.00 N ATOM 590 CA ALA A 38 -7.560 1.592 -3.072 1.00 0.00 C ATOM 591 C ALA A 38 -6.114 1.441 -3.544 1.00 0.00 C ATOM 592 O ALA A 38 -5.629 0.331 -3.731 1.00 0.00 O ATOM 593 CB ALA A 38 -7.665 1.320 -1.559 1.00 0.00 C ATOM 0 H ALA A 38 -7.974 -0.207 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.879 2.614 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.019 2.012 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.697 1.458 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.354 0.296 -1.351 1.00 0.00 H new ATOM 599 N VAL A 39 -5.426 2.561 -3.731 1.00 0.00 N ATOM 600 CA VAL A 39 -4.039 2.515 -4.180 1.00 0.00 C ATOM 601 C VAL A 39 -3.115 2.210 -3.003 1.00 0.00 C ATOM 602 O VAL A 39 -3.303 2.727 -1.901 1.00 0.00 O ATOM 603 CB VAL A 39 -3.654 3.845 -4.825 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.694 4.216 -5.885 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.603 4.938 -3.758 1.00 0.00 C ATOM 0 H VAL A 39 -5.798 3.499 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.933 1.722 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.674 3.750 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.421 5.165 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.729 3.438 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.674 4.309 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.328 5.886 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.582 5.034 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.863 4.675 -3.003 1.00 0.00 H new ATOM 615 N ILE A 40 -2.127 1.349 -3.243 1.00 0.00 N ATOM 616 CA ILE A 40 -1.177 0.944 -2.202 1.00 0.00 C ATOM 617 C ILE A 40 0.183 1.598 -2.422 1.00 0.00 C ATOM 618 O ILE A 40 0.947 1.167 -3.283 1.00 0.00 O ATOM 619 CB ILE A 40 -1.022 -0.588 -2.230 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.267 -1.239 -1.624 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.212 -1.026 -1.428 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.256 -2.741 -1.924 1.00 0.00 C ATOM 0 H ILE A 40 -1.961 0.916 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.560 1.266 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.899 -0.902 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.290 -1.073 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.167 -0.782 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.301 -2.112 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.105 -0.575 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.106 -0.703 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.143 -3.205 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.254 -2.897 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.363 -3.192 -1.491 1.00 0.00 H new ATOM 634 N PHE A 41 0.499 2.614 -1.623 1.00 0.00 N ATOM 635 CA PHE A 41 1.792 3.275 -1.748 1.00 0.00 C ATOM 636 C PHE A 41 2.862 2.424 -1.076 1.00 0.00 C ATOM 637 O PHE A 41 2.800 2.169 0.126 1.00 0.00 O ATOM 638 CB PHE A 41 1.750 4.656 -1.085 1.00 0.00 C ATOM 639 CG PHE A 41 0.726 5.521 -1.780 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.924 5.921 -3.111 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.416 5.934 -1.092 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.024 6.733 -3.746 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.357 6.742 -1.722 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.164 7.145 -3.050 1.00 0.00 C ATOM 0 H PHE A 41 -0.110 2.991 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 41 2.026 3.397 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.500 4.556 -0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.732 5.125 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.807 5.603 -3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.569 5.626 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.125 7.040 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.239 7.060 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.896 7.774 -3.536 1.00 0.00 H new ATOM 654 N LYS A 42 3.842 1.986 -1.861 1.00 0.00 N ATOM 655 CA LYS A 42 4.929 1.158 -1.339 1.00 0.00 C ATOM 656 C LYS A 42 6.185 1.998 -1.170 1.00 0.00 C ATOM 657 O LYS A 42 6.542 2.775 -2.053 1.00 0.00 O ATOM 658 CB LYS A 42 5.207 -0.002 -2.297 1.00 0.00 C ATOM 659 CG LYS A 42 5.175 0.505 -3.742 1.00 0.00 C ATOM 660 CD LYS A 42 5.821 -0.531 -4.669 1.00 0.00 C ATOM 661 CE LYS A 42 5.208 -1.914 -4.419 1.00 0.00 C ATOM 662 NZ LYS A 42 5.853 -2.534 -3.227 1.00 0.00 N ATOM 0 H LYS A 42 3.907 2.189 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 42 4.635 0.757 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.179 -0.443 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.463 -0.786 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.146 0.690 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.706 