USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 32 SER OG : rot 180:sc= -0.297 USER MOD Set 1.2: A 47 HIS : no HD1:sc= -2.09 K(o=-2.4,f=-1.1) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.875 K(o=-0.21,f=-0.78) USER MOD Set 2.2: A 100 THR OG1 : rot 75:sc= 0.663 USER MOD Single : A 19 THR OG1 : rot 94:sc= 0.316 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -1.3 (180deg=-2.42!) USER MOD Single : A 41 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.27) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.0929 (180deg=-0.604) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 52 ASN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 56 SER OG : rot 107:sc= 1.16 USER MOD Single : A 57 GLN : amide:sc=-0.00532 X(o=-0.0053,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.721 K(o=0.72,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -4.67! C(o=-4.7!,f=-16!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -9.06! C(o=-9.1!,f=-14!) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0298) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 79 THR OG1 : rot 122:sc= -1.18 USER MOD Single : A 80 HIS : no HE2:sc= -6.97! C(o=-7!,f=-7.1!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=-0.00094) USER MOD Single : A 89 GLN : amide:sc= -0.345 K(o=-0.35,f=-2.9!) USER MOD Single : A 95 GLN : amide:sc= -6.42! C(o=-6.4!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 3.872 -6.786 2.674 1.00 0.00 N ATOM 206 CA HIS A 17 4.728 -6.059 3.596 1.00 0.00 C ATOM 207 C HIS A 17 4.125 -4.681 3.876 1.00 0.00 C ATOM 208 O HIS A 17 3.790 -3.945 2.949 1.00 0.00 O ATOM 209 CB HIS A 17 6.160 -5.983 3.063 1.00 0.00 C ATOM 210 CG HIS A 17 6.258 -5.512 1.632 1.00 0.00 C ATOM 211 ND1 HIS A 17 6.280 -6.382 0.556 1.00 0.00 N ATOM 212 CD2 HIS A 17 6.340 -4.253 1.111 1.00 0.00 C ATOM 213 CE1 HIS A 17 6.371 -5.669 -0.557 1.00 0.00 C ATOM 214 NE2 HIS A 17 6.409 -4.350 -0.211 1.00 0.00 N ATOM 0 HA HIS A 17 4.784 -6.593 4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.737 -5.310 3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.619 -6.968 3.143 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.234 -7.400 0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.347 -3.334 1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.409 -6.063 -1.562 1.00 0.00 H new ATOM 222 N VAL A 18 4.006 -4.372 5.159 1.00 0.00 N ATOM 223 CA VAL A 18 3.451 -3.095 5.573 1.00 0.00 C ATOM 224 C VAL A 18 4.519 -2.009 5.434 1.00 0.00 C ATOM 225 O VAL A 18 5.712 -2.290 5.538 1.00 0.00 O ATOM 226 CB VAL A 18 2.890 -3.204 6.993 1.00 0.00 C ATOM 227 CG1 VAL A 18 4.002 -3.055 8.034 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.781 -2.176 7.224 1.00 0.00 C ATOM 0 H VAL A 18 4.285 -4.984 5.926 1.00 0.00 H new ATOM 0 HA VAL A 18 2.618 -2.815 4.929 1.00 0.00 H new ATOM 0 HB VAL A 18 2.455 -4.197 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.577 -3.136 9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.743 -3.841 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.479 -2.081 7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.399 -2.275 8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.180 -1.172 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.972 -2.348 6.514 1.00 0.00 H new ATOM 238 N THR A 19 4.053 -0.791 5.202 1.00 0.00 N ATOM 239 CA THR A 19 4.954 0.339 5.047 1.00 0.00 C ATOM 240 C THR A 19 4.567 1.465 6.008 1.00 0.00 C ATOM 241 O THR A 19 3.479 2.029 5.903 1.00 0.00 O ATOM 242 CB THR A 19 4.935 0.761 3.577 1.00 0.00 C ATOM 243 OG1 THR A 19 5.086 -0.462 2.862 1.00 0.00 O ATOM 244 CG2 THR A 19 6.169 1.576 3.186 1.00 0.00 C ATOM 0 H THR A 19 3.063 -0.561 5.117 1.00 0.00 H new ATOM 0 HA THR A 19 5.977 0.068 5.309 1.00 0.00 H new ATOM 0 HB THR A 19 4.036 1.345 3.379 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.202 -0.818 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.105 1.850 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.216 2.480 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.066 0.980 3.352 1.00 0.00 H new ATOM 252 N ILE A 20 5.480 1.758 6.923 1.00 0.00 N ATOM 253 CA ILE A 20 5.248 2.806 7.902 1.00 0.00 C ATOM 254 C ILE A 20 6.258 3.934 7.684 1.00 0.00 C ATOM 255 O ILE A 20 7.441 3.780 7.985 1.00 0.00 O ATOM 256 CB ILE A 20 5.266 2.230 9.319 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.007 1.404 9.591 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.462 3.336 10.358 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.744 2.221 9.311 1.00 0.00 C ATOM 0 H ILE A 20 6.381 1.288 7.007 1.00 0.00 H new ATOM 0 HA ILE A 20 4.255 3.236 7.771 1.00 0.00 H new ATOM 0 HB ILE A 20 6.118 1.555 9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.012 0.510 8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.005 1.068 10.628 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.471 2.900 11.357 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.409 3.843 10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.645 4.054 10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.864 1.611 9.512 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.730 3.101 9.954 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.737 2.534 8.267 1.00 0.00 H new ATOM 271 N LEU A 21 5.756 5.044 7.162 1.00 0.00 N ATOM 272 CA LEU A 21 6.600 6.197 6.901 1.00 0.00 C ATOM 273 C LEU A 21 6.346 7.262 7.969 1.00 0.00 C ATOM 274 O LEU A 21 5.198 7.590 8.265 1.00 0.00 O ATOM 275 CB LEU A 21 6.392 6.699 5.471 1.00 0.00 C ATOM 276 CG LEU A 21 6.948 5.807 4.359 1.00 0.00 C ATOM 277 CD1 LEU A 21 8.367 5.340 4.689 1.00 0.00 C ATOM 278 CD2 LEU A 21 6.009 4.633 4.077 1.00 0.00 C ATOM 0 H LEU A 21 4.775 5.169 6.913 1.00 0.00 H new ATOM 0 HA LEU A 21 7.653 5.922 6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.323 6.829 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.850 7.684 5.383 1.00 0.00 H new ATOM 0 HG LEU A 21 7.008 6.398 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.739 4.708 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.019 6.207 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.356 4.772 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.428 4.015 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.894 4.034 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.035 5.012 3.767 1.00 0.00 H new ATOM 290 N HIS A 22 7.438 7.773 8.520 1.00 0.00 N ATOM 291 CA HIS A 22 7.348 8.794 9.550 1.00 0.00 C ATOM 292 C HIS A 22 7.496 10.178 8.915 1.00 0.00 C ATOM 293 O HIS A 22 8.562 10.521 8.407 1.00 0.00 O ATOM 294 CB HIS A 22 8.371 8.539 10.659 1.00 0.00 C ATOM 295 CG HIS A 22 8.385 7.116 11.165 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.573 6.679 12.197 1.00 0.00 N ATOM 297 CD2 HIS A 22 9.120 6.037 10.771 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.817 5.394 12.407 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.777 4.998 11.522 1.00 0.00 N ATOM 0 H HIS A 22 8.389 7.499 8.273 1.00 0.00 H new ATOM 0 HA HIS A 22 6.367 8.752 10.023 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.364 8.792 10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 22 8.162 9.209 11.493 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.857 6.029 9.981 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.340 4.770 13.148 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.167 4.058 11.450 1.00 0.00 H new ATOM 307 N LYS A 23 6.410 10.936 8.964 1.00 0.00 N ATOM 308 CA LYS A 23 6.405 12.274 8.399 1.00 0.00 C ATOM 309 C LYS A 23 5.650 13.217 9.339 1.00 0.00 C ATOM 310 O LYS A 23 5.062 12.776 10.325 1.00 0.00 O ATOM 311 CB LYS A 23 5.850 12.253 6.974 1.00 0.00 C ATOM 312 CG LYS A 23 4.321 12.322 6.980 1.00 0.00 C ATOM 313 CD LYS A 23 3.722 11.303 6.008 1.00 0.00 C ATOM 314 CE LYS A 23 2.214 11.164 6.220 1.00 0.00 C ATOM 315 NZ LYS A 23 1.581 12.497 6.333 1.00 0.00 N ATOM 0 H LYS A 23 5.527 10.648 9.387 1.00 0.00 H new ATOM 0 HA LYS A 23 7.423 12.655 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.253 13.094 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.175 11.344 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.949 12.132 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.998 13.326 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.922 11.613 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.203 10.335 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.773 10.615 5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.020 10.585 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.555 12.408 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.764 12.889 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.979 