1.454 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.674 -0.242 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.897 -0.565 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.134 -1.824 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.348 -2.549 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.145 -3.505 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.688 -1.977 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.177 -2.553 -2.437 1.00 0.00 H new ATOM 676 N THR A 43 6.848 1.841 -0.028 1.00 0.00 N ATOM 677 CA THR A 43 8.069 2.596 0.262 1.00 0.00 C ATOM 678 C THR A 43 9.245 1.639 0.458 1.00 0.00 C ATOM 679 O THR A 43 9.091 0.423 0.349 1.00 0.00 O ATOM 680 CB THR A 43 7.870 3.443 1.531 1.00 0.00 C ATOM 681 OG1 THR A 43 8.353 2.725 2.652 1.00 0.00 O ATOM 682 CG2 THR A 43 6.384 3.752 1.737 1.00 0.00 C ATOM 0 H THR A 43 6.563 1.200 0.712 1.00 0.00 H new ATOM 0 HA THR A 43 8.285 3.255 -0.579 1.00 0.00 H new ATOM 0 HB THR A 43 8.417 4.379 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.843 2.981 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.259 4.352 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.005 4.305 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.830 2.819 1.842 1.00 0.00 H new ATOM 690 N LYS A 44 10.419 2.197 0.741 1.00 0.00 N ATOM 691 CA LYS A 44 11.616 1.382 0.942 1.00 0.00 C ATOM 692 C LYS A 44 11.656 0.816 2.359 1.00 0.00 C ATOM 693 O LYS A 44 12.530 0.016 2.692 1.00 0.00 O ATOM 694 CB LYS A 44 12.867 2.227 0.696 1.00 0.00 C ATOM 695 CG LYS A 44 12.775 2.886 -0.683 1.00 0.00 C ATOM 696 CD LYS A 44 13.967 3.824 -0.881 1.00 0.00 C ATOM 697 CE LYS A 44 13.901 4.448 -2.275 1.00 0.00 C ATOM 698 NZ LYS A 44 12.713 5.344 -2.363 1.00 0.00 N ATOM 0 H LYS A 44 10.568 3.202 0.836 1.00 0.00 H new ATOM 0 HA LYS A 44 11.588 0.553 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.962 2.989 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.758 1.602 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.765 2.124 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.842 3.443 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.958 4.605 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.900 3.273 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.811 5.013 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.837 3.667 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.048 4.970 -3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.243 5.390 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.018 6.298 -2.644 1.00 0.00 H new ATOM 712 N LEU A 45 10.709 1.237 3.190 1.00 0.00 N ATOM 713 CA LEU A 45 10.650 0.765 4.570 1.00 0.00 C ATOM 714 C LEU A 45 10.757 -0.761 4.606 1.00 0.00 C ATOM 715 O LEU A 45 11.855 -1.313 4.550 1.00 0.00 O ATOM 716 CB LEU A 45 9.330 1.228 5.228 1.00 0.00 C ATOM 717 CG LEU A 45 9.473 2.618 5.894 1.00 0.00 C ATOM 718 CD1 LEU A 45 10.119 2.482 7.278 1.00 0.00 C ATOM 719 CD2 LEU A 45 10.314 3.574 5.028 1.00 0.00 C ATOM 0 H LEU A 45 9.976 1.899 2.936 1.00 0.00 H new ATOM 0 HA LEU A 45 11.486 1.186 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.543 1.266 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.021 0.497 5.976 1.00 0.00 H new ATOM 0 HG LEU A 45 8.472 3.037 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.213 3.468 7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.497 1.848 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.107 2.034 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.394 4.540 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.310 3.155 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.834 3.704 4.058 1.00 0.00 H new ATOM 731 N ALA A 46 9.615 -1.437 4.701 1.00 0.00 N ATOM 732 CA ALA A 46 9.612 -2.895 4.748 1.00 0.00 C ATOM 733 C ALA A 46 8.190 -3.445 4.654 1.00 0.00 C ATOM 734 O ALA A 46 7.970 -4.645 4.817 1.00 0.00 O ATOM 735 CB ALA A 46 10.260 -3.373 6.049 1.00 0.00 C ATOM 0 H ALA A 46 8.692 -1.005 4.746 1.00 0.00 H new ATOM 0 HA ALA A 46 10.182 -3.264 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.255 -4.463 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.288 -3.013 6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.699 -2.984 6.899 1.00 0.00 H new ATOM 741 N LYS A 47 7.226 -2.564 4.389 1.00 0.00 N ATOM 742 CA LYS A 47 5.829 -2.984 4.276 1.00 0.00 C ATOM 743 C LYS A 47 5.050 -2.044 3.356 1.00 0.00 C ATOM 744 O LYS A 47 5.498 -0.937 3.057 1.00 0.00 O ATOM 745 CB LYS A 47 5.175 -3.056 5.676 1.00 0.00 C ATOM 746 CG LYS A 47 4.700 -1.673 6.167 1.00 0.00 C ATOM 747 CD LYS A 47 5.872 -0.685 6.230 1.00 0.00 C ATOM 748 CE LYS A 47 6.959 -1.207 7.183 1.00 0.00 C ATOM 749 NZ LYS A 47 6.329 -1.918 8.332 1.00 0.00 N ATOM 0 H LYS A 47 7.383 -1.566 4.250 1.00 0.00 H new ATOM 0 HA LYS A 47 5.803 -3.980 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.327 -3.740 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.890 -3.467 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.930 -1.289 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.246 -1.769 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.290 -0.542 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.518 0.288 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.629 -1.882 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.565 -0.377 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.016 -1.999 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.499 -1.383 8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.032 -2.869 8.032 1.00 0.00 H new ATOM 763 N ASP A 48 3.879 -2.500 2.911 1.00 0.00 N ATOM 764 CA ASP A 48 3.031 -1.707 2.021 1.00 0.00 C ATOM 765 C ASP A 48 1.976 -0.941 2.820 1.00 0.00 C ATOM 766 O ASP A 48 1.547 -1.387 3.884 1.00 0.00 O ATOM 767 CB ASP A 48 2.344 -2.629 1.010 1.00 0.00 C ATOM 768 CG ASP A 48 3.324 -3.695 0.531 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.514 -3.425 0.539 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.870 -4.765 0.161 1.00 0.00 O ATOM 0 H ASP A 48 3.496 -3.414 3.152 1.00 0.00 H new ATOM 0 HA ASP A 48 3.657 -0.987 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.474 -3.101 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.982 -2.048 0.162 1.00 0.00 H new ATOM 775 N ILE A 49 1.566 0.216 2.298 1.00 0.00 N ATOM 776 CA ILE A 49 0.559 1.055 2.963 1.00 0.00 C ATOM 777 C ILE A 49 -0.719 1.119 2.126 1.00 0.00 C ATOM 778 O ILE A 49 -0.663 1.147 0.902 1.00 0.00 O ATOM 779 CB ILE A 49 1.117 2.469 3.141 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.552 2.396 3.691 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.225 3.264 4.098 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.590 1.651 5.033 1.00 0.00 C ATOM 0 H ILE A 49 1.913 0.596 1.418 1.00 0.00 H new ATOM 0 HA ILE A 49 0.324 0.621 3.935 1.00 0.00 H new ATOM 0 HB ILE A 49 1.133 2.973 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.196 1.890 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.948 3.403 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.628 4.269 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.784 3.324 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.195 2.765 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.616 1.614 5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.965 2.173 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.216 0.636 4.896 1.00 0.00 H new ATOM 794 N CYS A 50 -1.872 1.143 2.797 1.00 0.00 N ATOM 795 CA CYS A 50 -3.169 1.199 2.107 1.00 0.00 C ATOM 796 C CYS A 50 -3.732 2.620 2.122 1.00 0.00 C ATOM 797 O CYS A 50 -3.467 3.392 3.043 1.00 0.00 O ATOM 798 CB CYS A 50 -4.158 0.267 2.805 1.00 0.00 C ATOM 799 SG CYS A 50 -3.463 -1.402 2.885 1.00 0.00 S ATOM 0 H CYS A 50 -1.938 1.125 3.815 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.022 0.888 1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.371 0.632 3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.104 0.253 2.264 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.298 -2.191 3.494 1.00 0.00 H new ATOM 804 N ALA A 51 -4.516 2.956 1.096 1.00 0.00 N ATOM 805 CA ALA A 51 -5.118 4.288 1.003 1.00 0.00 C ATOM 806 C ALA A 51 -6.084 4.360 -0.183 1.00 0.00 C ATOM 807 O ALA A 51 -5.821 3.789 -1.240 1.00 0.00 O ATOM 808 CB ALA A 51 -4.021 5.352 0.857 1.00 0.00 C ATOM 0 H ALA A 51 -4.748 2.331 0.324 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.679 4.480 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.478 6.339 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.362 5.317 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.443 5.157 -0.046 1.00 0.00 H new ATOM 814 N ASP A 52 -7.209 5.061 0.002 1.00 0.00 N ATOM 815 CA ASP A 52 -8.220 5.194 -1.058 1.00 0.00 C ATOM 816 C ASP A 52 -8.080 6.537 -1.794 1.00 0.00 C ATOM 817 O ASP A 52 -7.729 7.545 -1.182 1.00 0.00 O ATOM 818 CB ASP A 52 -9.624 5.106 -0.436 1.00 0.00 C ATOM 819 CG ASP A 52 -10.026 3.649 -0.224 1.00 0.00 C ATOM 820 OD1 ASP A 52 -9.841 2.866 -1.139 1.00 0.00 O ATOM 821 OD2 ASP A 52 -10.520 3.341 0.848 1.00 0.00 O ATOM 0 H ASP A 52 -7.443 5.543 0.870 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.071 4.388 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.640 5.636 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.347 5.598 -1.086 1.00 0.00 H new ATOM 826 N PRO A 53 -8.367 6.575 -3.083 1.00 0.00 N ATOM 827 CA PRO A 53 -8.282 7.833 -3.889 1.00 0.00 C ATOM 828 C PRO A 53 -9.357 8.836 -3.482 1.00 0.00 C ATOM 829 O PRO A 53 -10.300 9.097 -4.228 1.00 0.00 O ATOM 830 CB PRO A 53 -8.471 