13.132 5.612 1.00 0.00 H new ATOM 329 N GLU A 24 5.692 14.497 9.000 1.00 0.00 N ATOM 330 CA GLU A 24 5.020 15.505 9.801 1.00 0.00 C ATOM 331 C GLU A 24 3.639 15.814 9.217 1.00 0.00 C ATOM 332 O GLU A 24 3.329 15.404 8.100 1.00 0.00 O ATOM 333 CB GLU A 24 5.866 16.775 9.908 1.00 0.00 C ATOM 334 CG GLU A 24 7.028 16.580 10.884 1.00 0.00 C ATOM 335 CD GLU A 24 7.440 17.910 11.519 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.544 18.568 12.089 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.643 18.237 11.419 1.00 0.00 O ATOM 0 H GLU A 24 6.181 14.859 8.181 1.00 0.00 H new ATOM 0 HA GLU A 24 4.887 15.110 10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.253 17.042 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.242 17.605 10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.739 15.875 11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.879 16.144 10.360 1.00 0.00 H new ATOM 344 N GLU A 25 2.848 16.533 10.000 1.00 0.00 N ATOM 345 CA GLU A 25 1.509 16.901 9.574 1.00 0.00 C ATOM 346 C GLU A 25 1.570 17.753 8.305 1.00 0.00 C ATOM 347 O GLU A 25 1.880 18.942 8.366 1.00 0.00 O ATOM 348 CB GLU A 25 0.761 17.633 10.690 1.00 0.00 C ATOM 349 CG GLU A 25 -0.135 16.670 11.473 1.00 0.00 C ATOM 350 CD GLU A 25 -0.625 17.312 12.773 1.00 0.00 C ATOM 351 OE1 GLU A 25 -1.563 18.133 12.682 1.00 0.00 O ATOM 352 OE2 GLU A 25 -0.050 16.966 13.828 1.00 0.00 O ATOM 0 H GLU A 25 3.109 16.870 10.927 1.00 0.00 H new ATOM 0 HA GLU A 25 0.957 15.988 9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.477 18.101 11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.156 18.433 10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.990 16.383 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.416 15.757 11.699 1.00 0.00 H new ATOM 359 N GLY A 26 1.270 17.112 7.185 1.00 0.00 N ATOM 360 CA GLY A 26 1.287 17.797 5.903 1.00 0.00 C ATOM 361 C GLY A 26 2.694 17.798 5.301 1.00 0.00 C ATOM 362 O GLY A 26 3.062 18.721 4.576 1.00 0.00 O ATOM 0 H GLY A 26 1.014 16.126 7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.594 17.310 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.941 18.823 6.030 1.00 0.00 H new ATOM 366 N ALA A 27 3.442 16.753 5.624 1.00 0.00 N ATOM 367 CA ALA A 27 4.800 16.622 5.124 1.00 0.00 C ATOM 368 C ALA A 27 4.777 15.877 3.788 1.00 0.00 C ATOM 369 O ALA A 27 5.599 16.141 2.912 1.00 0.00 O ATOM 370 CB ALA A 27 5.663 15.914 6.171 1.00 0.00 C ATOM 0 H ALA A 27 3.133 15.989 6.226 1.00 0.00 H new ATOM 0 HA ALA A 27 5.240 17.603 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.682 15.815 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.670 16.497 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.253 14.924 6.372 1.00 0.00 H new ATOM 376 N GLY A 28 3.826 14.962 3.673 1.00 0.00 N ATOM 377 CA GLY A 28 3.685 14.178 2.458 1.00 0.00 C ATOM 378 C GLY A 28 4.384 12.823 2.595 1.00 0.00 C ATOM 379 O GLY A 28 5.194 12.628 3.500 1.00 0.00 O ATOM 0 H GLY A 28 3.145 14.746 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.628 14.025 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.108 14.726 1.616 1.00 0.00 H new ATOM 383 N LEU A 29 4.046 11.923 1.684 1.00 0.00 N ATOM 384 CA LEU A 29 4.631 10.593 1.692 1.00 0.00 C ATOM 385 C LEU A 29 5.899 10.594 0.836 1.00 0.00 C ATOM 386 O LEU A 29 6.937 10.086 1.257 1.00 0.00 O ATOM 387 CB LEU A 29 3.597 9.551 1.260 1.00 0.00 C ATOM 388 CG LEU A 29 2.132 9.918 1.504 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.200 8.812 1.006 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.888 10.253 2.977 1.00 0.00 C ATOM 0 H LEU A 29 3.374 12.089 0.935 1.00 0.00 H new ATOM 0 HA LEU A 29 4.929 10.313 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.730 9.356 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.809 8.619 1.784 1.00 0.00 H new ATOM 0 HG LEU A 29 1.904 10.815 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.165 9.098 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.350 8.664 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.421 7.885 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.839 10.510 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.139 9.389 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.512 11.098 3.266 1.00 0.00 H new ATOM 402 N GLY A 30 5.773 11.169 -0.351 1.00 0.00 N ATOM 403 CA GLY A 30 6.896 11.242 -1.270 1.00 0.00 C ATOM 404 C GLY A 30 6.571 10.537 -2.589 1.00 0.00 C ATOM 405 O GLY A 30 7.415 10.464 -3.482 1.00 0.00 O ATOM 0 H GLY A 30 4.910 11.589 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.146 12.285 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.774 10.783 -0.815 1.00 0.00 H new ATOM 409 N PHE A 31 5.347 10.036 -2.670 1.00 0.00 N ATOM 410 CA PHE A 31 4.901 9.340 -3.865 1.00 0.00 C ATOM 411 C PHE A 31 3.428 9.635 -4.153 1.00 0.00 C ATOM 412 O PHE A 31 2.738 10.232 -3.329 1.00 0.00 O ATOM 413 CB PHE A 31 5.067 7.843 -3.598 1.00 0.00 C ATOM 414 CG PHE A 31 3.988 7.250 -2.689 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.052 7.441 -1.344 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.966 6.531 -3.226 1.00 0.00 C ATOM 417 CE1 PHE A 31 3.051 6.891 -0.500 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.965 5.981 -2.382 1.00 0.00 C ATOM 419 CZ PHE A 31 2.029 6.173 -1.037 1.00 0.00 C ATOM 0 H PHE A 31 4.650 10.098 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 31 5.484 9.667 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.058 7.311 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.044 7.671 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.864 8.011 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.916 6.378 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.102 7.043 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.153 5.410 -2.808 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.268 5.755 -0.395 1.00 0.00 H new ATOM 429 N SER A 32 2.990 9.203 -5.327 1.00 0.00 N ATOM 430 CA SER A 32 1.611 9.413 -5.734 1.00 0.00 C ATOM 431 C SER A 32 0.987 8.087 -6.172 1.00 0.00 C ATOM 432 O SER A 32 1.693 7.099 -6.368 1.00 0.00 O ATOM 433 CB SER A 32 1.521 10.441 -6.865 1.00 0.00 C ATOM 434 OG SER A 32 0.564 10.067 -7.851 1.00 0.00 O ATOM 0 H SER A 32 3.566 8.709 -6.009 1.00 0.00 H new ATOM 0 HA SER A 32 1.058 9.803 -4.880 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.254 11.413 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.499 10.552 -7.333 1.00 0.00 H new ATOM 0 HG SER A 32 0.535 10.749 -8.554 1.00 0.00 H new ATOM 440 N LEU A 33 -0.331 8.108 -6.314 1.00 0.00 N ATOM 441 CA LEU A 33 -1.058 6.919 -6.725 1.00 0.00 C ATOM 442 C LEU A 33 -1.211 6.921 -8.247 1.00 0.00 C ATOM 443 O LEU A 33 -1.056 7.959 -8.889 1.00 0.00 O ATOM 444 CB LEU A 33 -2.386 6.817 -5.973 1.00 0.00 C ATOM 445 CG LEU A 33 -2.296 6.831 -4.445 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.491 6.111 -3.818 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.962 6.250 -3.970 1.00 0.00 C ATOM 0 H LEU A 33 -0.913 8.929 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.500 6.021 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.023 7.644 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.884 5.897 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.334 7.867 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.402 6.136 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.414 6.608 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.510 5.075 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.923 6.271 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.870 5.221 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.142 6.844 -4.374 1.00 0.00 H new ATOM 459 N ALA A 34 -1.515 5.747 -8.781 1.00 0.00 N ATOM 460 CA ALA A 34 -1.691 5.601 -10.216 1.00 0.00 C ATOM 461 C ALA A 34 -2.710 4.493 -10.489 1.00 0.00 C ATOM 462 O ALA A 34 -2.623 3.409 -9.915 1.00 0.00 O ATOM 463 CB ALA A 34 -0.337 5.322 -10.871 1.00 0.00 C ATOM 0 H ALA A 34 -1.644 4.888 -8.246 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.080 6.522 -10.651 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.469 5.212 -11.947 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.342 6.151 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.083 4.403 -10.462 1.00 0.00 H new ATOM 469 N GLY A 35 -3.653 4.804 -11.367 1.00 0.00 N ATOM 470 CA GLY A 35 -4.688 3.848 -11.724 1.00 0.00 C ATOM 471 C GLY A 35 -6.029 4.231 -11.095 1.00 0.00 C ATOM 472 O GLY A 35 -6.107 5.187 -10.324 1.00 0.00 O ATOM 0 H GLY A 35 -3.722 5.704 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.790 3.805 -12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.398 2.851 -11.391 1.00 0.00 H new ATOM 476 N GLY A 36 -7.051 3.466 -11.447 1.00 0.00 N ATOM 477 CA GLY A 36 -8.385 3.713 -10.926 1.00 0.00 C ATOM 478 C GLY A 36 -9.429 2.884 -11.677 1.00 0.00 C ATOM 479 O GLY A 36 -9.178 2.424 -12.790 1.00 0.00 O ATOM 0 H GLY A 36 -6.983 2.675 -12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.416 3.468 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.624 4.773 -11.016 1.00 0.00 H new ATOM 483 N ALA A 37 -10.578 2.719 -11.039 1.00 0.00 N ATOM 484 CA ALA A 37 -11.661 1.953 -11.632 1.00 0.00 C ATOM 485 C ALA A 37 -12.017 2.553 -12.994 1.00 0.00 C ATOM 486 O ALA A 37 -12.325 1.824 -13.936 1.00 0.00 O ATOM 487 CB ALA A 37 -12.855 1.931 -10.676 1.00 0.00 C ATOM 0 H ALA A 37 -10.783 3.103 -10.117 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.355 0.920 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.667 1.356 -11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.558 1.470 -9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.192 2.951 -10.491 1.00 0.00 H new ATOM 493 N ASP A 38 -11.962 3.875 -13.056 1.00 0.00 N ATOM 494 CA ASP A 38 -12.274 4.581 -14.287 1.00 0.00 C ATOM 495 C ASP A 38 -11.138 4.373 -15.291 1.00 0.00 C ATOM 496 O ASP A 38 -11.344 4.486 -16.498 1.00 0.00 O ATOM 497 CB ASP A 38 -12.417 6.083 -14.039 1.00 0.00 C ATOM 498 CG ASP A 38 -12.702 6.920 -15.288 1.00 0.00 C ATOM 499 OD1 ASP A 38 -13.785 6.711 -15.876 1.00 0.00 O ATOM 500 OD2 ASP A 38 -11.831 7.750 -15.626 1.00 0.00 O ATOM 0 H ASP A 38 -11.706 4.476 -12.273 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.215 4.188 -14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.222 6.243 -13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.500 6.449 -13.576 1.00 0.00 H new ATOM 505 N LEU A 39 -9.965 4.072 -14.754 1.00 0.00 N ATOM 506 CA LEU A 39 -8.796 3.847 -15.588 1.00 0.00 C ATOM 507 C LEU A 39 -8.818 2.410 -16.113 1.00 0.00 C ATOM 508 O LEU A 39 -9.704 1.632 -15.764 1.00 0.00 O ATOM 509 CB LEU A 39 -7.518 4.205 -14.827 1.00 0.00 C ATOM 510 CG LEU A 39 -7.282 5.696 -14.577 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.395 6.289 -13.711 1.00 0.00 C ATOM 512 CD2 LEU A 39 -5.896 5.937 -13.974 1.00 0.00 C ATOM 0 H LEU A 39 -9.799 3.979 -13.752 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.816 4.504 -16.457 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.537 3.694 -13.864 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.666 3.810 -15.381 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.311 6.213 -15.536 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.203 7.350 -13.548 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.353 6.167 -14.216 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.423 5.774 -12.751 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.753 7.004 -13.806 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.815 5.406 -13.026 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.132 5.572 -14.661 1.00 0.00 H new ATOM 524 N GLU A 40 -7.832 2.102 -16.942 1.00 0.00 N ATOM 525 CA GLU A 40 -7.727 0.772 -17.518 1.00 0.00 C ATOM 526 C GLU A 40 -7.404 -0.254 -16.430 1.00 0.00 C ATOM 527 O GLU A 40 -7.905 -1.377 -16.462 1.00 0.00 O ATOM 528 CB GLU A 40 -6.678 0.738 -18.632 1.00 0.00 C ATOM 529 CG GLU A 40 -7.082 1.648 -19.793 1.00 0.00 C ATOM 530 CD GLU A 40 -7.634 0.832 -20.964 1.00 0.00 C ATOM 531 OE1 GLU A 40 -8.753 0.298 -20.806 1.00 0.00 O ATOM 532 OE2 GLU A 40 -6.924 0.760 -21.990 1.00 0.00 O ATOM 0 H GLU A 40 -7.099 2.750 -17.229 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.689 0.513 -17.961 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.712 1.054 -18.237 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.557 -0.284 -18.991 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.834 2.361 -19.456 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.219 2.227 -20.123 1.00 0.00 H new ATOM 539 N ASN A 41 -6.569 0.169 -15.492 1.00 0.00 N ATOM 540 CA ASN A 41 -6.173 -0.699 -14.396 1.00 0.00 C ATOM 541 C ASN A 41 -7.159 -0.532 -13.238 1.00 0.00 C ATOM 542 O ASN A 41 -7.819 0.499 -13.124 1.00 0.00 O ATOM 543 CB ASN A 41 -4.777 -0.338 -13.884 1.00 0.00 C ATOM 544 CG ASN A 41 -3.838 -0.001 -15.044 1.00 0.00 C ATOM 545 OD1 ASN A 41 -3.869 -0.612 -16.099 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.004 1.003 -14.790 1.00 0.00 N ATOM 0 H ASN A 41 -6.156 1.101 -15.468 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.168 -1.725 -14.763 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.843 0.513 -13.206 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.369 -1.171 -13.311 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.337 1.304 -15.501 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.031 1.472 -13.885 1.00 0.00 H new ATOM 553 N LYS A 42 -7.228 -1.563 -12.408 1.00 0.00 N ATOM 554 CA LYS A 42 -8.122 -1.544 -11.263 1.00 0.00 C ATOM 555 C LYS A 42 -7.296 -1.473 -9.978 1.00 0.00 C ATOM 556 O LYS A 42 -7.803 -1.072 -8.931 1.00 0.00 O ATOM 557 CB LYS A 42 -9.082 -2.735 -11.313 1.00 0.00 C ATOM 558 CG LYS A 42 -9.872 -2.748 -12.623 1.00 0.00 C ATOM 559 CD LYS A 42 -10.862 -1.583 -12.679 1.00 0.00 C ATOM 560 CE LYS A 42 -11.725 -1.656 -13.940 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.459 -2.940 -13.992 1.00 0.00 N ATOM 0 H LYS A 42 -6.679 -2.417 -12.506 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.752 -0.655 -11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.520 -3.664 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.771 -2.687 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.185 -2.686 -13.467 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.410 -3.691 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.500 -1.601 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.319 -0.638 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.431 -0.826 -13.953 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.096 -1.554 -14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.280 -2.845 -14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.830 -3.685 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.784 -3.193 -13.037 1.00 0.00 H new ATOM 575 N VAL A 43 -6.038 -1.870 -10.098 1.00 0.00 N ATOM 576 CA VAL A 43 -5.137 -1.856 -8.958 1.00 0.00 C ATOM 577 C VAL A 43 -4.297 -0.578 -8.993 1.00 0.00 C ATOM 578 O VAL A 43 -3.474 -0.395 -9.889 1.00 0.00 O ATOM 579 CB VAL A 43 -4.288 -3.129 -8.948 1.00 0.00 C ATOM 580 CG1 VAL A 43 -2.881 -2.845 -8.418 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.967 -4.234 -8.136 1.00 0.00 C ATOM 0 H VAL A 43 -5.621 -2.203 -10.967 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.701 -1.849 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.195 -3.478 -9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.298 -3.766 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.395 -2.106 -9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.946 -2.461 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.343 -5.128 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.105 -3.898 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.937 -4.465 -8.576 1.00 0.00 H new ATOM 591 N ILE A 44 -4.533 0.274 -8.006 1.00 0.00 N ATOM 592 CA ILE A 44 -3.809 1.530 -7.912 1.00 0.00 C ATOM 593 C ILE A 44 -2.332 1.243 -7.632 1.00 0.00 C ATOM 594 O ILE A 44 -1.989 0.704 -6.581 1.00 0.00 O ATOM 595 CB ILE A 44 -4.463 2.450 -6.879 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.679 3.164 -7.473 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.445 3.436 -6.301 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.827 2.182 -7.714 1.00 0.00 C ATOM 0 H ILE A 44 -5.216 0.119 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.856 2.068 -8.859 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.822 1.836 -6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.007 3.954 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.402 3.642 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.935 4.078 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.639 2.885 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.035 4.048 -7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.679 2.715 -8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.503 1.407 -8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.118 1.724 -6.769 1.00 0.00 H new ATOM 610 N THR A 45 -1.497 1.615 -8.591 1.00 0.00 N ATOM 611 CA THR A 45 -0.066 1.404 -8.461 1.00 0.00 C ATOM 612 C THR A 45 0.640 2.721 -8.132 1.00 0.00 C ATOM 613 O THR A 45 0.061 3.795 -8.288 1.00 0.00 O ATOM 614 CB THR A 45 0.435 0.752 -9.752 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.346 1.363 -10.775 1.00 0.00 O ATOM 616 CG2 THR A 45 0.070 -0.731 -9.839 1.00 0.00 C ATOM 0 H THR A 45 -1.785 2.062 -9.462 1.00 0.00 H new ATOM 0 HA THR A 45 0.161 0.734 -7.632 1.00 0.00 H new ATOM 0 HB THR A 45 1.517 0.863 -9.819 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.085 0.999 -11.647 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.449 -1.145 -10.774 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.515 -1.265 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.014 -0.841 -9.806 1.00 0.00 H new ATOM 624 N VAL A 46 1.880 2.595 -7.682 1.00 0.00 N ATOM 625 CA VAL A 46 2.670 3.762 -7.330 1.00 0.00 C ATOM 626 C VAL A 46 3.059 4.513 -8.605 1.00 0.00 C ATOM 627 O VAL A 46 3.962 4.093 -9.326 1.00 0.00 O ATOM 628 CB VAL A 46 3.879 3.341 -6.491 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.665 4.563 -6.010 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.450 2.466 -5.312 1.00 0.00 C ATOM 0 H VAL A 46 2.357 1.702 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 46 2.087 4.447 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 46 4.537 2.748 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.519 4.236 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.018 5.131 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.019 5.194 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.328 2.181 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.761 3.023 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.955 1.570 -5.685 1.00 0.00 H new ATOM 640 N HIS A 47 2.358 5.612 -8.843 1.00 0.00 N ATOM 641 CA HIS A 47 2.619 6.426 -10.018 1.00 0.00 C ATOM 642 C HIS A 47 4.106 6.780 -10.077 1.00 0.00 C ATOM 643 O HIS A 47 4.797 6.418 -11.028 1.00 0.00 O ATOM 644 CB HIS A 47 1.714 7.659 -10.036 1.00 0.00 C ATOM 645 CG HIS A 47 1.971 8.592 -11.196 1.00 0.00 C ATOM 646 ND1 HIS A 47 1.328 9.810 -11.334 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.806 8.473 -12.267 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.764 10.389 -12.443 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.680 9.559 -13.020 1.00 0.00 N ATOM 0 H HIS A 47 1.610 5.958 -8.242 1.00 0.00 H new ATOM 0 HA HIS A 47 2.381 5.859 -10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.674 7.334 -10.068 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.847 8.209 -9.104 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.459 7.637 -12.469 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.449 11.350 -12.823 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.185 9.743 -13.887 1.00 0.00 H new ATOM 657 N ARG A 48 4.555 7.485 -9.048 1.00 0.00 N ATOM 658 CA ARG A 48 5.948 7.892 -8.971 1.00 0.00 C ATOM 659 C ARG A 48 6.362 8.093 -7.512 1.00 0.00 C ATOM 660 O ARG A 48 5.519 8.349 -6.653 1.00 0.00 O ATOM 661 CB ARG A 48 6.185 9.190 -9.745 1.00 0.00 C ATOM 662 CG ARG A 48 7.042 8.939 -10.988 1.00 0.00 C ATOM 663 CD ARG A 48 6.180 8.906 -12.251 1.00 0.00 C ATOM 664 NE ARG A 48 6.815 9.710 -13.319 1.00 0.00 N ATOM 665 CZ ARG A 48 7.015 11.032 -13.245 1.00 0.00 C ATOM 666 NH1 ARG A 48 6.632 11.708 -12.153 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.599 11.680 -14.262 1.00 0.00 N ATOM 0 H ARG A 48 3.979 7.784 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 48 6.551 7.101 -9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.228 9.622 -10.040 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.678 9.917 -9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.796 9.721 -11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.574 7.994 -10.882 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.052 7.877 -12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.186 9.296 -12.033 1.00 0.00 H new ATOM 0 HE ARG A 48 7.119 9.227 -14.164 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.188 11.216 -11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.785 12.715 -12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.892 11.166 -15.093 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.751 12.687 -14.205 1.00 0.00 H new ATOM 681 N VAL A 49 7.660 7.970 -7.277 1.00 0.00 N ATOM 682 CA VAL A 49 8.196 8.135 -5.936 1.00 0.00 C ATOM 683 C VAL A 49 9.229 9.263 -5.940 1.00 0.00 C ATOM 684 O VAL A 49 10.393 9.043 -6.273 1.00 0.00 O ATOM 685 CB VAL A 49 8.763 6.806 -5.432 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.071 6.874 -3.935 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.811 5.650 -5.744 1.00 0.00 C ATOM 0 H VAL A 49 8.356 7.758 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 49 7.406 8.420 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 49 9.699 6.620 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.473 5.917 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.804 7.659 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.156 7.094 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.238 4.717 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.852 5.827 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.664 5.581 -6.822 1.00 0.00 H new ATOM 697 N PHE A 50 8.767 10.447 -5.566 1.00 0.00 N ATOM 698 CA PHE A 50 9.637 11.610 -5.522 1.00 0.00 C ATOM 699 C PHE A 50 11.044 11.226 -5.060 1.00 0.00 C ATOM 700 O PHE A 50 11.215 10.265 -4.312 1.00 0.00 O ATOM 701 CB PHE A 50 9.030 12.585 -4.511 1.00 0.00 C ATOM 702 CG PHE A 50 7.553 12.900 -4.760 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.981 12.581 -5.952 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.813 13.499 -3.789 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.611 12.873 -6.183 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.443 13.791 -4.020 1.00 0.00 C ATOM 707 CZ PHE A 50 4.871 13.472 -5.212 1.00 0.00 C ATOM 0 H PHE A 50 7.801 10.626 -5.291 1.00 0.00 H new ATOM 0 HA PHE A 50 9.718 12.051 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.138 12.168 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.598 13.515 -4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.569 12.105 -6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.267 13.752 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.157 12.620 -7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.855 14.267 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.829 13.694 -5.387 1.00 0.00 H new ATOM 717 N PRO A 51 12.042 12.017 -5.538 1.00 0.00 N ATOM 718 CA PRO A 51 13.429 11.769 -5.182 1.00 0.00 C ATOM 719 C PRO A 51 13.715 12.216 -3.747 1.00 0.00 C ATOM 720 O PRO A 51 14.630 11.703 -3.104 1.00 0.00 O ATOM 721 CB PRO A 51 14.242 12.531 -6.215 1.00 0.00 C ATOM 722 CG PRO A 51 13.292 13.549 -6.826 1.00 0.00 C ATOM 723 CD PRO A 51 11.877 13.163 -6.427 1.00 0.00 C ATOM 0 HA PRO A 51 13.684 10.709 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.097 13.024 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.635 11.858 -6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.528 14.552 -6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.393 13.562 -7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.370 13.985 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.276 12.904 -7.299 1.00 0.00 H new ATOM 731 N ASN A 52 12.915 13.166 -3.287 1.00 0.00 N ATOM 732 CA ASN A 52 13.070 13.688 -1.940 1.00 0.00 C ATOM 733 C ASN A 52 11.810 13.380 -1.129 1.00 0.00 C ATOM 734 O ASN A 52 10.909 14.212 -1.036 1.00 0.00 O ATOM 735 CB ASN A 52 13.263 15.206 -1.956 1.00 0.00 C ATOM 736 CG ASN A 52 14.553 15.587 -2.684 1.00 0.00 C ATOM 737 OD1 ASN A 52 15.613 15.723 -2.094 1.00 0.00 O ATOM 738 ND2 ASN A 52 14.406 15.751 -3.995 1.00 0.00 N ATOM 0 H ASN A 52 12.157 13.588 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 52 13.947 13.218 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.412 15.679 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.293 15.583 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.209 16.006 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.490 15.622 -4.426 1.00 0.00 H new ATOM 745 N GLY A 53 11.786 12.182 -0.564 1.00 0.00 N ATOM 746 CA GLY A 53 10.651 11.754 0.236 1.00 0.00 C ATOM 747 C GLY A 53 11.019 10.557 1.115 1.00 0.00 C ATOM 748 O GLY A 53 12.198 10.258 1.300 1.00 0.00 O ATOM 0 H GLY A 53 12.535 11.494 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.312 12.579 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.821 11.488 -0.418 1.00 0.00 H new ATOM 752 N LEU A 54 9.989 9.905 1.633 1.00 0.00 N ATOM 753 CA LEU A 54 10.190 8.748 2.489 1.00 0.00 C ATOM 754 C LEU A 54 10.144 7.477 1.639 1.00 0.00 C ATOM 755 O LEU A 54 11.096 6.698 1.629 1.00 0.00 O ATOM 756 CB