7.353 -5.338 1.00 0.00 C ATOM 831 CG PRO A 53 -9.248 6.083 -5.223 1.00 0.00 C ATOM 832 CD PRO A 53 -8.801 5.436 -3.913 1.00 0.00 C ATOM 0 HA PRO A 53 -7.340 8.361 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.008 8.092 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.511 7.186 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.320 6.280 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.051 5.426 -6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.615 4.886 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.989 4.727 -4.075 1.00 0.00 H new ATOM 840 N LYS A 54 -9.196 9.400 -2.290 1.00 0.00 N ATOM 841 CA LYS A 54 -10.141 10.383 -1.775 1.00 0.00 C ATOM 842 C LYS A 54 -9.421 11.371 -0.872 1.00 0.00 C ATOM 843 O LYS A 54 -9.609 12.582 -0.990 1.00 0.00 O ATOM 844 CB LYS A 54 -11.255 9.684 -0.991 1.00 0.00 C ATOM 845 CG LYS A 54 -11.966 8.678 -1.900 1.00 0.00 C ATOM 846 CD LYS A 54 -13.251 8.198 -1.224 1.00 0.00 C ATOM 847 CE LYS A 54 -13.917 7.130 -2.095 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.959 6.421 -1.300 1.00 0.00 N ATOM 0 H LYS A 54 -8.419 9.193 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.581 10.920 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.838 9.174 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.968 10.419 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.198 9.140 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.312 7.831 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.026 7.790 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.931 9.037 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.366 7.591 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.171 6.420 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.412 5.695 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.518 5.969 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.675 7.103 -0.980 1.00 0.00 H new ATOM 862 N LYS A 55 -8.581 10.855 0.020 1.00 0.00 N ATOM 863 CA LYS A 55 -7.834 11.725 0.914 1.00 0.00 C ATOM 864 C LYS A 55 -6.844 12.543 0.076 1.00 0.00 C ATOM 865 O LYS A 55 -6.290 12.047 -0.906 1.00 0.00 O ATOM 866 CB LYS A 55 -7.112 10.913 2.026 1.00 0.00 C ATOM 867 CG LYS A 55 -7.615 9.448 2.048 1.00 0.00 C ATOM 868 CD LYS A 55 -7.321 8.789 3.412 1.00 0.00 C ATOM 869 CE LYS A 55 -5.824 8.445 3.555 1.00 0.00 C ATOM 870 NZ LYS A 55 -5.386 8.741 4.948 1.00 0.00 N ATOM 0 H LYS A 55 -8.404 9.858 0.140 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.519 12.400 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.036 10.931 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.289 11.378 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.687 9.424 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.131 8.881 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.621 9.462 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.917 7.882 3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.656 7.393 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.235 9.025 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.616 8.095 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.049 9.723 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.187 8.612 5.599 1.00 0.00 H new ATOM 884 N LYS A 56 -6.671 13.804 0.440 1.00 0.00 N ATOM 885 CA LYS A 56 -5.798 14.708 -0.308 1.00 0.00 C ATOM 886 C LYS A 56 -4.440 14.096 -0.659 1.00 0.00 C ATOM 887 O LYS A 56 -4.052 14.088 -1.827 1.00 0.00 O ATOM 888 CB LYS A 56 -5.575 15.995 0.491 1.00 0.00 C ATOM 889 CG LYS A 56 -5.018 17.088 -0.431 1.00 0.00 C ATOM 890 CD LYS A 56 -4.372 18.193 0.408 1.00 0.00 C ATOM 891 CE LYS A 56 -5.421 18.810 1.335 1.00 0.00 C ATOM 892 NZ LYS A 56 -4.894 20.086 1.900 1.00 0.00 N ATOM 0 H LYS A 56 -7.123 14.229 1.250 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.308 14.916 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.514 16.325 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.881 15.809 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.284 16.661 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.819 17.504 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.549 17.785 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.951 18.959 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.343 18.997 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.664 18.116 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.606 20.507 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.025 19.895 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.683 20.748 1.126 1.00 0.00 H new ATOM 906 N TRP A 57 -3.695 13.629 0.339 1.00 0.00 N ATOM 907 CA TRP A 57 -2.366 13.084 0.064 1.00 0.00 C ATOM 908 C TRP A 57 -2.408 11.962 -0.960 1.00 0.00 C ATOM 909 O TRP A 57 -1.548 11.888 -1.836 1.00 0.00 O ATOM 910 CB TRP A 57 -1.697 12.563 1.338 1.00 0.00 C ATOM 911 CG TRP A 57 -0.259 12.289 1.036 1.00 0.00 C ATOM 912 CD1 TRP A 57 0.672 13.250 0.875 1.00 0.00 C ATOM 913 CD2 TRP A 57 0.426 11.012 0.823 1.00 0.00 C ATOM 914 NE1 TRP A 57 1.889 12.656 0.613 1.00 0.00 N ATOM 915 CE2 TRP A 57 1.791 11.281 0.560 1.00 0.00 C ATOM 916 CE3 TRP A 57 0.015 9.661 0.837 1.00 0.00 C ATOM 917 CZ2 TRP A 57 2.707 10.257 0.319 1.00 0.00 C ATOM 918 CZ3 TRP A 57 0.937 8.633 0.594 1.00 0.00 C ATOM 919 CH2 TRP A 57 2.279 8.932 0.335 1.00 0.00 C ATOM 0 H TRP A 57 -3.976 13.615 1.319 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.782 13.910 -0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -1.783 13.297 2.139 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -2.192 11.655 1.683 1.00 0.00 H new ATOM 0 HD1 TRP A 57 0.494 14.313 0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 57 2.758 13.172 0.475 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.018 9.418 1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.743 10.491 0.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.609 7.604 0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 57 2.983 8.135 0.147 1.00 0.00 H new ATOM 930 N VAL A 58 -3.386 11.077 -0.849 1.00 0.00 N ATOM 931 CA VAL A 58 -3.473 9.965 -1.782 1.00 0.00 C ATOM 932 C VAL A 58 -3.426 10.456 -3.219 1.00 0.00 C ATOM 933 O VAL A 58 -2.600 10.004 -4.003 1.00 0.00 O ATOM 934 CB VAL A 58 -4.768 9.185 -1.555 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.876 8.054 -2.583 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.760 8.596 -0.144 1.00 0.00 C ATOM 0 H VAL A 58 -4.117 11.104 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.618 9.312 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.621 9.854 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.800 7.500 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.879 8.475 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.025 7.381 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.682 8.039 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.906 7.927 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.686 9.402 0.586 1.00 0.00 H new ATOM 946 N GLN A 59 -4.321 11.372 -3.559 1.00 0.00 N ATOM 947 CA GLN A 59 -4.379 11.902 -4.916 1.00 0.00 C ATOM 948 C GLN A 59 -3.094 12.656 -5.273 1.00 0.00 C ATOM 949 O GLN A 59 -2.668 12.662 -6.428 1.00 0.00 O ATOM 950 CB GLN A 59 -5.600 12.832 -5.062 1.00 0.00 C ATOM 951 CG GLN A 59 -6.733 12.367 -4.127 1.00 0.00 C ATOM 952 CD GLN A 59 -8.083 12.862 -4.644 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.372 14.057 -4.582 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.929 12.009 -5.152 1.00 0.00 N ATOM 0 H GLN A 59 -5.013 11.762 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.478 11.064 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.317 13.857 -4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.947 12.831 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.737 11.279 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.561 12.745 -3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.687 11.019 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.832 12.332 -5.499 1.00 0.00 H new ATOM 963 N ASP A 60 -2.496 13.300 -4.279 1.00 0.00 N ATOM 964 CA ASP A 60 -1.274 14.073 -4.497 1.00 0.00 C ATOM 965 C ASP A 60 -0.056 13.172 -4.700 1.00 0.00 C ATOM 966 O ASP A 60 0.795 13.446 -5.547 1.00 0.00 O ATOM 967 CB ASP A 60 -1.023 14.976 -3.288 1.00 0.00 C ATOM 968 CG ASP A 60 0.002 16.049 -3.641 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.291 16.858 -4.506 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.063 16.046 -3.041 1.00 0.00 O ATOM 0 H ASP A 60 -2.833 13.304 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.414 14.665 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.956 15.443 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.664 14.381 -2.448 1.00 0.00 H new ATOM 975 N SER A 61 0.041 12.122 -3.894 1.00 0.00 N ATOM 976 CA SER A 61 1.182 11.213 -3.965 1.00 0.00 C ATOM 977 C SER A 61 1.359 10.609 -5.359 1.00 0.00 C ATOM 978 O SER A 61 2.452 10.662 -5.923 1.00 0.00 O ATOM 979 CB SER A 61 1.007 10.095 -2.941 1.00 0.00 C ATOM 980 OG SER A 61 0.456 10.636 -1.751 1.00 0.00 O ATOM 0 H SER A 61 -0.652 11.878 -3.186 1.00 0.00 H new ATOM 0 HA SER A 61 2.078 11.793 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.353 9.320 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.967 9.625 -2.730 1.00 0.00 H new ATOM 0 HG SER A 61 0.926 10.266 -0.975 1.00 0.00 H new ATOM 986 N MET A 62 0.296 10.029 -5.914 1.00 0.00 N ATOM 987 CA MET A 62 0.398 9.424 -7.241 1.00 0.00 C ATOM 988 C MET A 62 0.684 10.495 -8.289 1.00 0.00 C ATOM 989 O MET A 62 1.442 10.267 -9.232 