LEU A 54 9.184 8.753 3.642 1.00 0.00 C ATOM 757 CG LEU A 54 8.878 10.119 4.259 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.458 10.158 4.827 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.926 10.493 5.309 1.00 0.00 C ATOM 0 H LEU A 54 9.013 10.156 1.477 1.00 0.00 H new ATOM 0 HA LEU A 54 11.174 8.785 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.250 8.320 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.559 8.097 4.428 1.00 0.00 H new ATOM 0 HG LEU A 54 8.930 10.870 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.266 11.140 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.741 9.967 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.354 9.395 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.685 11.468 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.930 9.745 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.910 10.533 4.842 1.00 0.00 H new ATOM 771 N ALA A 55 9.028 7.306 0.945 1.00 0.00 N ATOM 772 CA ALA A 55 8.846 6.143 0.094 1.00 0.00 C ATOM 773 C ALA A 55 10.108 5.927 -0.744 1.00 0.00 C ATOM 774 O ALA A 55 10.416 4.800 -1.130 1.00 0.00 O ATOM 775 CB ALA A 55 7.598 6.333 -0.771 1.00 0.00 C ATOM 0 H ALA A 55 8.241 7.954 0.955 1.00 0.00 H new ATOM 0 HA ALA A 55 8.692 5.248 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.462 5.460 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.725 6.453 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.717 7.221 -1.391 1.00 0.00 H new ATOM 781 N SER A 56 10.806 7.024 -0.999 1.00 0.00 N ATOM 782 CA SER A 56 12.028 6.969 -1.783 1.00 0.00 C ATOM 783 C SER A 56 13.168 6.399 -0.937 1.00 0.00 C ATOM 784 O SER A 56 13.974 5.609 -1.425 1.00 0.00 O ATOM 785 CB SER A 56 12.403 8.353 -2.317 1.00 0.00 C ATOM 786 OG SER A 56 12.642 8.337 -3.722 1.00 0.00 O ATOM 0 H SER A 56 10.548 7.957 -0.676 1.00 0.00 H new ATOM 0 HA SER A 56 11.857 6.314 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.601 9.057 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.294 8.711 -1.802 1.00 0.00 H new ATOM 0 HG SER A 56 11.893 8.766 -4.186 1.00 0.00 H new ATOM 792 N GLN A 57 13.199 6.823 0.318 1.00 0.00 N ATOM 793 CA GLN A 57 14.227 6.366 1.237 1.00 0.00 C ATOM 794 C GLN A 57 14.055 4.873 1.525 1.00 0.00 C ATOM 795 O GLN A 57 14.983 4.089 1.330 1.00 0.00 O ATOM 796 CB GLN A 57 14.206 7.180 2.533 1.00 0.00 C ATOM 797 CG GLN A 57 14.984 8.487 2.371 1.00 0.00 C ATOM 798 CD GLN A 57 15.837 8.775 3.609 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.342 9.122 4.668 1.00 0.00 O ATOM 800 NE2 GLN A 57 17.142 8.611 3.416 1.00 0.00 N ATOM 0 H GLN A 57 12.528 7.478 0.720 1.00 0.00 H new ATOM 0 HA GLN A 57 15.199 6.517 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.175 7.398 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.639 6.593 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.624 8.427 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.289 9.310 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.490 8.318 2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.796 8.778 4.181 1.00 0.00 H new ATOM 809 N GLU A 58 12.862 4.525 1.984 1.00 0.00 N ATOM 810 CA GLU A 58 12.557 3.140 2.301 1.00 0.00 C ATOM 811 C GLU A 58 12.755 2.257 1.067 1.00 0.00 C ATOM 812 O GLU A 58 13.278 1.149 1.169 1.00 0.00 O ATOM 813 CB GLU A 58 11.136 3.003 2.850 1.00 0.00 C ATOM 814 CG GLU A 58 10.117 3.635 1.899 1.00 0.00 C ATOM 815 CD GLU A 58 8.687 3.286 2.317 1.00 0.00 C ATOM 816 OE1 GLU A 58 8.503 2.989 3.517 1.00 0.00 O ATOM 817 OE2 GLU A 58 7.811 3.323 1.426 1.00 0.00 O ATOM 0 H GLU A 58 12.095 5.178 2.144 1.00 0.00 H new ATOM 0 HA GLU A 58 13.245 2.806 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.898 1.949 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.072 3.482 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.244 4.718 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.298 3.286 0.882 1.00 0.00 H new ATOM 824 N GLY A 59 12.326 2.782 -0.072 1.00 0.00 N ATOM 825 CA GLY A 59 12.449 2.056 -1.324 1.00 0.00 C ATOM 826 C GLY A 59 11.418 0.929 -1.408 1.00 0.00 C ATOM 827 O GLY A 59 11.377 0.192 -2.392 1.00 0.00 O ATOM 0 H GLY A 59 11.893 3.702 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.313 2.741 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.454 1.642 -1.411 1.00 0.00 H new ATOM 831 N THR A 60 10.609 0.831 -0.363 1.00 0.00 N ATOM 832 CA THR A 60 9.581 -0.194 -0.307 1.00 0.00 C ATOM 833 C THR A 60 8.488 0.090 -1.338 1.00 0.00 C ATOM 834 O THR A 60 8.039 -0.816 -2.038 1.00 0.00 O ATOM 835 CB THR A 60 9.058 -0.260 1.130 1.00 0.00 C ATOM 836 OG1 THR A 60 10.128 -0.853 1.862 1.00 0.00 O ATOM 837 CG2 THR A 60 7.904 -1.253 1.288 1.00 0.00 C ATOM 0 H THR A 60 10.645 1.444 0.451 1.00 0.00 H new ATOM 0 HA THR A 60 9.984 -1.173 -0.568 1.00 0.00 H new ATOM 0 HB THR A 60 8.730 0.731 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.875 -0.932 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.570 -1.261 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.077 -0.955 0.643 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.242 -2.251 1.008 1.00 0.00 H new ATOM 845 N ILE A 61 8.090 1.353 -1.400 1.00 0.00 N ATOM 846 CA ILE A 61 7.058 1.768 -2.334 1.00 0.00 C ATOM 847 C ILE A 61 7.712 2.231 -3.637 1.00 0.00 C ATOM 848 O ILE A 61 8.043 3.406 -3.786 1.00 0.00 O ATOM 849 CB ILE A 61 6.148 2.819 -1.695 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.565 2.311 -0.375 1.00 0.00 C ATOM 851 CG2 ILE A 61 5.057 3.265 -2.670 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.618 3.343 0.240 1.00 0.00 C ATOM 0 H ILE A 61 8.464 2.102 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 61 6.410 0.928 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 61 6.751 3.697 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.029 1.377 -0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.373 2.092 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.424 4.012 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.518 3.696 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.451 2.405 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.218 2.956 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.162 4.268 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.798 3.541 -0.450 1.00 0.00 H new ATOM 864 N GLN A 62 7.879 1.283 -4.548 1.00 0.00 N ATOM 865 CA GLN A 62 8.487 1.579 -5.834 1.00 0.00 C ATOM 866 C GLN A 62 7.407 1.794 -6.896 1.00 0.00 C ATOM 867 O GLN A 62 6.375 1.125 -6.881 1.00 0.00 O ATOM 868 CB GLN A 62 9.454 0.469 -6.251 1.00 0.00 C ATOM 869 CG GLN A 62 10.595 0.327 -5.242 1.00 0.00 C ATOM 870 CD GLN A 62 11.408 -0.942 -5.509 1.00 0.00 C ATOM 871 OE1 GLN A 62 11.793 -1.239 -6.628 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.646 -1.670 -4.422 1.00 0.00 N ATOM 0 H GLN A 62 7.604 0.309 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 62 9.062 2.500 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.916 -0.475 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.862 0.689 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.246 1.199 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.189 0.297 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.294 -1.363 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.181 -2.536 -4.495 1.00 0.00 H new ATOM 881 N LYS A 63 7.681 2.731 -7.792 1.00 0.00 N ATOM 882 CA LYS A 63 6.745 3.042 -8.859 1.00 0.00 C ATOM 883 C LYS A 63 6.358 1.752 -9.584 1.00 0.00 C ATOM 884 O LYS A 63 7.225 0.986 -10.002 1.00 0.00 O ATOM 885 CB LYS A 63 7.324 4.116 -9.782 1.00 0.00 C ATOM 886 CG LYS A 63 7.601 3.550 -11.176 1.00 0.00 C ATOM 887 CD LYS A 63 8.435 4.526 -12.009 1.00 0.00 C ATOM 888 CE LYS A 63 9.916 4.437 -11.635 1.00 0.00 C ATOM 889 NZ LYS A 63 10.746 5.147 -12.634 1.00 0.00 N ATOM 0 H LYS A 63 8.538 3.285 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 63 5.828 3.466 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.627 4.951 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.247 4.508 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.127 2.599 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.658 3.347 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.310 4.305 -13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.077 5.543 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.075 4.870 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.220 3.392 -11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.748 5.077 -12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.607 4.716 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.466 6.148 -12.669 1.00 0.00 H new ATOM 903 N GLY A 64 