1.00 0.00 O ATOM 990 CB MET A 62 -0.887 8.667 -7.602 1.00 0.00 C ATOM 991 CG MET A 62 -2.109 9.500 -7.224 1.00 0.00 C ATOM 992 SD MET A 62 -3.549 8.916 -8.154 1.00 0.00 S ATOM 993 CE MET A 62 -4.151 7.727 -6.928 1.00 0.00 C ATOM 0 H MET A 62 -0.624 9.965 -5.479 1.00 0.00 H new ATOM 0 HA MET A 62 1.222 8.711 -7.224 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.902 8.449 -8.670 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.914 7.710 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.298 9.422 -6.153 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.926 10.553 -7.440 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.940 7.117 -7.369 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.330 7.084 -6.611 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.546 8.263 -6.065 1.00 0.00 H new ATOM 1003 N LYS A 63 0.084 11.669 -8.111 1.00 0.00 N ATOM 1004 CA LYS A 63 0.298 12.768 -9.043 1.00 0.00 C ATOM 1005 C LYS A 63 1.774 13.144 -9.049 1.00 0.00 C ATOM 1006 O LYS A 63 2.363 13.399 -10.099 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.555 13.975 -8.631 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.215 15.198 -9.498 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.330 14.840 -10.987 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.488 16.118 -11.816 1.00 0.00 C ATOM 1011 NZ LYS A 63 -1.747 16.812 -11.422 1.00 0.00 N ATOM 0 H LYS A 63 -0.547 11.881 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 63 0.003 12.459 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.613 13.732 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.382 14.208 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.890 16.020 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.795 15.541 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.557 14.294 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.185 14.183 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.367 16.775 -11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.511 15.875 -12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.306 17.027 -12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.299 16.197 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.515 17.697 -10.927 1.00 0.00 H new ATOM 1025 N TYR A 64 2.368 13.156 -7.859 1.00 0.00 N ATOM 1026 CA TYR A 64 3.781 13.480 -7.720 1.00 0.00 C ATOM 1027 C TYR A 64 4.614 12.428 -8.454 1.00 0.00 C ATOM 1028 O TYR A 64 5.651 12.737 -9.041 1.00 0.00 O ATOM 1029 CB TYR A 64 4.133 13.548 -6.208 1.00 0.00 C ATOM 1030 CG TYR A 64 5.477 12.906 -5.908 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.621 13.325 -6.599 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.576 11.895 -4.941 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.861 12.734 -6.324 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.815 11.305 -4.668 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.957 11.724 -5.359 1.00 0.00 C ATOM 1036 OH TYR A 64 9.179 11.142 -5.089 1.00 0.00 O ATOM 0 H TYR A 64 1.893 12.946 -6.981 1.00 0.00 H new ATOM 0 HA TYR A 64 4.004 14.450 -8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.148 14.589 -5.886 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.355 13.047 -5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.547 14.104 -7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.695 11.572 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.743 13.058 -6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.890 10.526 -3.924 1.00 0.00 H new ATOM 0 HH TYR A 64 9.070 10.460 -4.393 1.00 0.00 H new ATOM 1046 N LEU A 65 4.143 11.187 -8.418 1.00 0.00 N ATOM 1047 CA LEU A 65 4.838 10.093 -9.084 1.00 0.00 C ATOM 1048 C LEU A 65 4.640 10.183 -10.594 1.00 0.00 C ATOM 1049 O LEU A 65 5.402 9.602 -11.368 1.00 0.00 O ATOM 1050 CB LEU A 65 4.307 8.745 -8.559 1.00 0.00 C ATOM 1051 CG LEU A 65 4.994 8.386 -7.221 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.069 7.494 -6.376 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.308 7.641 -7.502 1.00 0.00 C ATOM 0 H LEU A 65 3.286 10.914 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 65 5.904 10.166 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.228 8.801 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.493 7.961 -9.294 1.00 0.00 H new ATOM 0 HG LEU A 65 5.204 9.304 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.562 7.247 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.140 8.025 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.849 6.577 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.792 7.388 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.097 6.727 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.969 8.278 -8.089 1.00 0.00 H new ATOM 1065 N ASP A 66 3.611 