5.054 1.551 -9.712 1.00 0.00 N ATOM 904 CA GLY A 64 4.541 0.367 -10.379 1.00 0.00 C ATOM 905 C GLY A 64 4.202 -0.730 -9.367 1.00 0.00 C ATOM 906 O GLY A 64 4.000 -1.884 -9.741 1.00 0.00 O ATOM 0 H GLY A 64 4.338 2.189 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.651 0.625 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.281 -0.004 -11.089 1.00 0.00 H new ATOM 910 N ASN A 65 4.150 -0.330 -8.105 1.00 0.00 N ATOM 911 CA ASN A 65 3.839 -1.264 -7.036 1.00 0.00 C ATOM 912 C ASN A 65 2.338 -1.220 -6.747 1.00 0.00 C ATOM 913 O ASN A 65 1.770 -0.146 -6.555 1.00 0.00 O ATOM 914 CB ASN A 65 4.579 -0.894 -5.749 1.00 0.00 C ATOM 915 CG ASN A 65 5.986 -1.496 -5.733 1.00 0.00 C ATOM 916 OD1 ASN A 65 6.976 -0.819 -5.507 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.019 -2.801 -5.985 1.00 0.00 N ATOM 0 H ASN A 65 4.318 0.628 -7.799 1.00 0.00 H new ATOM 0 HA ASN A 65 4.148 -2.259 -7.357 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.643 0.191 -5.661 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.017 -1.252 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.911 -3.296 -5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.152 -3.308 -6.166 1.00 0.00 H new ATOM 924 N GLU A 66 1.737 -2.401 -6.726 1.00 0.00 N ATOM 925 CA GLU A 66 0.312 -2.511 -6.464 1.00 0.00 C ATOM 926 C GLU A 66 -0.004 -2.044 -5.042 1.00 0.00 C ATOM 927 O GLU A 66 0.332 -2.722 -4.073 1.00 0.00 O ATOM 928 CB GLU A 66 -0.179 -3.942 -6.693 1.00 0.00 C ATOM 929 CG GLU A 66 -1.421 -4.237 -5.850 1.00 0.00 C ATOM 930 CD GLU A 66 -2.012 -5.603 -6.204 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.317 -6.353 -6.923 1.00 0.00 O ATOM 932 OE2 GLU A 66 -3.146 -5.866 -5.748 1.00 0.00 O ATOM 0 H GLU A 66 2.211 -3.290 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.217 -1.864 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.409 -4.087 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.613 -4.647 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.161 -4.213 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.168 -3.460 -6.013 1.00 0.00 H new ATOM 939 N VAL A 67 -0.646 -0.887 -4.962 1.00 0.00 N ATOM 940 CA VAL A 67 -1.011 -0.321 -3.674 1.00 0.00 C ATOM 941 C VAL A 67 -2.293 -0.990 -3.173 1.00 0.00 C ATOM 942 O VAL A 67 -3.391 -0.488 -3.408 1.00 0.00 O ATOM 943 CB VAL A 67 -1.134 1.199 -3.787 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.610 1.810 -2.467 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.188 1.825 -4.236 1.00 0.00 C ATOM 0 H VAL A 67 -0.923 -0.326 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.233 -0.516 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.883 1.419 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.689 2.892 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.585 1.399 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.895 1.575 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.072 2.906 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.967 1.591 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.468 1.424 -5.210 1.00 0.00 H new ATOM 955 N LEU A 68 -2.110 -2.111 -2.492 1.00 0.00 N ATOM 956 CA LEU A 68 -3.238 -2.853 -1.956 1.00 0.00 C ATOM 957 C LEU A 68 -4.228 -1.877 -1.317 1.00 0.00 C ATOM 958 O LEU A 68 -5.373 -1.774 -1.754 1.00 0.00 O ATOM 959 CB LEU A 68 -2.755 -3.949 -1.004 1.00 0.00 C ATOM 960 CG LEU A 68 -1.779 -4.969 -1.595 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.008 -5.694 -0.490 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.502 -5.945 -2.525 1.00 0.00 C ATOM 0 H LEU A 68 -1.197 -2.524 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.769 -3.369 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.278 -3.474 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.626 -4.485 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.047 -4.432 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.322 -6.413 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.443 -4.969 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.709 -6.217 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.785 -6.659 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.270 -6.480 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.967 -5.393 -3.342 1.00 0.00 H new ATOM 974 N SER A 69 -3.751 -1.185 -0.293 1.00 0.00 N ATOM 975 CA SER A 69 -4.579 -0.220 0.410 1.00 0.00 C ATOM 976 C SER A 69 -3.706 0.892 0.995 1.00 0.00 C ATOM 977 O SER A 69 -2.480 0.831 0.914 1.00 0.00 O ATOM 978 CB SER A 69 -5.391 -0.895 1.517 1.00 0.00 C ATOM 979 OG SER A 69 -4.556 -1.459 2.524 1.00 0.00 O ATOM 0 H SER A 69 -2.801 -1.274 0.067 1.00 0.00 H new ATOM 0 HA SER A 69 -5.279 0.214 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.063 -0.166 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.015 -1.677 1.084 1.00 0.00 H new ATOM 0 HG SER A 69 -5.112 -1.879 3.213 1.00 0.00 H new ATOM 985 N ILE A 70 -4.372 1.882 1.570 1.00 0.00 N ATOM 986 CA ILE A 70 -3.672 3.006 2.168 1.00 0.00 C ATOM 987 C ILE A 70 -4.434 3.474 3.410 1.00 0.00 C ATOM 988 O ILE A 70 -5.597 3.865 3.319 1.00 0.00 O ATOM 989 CB ILE A 70 -3.448 4.110 1.133 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.288 3.759 0.200 1.00 0.00 C ATOM 991 CG2 ILE A 70 -3.247 5.466 1.812 1.00 0.00 C ATOM 992 CD1 ILE A 70 -2.010 4.898 -0.783 1.00 0.00 C ATOM 0 H ILE A 70 -5.389 1.929 1.635 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.678 2.703 2.498 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.344 4.188 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.393 3.555 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.523 2.848 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.090 6.233 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.131 5.713 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.377 5.420 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.181 4.622 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.899 5.083 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.752 5.801 -0.230 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.748 3.417 4.542 1.00 0.00 N ATOM 1005 CA ASN A 71 -4.346 3.830 5.801 1.00 0.00 C ATOM 1006 C ASN A 71 -5.355 2.772 6.252 1.00 0.00 C ATOM 1007 O ASN A 71 -6.044 2.954 7.255 1.00 0.00 O ATOM 1008 CB ASN A 71 -5.090 5.158 5.648 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.269 6.154 4.827 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.649 6.566 3.742 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -3.126 6.518 5.401 1.00 0.00 N ATOM 0 H ASN A 71 -2.784 3.091 4.614 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.546 3.947 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.051 4.987 5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.299 5.577 6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.508 7.180 4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.868 6.135 6.311 1.00 0.00 H new ATOM 1018 N GLY A 72 -5.411 1.690 5.490 1.00 0.00 N ATOM 1019 CA GLY A 72 -6.325 0.603 5.799 1.00 0.00 C ATOM 1020 C GLY A 72 -7.548 0.637 4.881 1.00 0.00 C ATOM 1021 O GLY A 72 -8.483 -0.143 5.057 1.00 0.00 O ATOM 0 H GLY A 72 -4.838 1.542 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.810 -0.352 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.644 0.676 6.839 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.502 1.549 3.920 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.595 1.695 2.974 1.00 0.00 C ATOM 1027 C LYS A 73 -8.329 0.811 1.754 1.00 0.00 C ATOM 1028 O LYS A 73 -7.471 1.126 0.931 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.812 3.170 2.630 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.771 3.829 3.622 1.00 0.00 C ATOM 1031 CD LYS A 73 -10.323 5.142 3.062 1.00 0.00 C ATOM 1032 CE LYS A 73 -10.368 6.224 4.143 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.317 5.848 5.214 1.00 0.00 N ATOM 0 H LYS A 73 -6.725 2.194 3.777 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.531 1.354 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.856 3.694 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.212 3.256 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.594 3.150 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.253 4.020 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.701 5.478 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.324 4.979 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.373 6.367 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.667 7.175 3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.438 6.648 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.236 5.603 