10.911 -11.003 1.00 0.00 N ATOM 1066 CA ASP A 66 3.315 11.072 -12.419 1.00 0.00 C ATOM 1067 C ASP A 66 4.352 11.970 -13.090 1.00 0.00 C ATOM 1068 O ASP A 66 4.682 11.786 -14.261 1.00 0.00 O ATOM 1069 CB ASP A 66 1.919 11.678 -12.582 1.00 0.00 C ATOM 1070 CG ASP A 66 1.388 11.419 -13.989 1.00 0.00 C ATOM 1071 OD1 ASP A 66 1.096 10.273 -14.288 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.281 12.370 -14.745 1.00 0.00 O ATOM 0 H ASP A 66 2.969 11.398 -10.377 1.00 0.00 H new ATOM 0 HA ASP A 66 3.348 10.093 -12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.240 11.248 -11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.957 12.751 -12.392 1.00 0.00 H new ATOM 1077 N GLN A 67 4.860 12.940 -12.338 1.00 0.00 N ATOM 1078 CA GLN A 67 5.858 13.862 -12.870 1.00 0.00 C ATOM 1079 C GLN A 67 7.141 13.120 -13.231 1.00 0.00 C ATOM 1080 O GLN A 67 7.632 13.222 -14.355 1.00 0.00 O ATOM 1081 CB GLN A 67 6.169 14.947 -11.838 1.00 0.00 C ATOM 1082 CG GLN A 67 4.868 15.620 -11.396 1.00 0.00 C ATOM 1083 CD GLN A 67 5.163 16.684 -10.343 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.463 16.710 -9.243 1.00 0.00 O flip ATOM 1085 NE2 GLN A 67 6.053 17.512 -10.529 1.00 0.00 N flip ATOM 0 H GLN A 67 4.600 13.108 -11.366 1.00 0.00 H new ATOM 0 HA GLN A 67 5.453 14.321 -13.772 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.676 14.510 -10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.846 15.686 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.374 16.074 -12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.183 14.875 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.599 17.489 -11.390 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.245 18.222 -9.822 1.00 0.00 H new ATOM 1094 N LYS A 68 7.681 12.375 -12.271 1.00 0.00 N ATOM 1095 CA LYS A 68 8.909 11.622 -12.502 1.00 0.00 C ATOM 1096 C LYS A 68 8.623 10.346 -13.289 1.00 0.00 C ATOM 1097 O LYS A 68 9.427 9.929 -14.123 1.00 0.00 O ATOM 1098 CB LYS A 68 9.566 11.268 -11.165 1.00 0.00 C ATOM 1099 CG LYS A 68 8.592 10.446 -10.315 1.00 0.00 C ATOM 1100 CD LYS A 68 9.061 10.431 -8.856 1.00 0.00 C ATOM 1101 CE LYS A 68 10.396 9.685 -8.744 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.504 10.580 -9.182 1.00 0.00 N ATOM 0 H LYS A 68 7.292 12.277 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 68 9.587 12.245 -13.085 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.481 10.702 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.848 12.178 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.590 10.871 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.532 9.427 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.173 11.452 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.311 9.949 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.560 9.363 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.375 8.786 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.841 10.282 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.159 11.560 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.286 10.524 -8.499 1.00 0.00 H new ATOM 1116 N SER A 69 7.474 9.731 -13.023 1.00 0.00 N ATOM 1117 CA SER A 69 7.099 8.506 -13.720 1.00 0.00 C ATOM 1118 C SER A 69 8.141 7.410 -13.483 1.00 0.00 C ATOM 1119 O SER A 69 9.054 7.233 -14.289 1.00 0.00 O ATOM 1120 CB SER A 69 6.987 8.779 -15.221 1.00 0.00 C ATOM 1121 OG SER A 69 6.279 7.714 -15.840 1.00 0.00 O ATOM 0 H SER A 69 6.793 10.057 -12.337 1.00 0.00 H new ATOM 0 HA SER A 69 6.137 8.170 -13.332 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.470 9.723 -15.393 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.980 8.875 -15.660 1.00 0.00 H new ATOM 0 HG SER A 69 6.204 7.886 -16.802 1.00 0.00 H new ATOM 1127 N PRO A 70 8.030 6.678 -12.400 1.00 0.00 N ATOM 1128 CA PRO A 70 8.994 5.585 -12.070 1.00 0.00 C ATOM 1129 C PRO A 70 9.225 4.644 -13.252 1.00 0.00 C ATOM 1130 O PRO A 70 10.365 4.355 -13.614 1.00 0.00 O ATOM 1131 CB PRO A 70 8.326 4.856 -10.894 1.00 0.00 C ATOM 1132 CG PRO A 70 7.465 5.891 -10.244 1.00 0.00 C ATOM 1133 CD PRO A 70 6.980 6.804 -11.373 1.00 0.00 C ATOM 0 HA PRO A 70 9.985 5.968 -11.826 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.734 4.008 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.068 4.465 -10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.624 5.430 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.027 6.455 -9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.008 6.489 -11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.871 7.835 -11.036 1.00 0.00 H new ATOM 1368 N ASP B 218 8.507 10.532 11.362 1.00 0.00 N ATOM 1369 CA ASP B 218 9.160 11.515 12.224 1.00 0.00 C ATOM 1370 C ASP B 218 10.423 10.926 12.848 1.00 0.00 C ATOM 1371 O ASP B 218 11.443 