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.945 5.028 5.735 1.00 0.00 H new ATOM 1047 N SER A 74 -9.080 -0.277 1.676 1.00 0.00 N ATOM 1048 CA SER A 74 -8.936 -1.208 0.570 1.00 0.00 C ATOM 1049 C SER A 74 -9.578 -0.627 -0.691 1.00 0.00 C ATOM 1050 O SER A 74 -10.653 -0.031 -0.627 1.00 0.00 O ATOM 1051 CB SER A 74 -9.561 -2.564 0.907 1.00 0.00 C ATOM 1052 OG SER A 74 -9.257 -2.977 2.236 1.00 0.00 O ATOM 0 H SER A 74 -9.790 -0.535 2.361 1.00 0.00 H new ATOM 0 HA SER A 74 -7.872 -1.363 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.642 -2.505 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.201 -3.314 0.203 1.00 0.00 H new ATOM 0 HG SER A 74 -9.675 -3.845 2.412 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.893 -0.820 -1.808 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.383 -0.321 -3.082 1.00 0.00 C ATOM 1060 C LEU A 75 -10.508 -1.230 -3.581 1.00 0.00 C ATOM 1061 O LEU A 75 -10.250 -2.256 -4.209 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.230 -0.168 -4.076 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.921 0.382 -3.506 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.782 0.247 -4.518 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.094 1.824 -3.027 1.00 0.00 C ATOM 0 H LEU A 75 -8.003 -1.315 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.806 0.676 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.028 -1.142 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.556 0.489 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.651 -0.216 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.863 0.645 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.640 -0.804 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.030 0.804 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.149 2.190 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.401 2.451 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.856 1.860 -2.248 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.732 -0.820 -3.284 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.898 -1.584 -3.695 1.00 0.00 C ATOM 1079 C LYS A 76 -13.312 -1.157 -5.105 1.00 0.00 C ATOM 1080 O LYS A 76 -14.406 -1.484 -5.560 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.017 -1.452 -2.659 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.298 0.017 -2.340 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.609 0.437 -1.040 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.632 0.663 0.075 1.00 0.00 C ATOM 1085 NZ LYS A 76 -14.140 0.098 1.352 1.00 0.00 N ATOM 0 H LYS A 76 -11.942 0.032 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.660 -2.647 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.924 -1.926 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.737 -1.979 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.949 0.644 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.373 0.175 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.899 -0.332 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.038 1.351 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.822 1.730 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.580 0.198 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.846 0.260 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.981 -0.924 1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.246 0.561 1.615 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.414 -0.432 -5.756 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.672 0.043 -7.105 1.00 0.00 C ATOM 1101 C GLY A 77 -12.677 1.573 -7.156 1.00 0.00 C ATOM 1102 O GLY A 77 -13.325 2.166 -8.016 1.00 0.00 O ATOM 0 H GLY A 77 -11.507 -0.162 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.911 -0.345 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.632 -0.339 -7.452 1.00 0.00 H new ATOM 1106 N THR A 78 -11.947 2.166 -6.223 1.00 0.00 N ATOM 1107 CA THR A 78 -11.859 3.615 -6.151 1.00 0.00 C ATOM 1108 C THR A 78 -11.240 4.176 -7.432 1.00 0.00 C ATOM 1109 O THR A 78 -10.319 3.584 -7.993 1.00 0.00 O ATOM 1110 CB THR A 78 -11.075 3.979 -4.888 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.183 2.819 -4.067 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.758 5.078 -4.072 1.00 0.00 C ATOM 0 H THR A 78 -11.411 1.670 -5.511 1.00 0.00 H new ATOM 0 HA THR A 78 -12.848 4.068 -6.080 1.00 0.00 H new ATOM 0 HB THR A 78 -10.071 4.302 -5.164 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.701 2.967 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.161 5.298 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.851 5.978 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.749 4.742 -3.767 1.00 0.00 H new ATOM 1120 N THR A 79 -11.772 5.312 -7.860 1.00 0.00 N ATOM 1121 CA THR A 79 -11.283 5.960 -9.065 1.00 0.00 C ATOM 1122 C THR A 79 -9.991 6.725 -8.773 1.00 0.00 C ATOM 1123 O THR A 79 -9.752 7.138 -7.639 1.00 0.00 O ATOM 1124 CB THR A 79 -12.403 6.848 -9.612 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.965 7.453 -8.451 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.558 6.036 -10.203 1.00 0.00 C ATOM 0 H THR A 79 -12.537 5.800 -7.394 1.00 0.00 H new ATOM 0 HA THR A 79 -11.025 5.228 -9.830 1.00 0.00 H new ATOM 0 HB THR A 79 -11.998 7.513 -10.375 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.906 8.428 -8.529 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.325 6.714 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.188 5.420 -11.022 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.985 5.395 -9.431 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.190 6.889 -9.816 1.00 0.00 N ATOM 1135 CA HIS A 80 -7.927 7.596 -9.685 1.00 0.00 C ATOM 1136 C HIS A 80 -8.111 8.810 -8.772 1.00 0.00 C ATOM 1137 O HIS A 80 -7.277 9.071 -7.906 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.368 7.968 -11.060 1.00 0.00 C ATOM 1139 CG HIS A 80 -5.966 8.528 -11.023 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -4.915 7.876 -10.401 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.454 9.683 -11.536 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -3.825 8.615 -10.540 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.160 9.735 -11.243 1.00 0.00 N ATOM 0 H HIS A 80 -9.391 6.545 -10.755 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.187 6.944 -9.220 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.378 7.083 -11.696 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.029 8.701 -11.523 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.971 6.979 -9.918 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.007 10.429 -12.087 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.842 8.373 -10.163 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.207 9.519 -8.997 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.511 10.699 -8.205 1.00 0.00 C ATOM 1153 C HIS A 81 -9.819 10.285 -6.765 1.00 0.00 C ATOM 1154 O HIS A 81 -9.144 10.718 -5.832 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.641 11.507 -8.845 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.707 12.943 -8.384 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -11.093 13.980 -9.215 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.433 13.503 -7.171 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -11.049 15.109 -8.523 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.639 14.812 -7.257 1.00 0.00 N ATOM 0 H HIS A 81 -9.896 9.299 -9.717 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.643 11.357 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.518 11.489 -9.928 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.591 11.021 -8.624 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.104 12.972 -6.290 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.295 16.092 -8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.512 15.484 -6.501 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.840 9.451 -6.629 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.247 8.973 -5.318 1.00 0.00 C ATOM 1170 C ASP A 82 -10.022 8.439 -4.572 1.00 0.00 C ATOM 1171 O ASP A 82 -10.004 8.409 -3.343 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.262 7.835 -5.437 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.652 8.256 -5.916 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.716 9.251 -6.670 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.621 7.574 -5.517 1.00 0.00 O ATOM 0 H ASP A 82 -11.397 9.094 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.701 9.806 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.868 7.087 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.360 7.353 -4.465 