11.606 12.962 1.00 0.00 O ATOM 1372 CB ASP B 218 8.196 11.980 13.327 1.00 0.00 C ATOM 1373 CG ASP B 218 8.628 13.340 13.869 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.600 14.295 13.109 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.981 13.407 15.035 1.00 0.00 O ATOM 0 HA ASP B 218 9.441 12.374 11.614 1.00 0.00 H new ATOM 0 HB2 ASP B 218 7.183 12.044 12.931 1.00 0.00 H new ATOM 0 HB3 ASP B 218 8.177 11.248 14.135 1.00 0.00 H new ATOM 1380 N ASP B 219 10.350 9.660 13.246 1.00 0.00 N ATOM 1381 CA ASP B 219 11.497 8.993 13.852 1.00 0.00 C ATOM 1382 C ASP B 219 12.547 8.681 12.792 1.00 0.00 C ATOM 1383 O ASP B 219 13.747 8.773 13.046 1.00 0.00 O ATOM 1384 CB ASP B 219 11.052 7.696 14.530 1.00 0.00 C ATOM 1385 CG ASP B 219 10.175 8.013 15.736 1.00 0.00 C ATOM 1386 OD1 ASP B 219 10.614 8.779 16.579 1.00 0.00 O ATOM 1387 OD2 ASP B 219 9.076 7.485 15.802 1.00 0.00 O ATOM 0 H ASP B 219 9.516 9.079 13.161 1.00 0.00 H new ATOM 0 HA ASP B 219 11.931 9.658 14.598 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.501 7.076 13.822 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.924 7.123 14.845 1.00 0.00 H new ATOM 1392 N VAL B 220 12.081 8.319 11.601 1.00 0.00 N ATOM 1393 CA VAL B 220 12.981 8.000 10.498 1.00 0.00 C ATOM 1394 C VAL B 220 13.860 6.801 10.842 1.00 0.00 C ATOM 1395 O VAL B 220 13.697 5.718 10.281 1.00 0.00 O ATOM 1396 CB VAL B 220 13.864 9.211 10.181 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.503 9.037 8.802 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.009 10.482 10.191 1.00 0.00 C ATOM 0 H VAL B 220 11.089 8.239 11.375 1.00 0.00 H new ATOM 0 HA VAL B 220 12.378 7.748 9.626 1.00 0.00 H new ATOM 0 HB VAL B 220 14.648 9.293 10.934 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.130 9.900 8.580 1.00 0.00 H new ATOM 0 HG12 VAL B 220 15.113 8.134 8.795 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.721 8.953 8.047 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.636 11.344 9.966 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.224 10.398 9.440 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.558 10.609 11.175 1.00 0.00 H new ATOM 1408 N GLY B 221 14.797 7.005 11.763 1.00 0.00 N ATOM 1409 CA GLY B 221 15.704 5.937 12.172 1.00 0.00 C ATOM 1410 C GLY B 221 14.948 4.642 12.454 1.00 0.00 C ATOM 1411 O GLY B 221 15.556 3.582 12.608 1.00 0.00 O ATOM 0 H GLY B 221 14.948 7.895 12.238 1.00 0.00 H new ATOM 0 HA2 GLY B 221 16.443 5.766 11.389 1.00 0.00 H new ATOM 0 HA3 GLY B 221 16.250 6.243 13.064 1.00 0.00 H new ATOM 1415 N LEU B 222 13.624 4.730 12.523 1.00 0.00 N ATOM 1416 CA LEU B 222 12.803 3.553 12.790 1.00 0.00 C ATOM 1417 C LEU B 222 13.268 2.369 11.947 1.00 0.00 C ATOM 1418 O LEU B 222 13.592 1.306 12.478 1.00 0.00 O ATOM 1419 CB LEU B 222 11.332 3.858 12.479 1.00 0.00 C ATOM 1420 CG LEU B 222 10.426 2.742 13.042 1.00 0.00 C ATOM 1421 CD1 LEU B 222 10.114 3.001 14.522 1.00 0.00 C ATOM 1422 CD2 LEU B 222 9.110 2.703 12.259 1.00 0.00 C ATOM 0 H LEU B 222 13.099 5.596 12.399 1.00 0.00 H new ATOM 0 HA LEU B 222 12.906 3.295 13.844 1.00 0.00 H new ATOM 0 HB2 LEU B 222 11.052 4.818 12.914 1.00 0.00 H new ATOM 0 HB3 LEU B 222 11.190 3.943 11.402 1.00 0.00 H new ATOM 0 HG LEU B 222 10.948 1.790 12.945 1.00 0.00 H new ATOM 0 HD11 LEU B 222 9.474 2.205 14.904 1.00 0.00 H new ATOM 0 HD12 LEU B 222 11.043 3.024 15.091 1.00 0.00 H new ATOM 0 HD13 LEU B 222 9.602 3.958 14.624 1.00 0.00 H new ATOM 0 HD21 LEU B 222 8.472 1.914 12.658 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.602 3.663 12.353 1.00 0.00 H new ATOM 0 HD23 LEU B 222 9.318 2.504 11.208 1.00 0.00 H new ATOM 1434 N LEU B 223 13.298 2.557 10.631 1.00 0.00 N ATOM 1435 CA LEU B 223 13.726 1.497 9.724 1.00 0.00 C ATOM 1436 C LEU B 223 14.997 0.830 10.247 1.00 0.00 C ATOM 1437 O LEU B 223 16.033 1.473 10.222 1.00 0.00 O ATOM 1438 CB LEU B 223 13.977 2.081 8.324 1.00 0.00 C ATOM 1439 CG LEU B 223 13.843 0.986 7.256 1.00 0.00 C ATOM 1440 CD1 LEU B 223 14.066 1.602 5.872 1.00 0.00 C ATOM 1441 CD2 LEU B 223 14.884 -0.117 7.503 1.00 0.00 C ATOM 1442 OXT LEU B 223 14.914 -0.314 10.664 1.00 0.00 O ATOM 0 H LEU B 223 13.033 3.428 10.171 1.00 0.00 H new ATOM 0 HA LEU B 223 12.939 0.746 9.664 1.00 0.00 H new ATOM 0 HB2 LEU B 223 13.265 2.882 8.124 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.973 2.521 8.280 1.00 0.00 H new ATOM 0 HG LEU B 223 12.845 0.550 7.308 1.00 0.00 H new ATOM 0 HD11 LEU B 223 13.972 0.828 5.110 1.00 0.00 H new ATOM 0 HD12 LEU B 223 13.321 2.378 5.695 1.00 0.00 H new ATOM 0 HD13 LEU B 223 15.064 2.039 5.825 1.00 0.00 H new ATOM 0 HD21 LEU B 223 14.783 -0.890 6.741 1.00 0.00 H new ATOM 0 HD22 LEU B 223 15.885 0.311 7.455 1.00 0.00 H new ATOM 0 HD23 LEU B 223 14.723 -0.555 8.488 1.00 0.00 H new