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.029 8.030 -5.348 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.803 7.499 -4.776 1.00 0.00 C ATOM 1182 C ALA A 83 -6.848 8.653 -4.465 1.00 0.00 C ATOM 1183 O ALA A 83 -6.374 8.784 -3.337 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.191 6.479 -5.738 1.00 0.00 C ATOM 0 H ALA A 83 -9.048 8.056 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.010 6.981 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.271 6.081 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.897 5.665 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.968 6.964 -6.689 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.594 9.460 -5.484 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.704 10.598 -5.333 1.00 0.00 C ATOM 1192 C LEU A 84 -6.049 11.343 -4.042 1.00 0.00 C ATOM 1193 O LEU A 84 -5.165 11.655 -3.246 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.747 11.481 -6.582 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.162 10.868 -7.857 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -6.003 11.241 -9.080 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.693 11.261 -8.030 1.00 0.00 C ATOM 0 H LEU A 84 -6.989 9.348 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.671 10.263 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.785 11.752 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.211 12.406 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.196 9.783 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.566 10.793 -9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.020 10.871 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.023 12.325 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.301 10.813 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.612 12.346 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.118 10.905 -7.175 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.337 11.606 -3.875 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.810 12.308 -2.694 1.00 0.00 C ATOM 1211 C ALA A 85 -7.413 11.519 -1.444 1.00 0.00 C ATOM 1212 O ALA A 85 -6.748 12.050 -0.556 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.322 12.517 -2.796 1.00 0.00 C ATOM 0 H ALA A 85 -8.067 11.346 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.349 13.293 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.677 13.044 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.549 13.107 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.819 11.550 -2.867 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.839 10.265 -1.415 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.537 9.398 -0.289 1.00 0.00 C ATOM 1221 C ILE A 86 -6.046 9.497 0.040 1.00 0.00 C ATOM 1222 O ILE A 86 -5.658 9.434 1.205 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.012 7.971 -0.569 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.336 7.684 0.142 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -6.931 6.951 -0.201 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.401 7.217 -0.852 1.00 0.00 C ATOM 0 H ILE A 86 -8.391 9.829 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.081 9.722 0.598 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.194 7.876 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.185 6.920 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.680 8.582 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.294 5.945 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.034 7.143 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.694 7.039 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.332 7.020 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.567 7.993 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.064 6.305 -1.345 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.250 9.650 -1.009 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.811 9.758 -0.846 1.00 0.00 C ATOM 1240 C LEU A 87 -3.473 11.111 -0.217 1.00 0.00 C ATOM 1241 O LEU A 87 -2.532 11.217 0.567 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.101 9.504 -2.178 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.680 10.060 -2.297 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.698 11.583 -2.442 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.813 9.606 -1.121 1.00 0.00 C ATOM 0 H LEU A 87 -5.575 9.702 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.446 8.990 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.064 8.428 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.706 9.933 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.230 9.656 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.676 11.953 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.256 11.857 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.174 12.026 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.191 10.015 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.250 9.962 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.762 8.517 -1.106 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.260 12.111 -0.585 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.056 13.453 -0.067 1.00 0.00 C ATOM 1259 C ARG A 88 -4.457 13.519 1.408 1.00 0.00 C ATOM 1260 O ARG A 88 -4.138 14.485 2.099 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.873 14.479 -0.856 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.182 14.831 -2.176 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.993 15.865 -2.959 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.421 17.215 -2.758 1.00 0.00 N ATOM 1265 CZ ARG A 88 -3.241 17.612 -3.253 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -2.501 16.766 -3.981 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -2.801 18.856 -3.020 1.00 0.00 N ATOM 0 H ARG A 88 -5.040 12.019 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.997 13.691 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.868 14.081 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.005 15.381 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.184 15.222 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.057 13.930 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.990 15.614 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.032 15.849 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.959 17.885 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.836 15.819 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.603 17.069 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.364 19.501 -2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.903 19.158 -3.397 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.149 12.478 1.847 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.597 12.406 3.228 1.00 0.00 C ATOM 1283 C GLN A 89 -4.559 11.678 4.084 1.00 0.00 C ATOM 1284 O GLN A 89 -4.470 11.911 5.289 1.00 0.00 O ATOM 1285 CB GLN A 89 -6.963 11.725 3.326 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.052 12.584 2.679 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.338 12.555 3.507 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.377 12.063 4.623 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.384 13.109 2.901 1.00 0.00 N ATOM 0 H GLN A 89 -5.410 11.678 1.271 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.706 13.422 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.924 10.752 2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.210 11.546 4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.700 13.611 2.583 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.256 12.221 1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.282 13.503 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.288 13.140 3.372 1.00 0.00 H new ATOM 1298 N ALA A 90 -3.800 10.812 3.430 1.00 0.00 N ATOM 1299 CA ALA A 90 -2.772 10.049 4.116 1.00 0.00 C ATOM 1300 C ALA A 90 -1.576 10.958 4.407 1.00 0.00 C ATOM 1301 O ALA A 90 -0.642 10.559 5.100 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.388 8.833 3.271 1.00 0.00 C ATOM 0 H ALA A 90 -3.877 10.622 2.431 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.144 9.678 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.617 8.261 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.265 8.204 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.008 9.166 2.305 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.645 12.164 3.862 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.580 13.134 4.054 1.00 0.00 C ATOM 1310 C ARG A 91 -0.944 14.107 5.177 1.00 0.00 C ATOM 1311 O ARG A 91 -0.135 14.952 5.557 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.315 13.923 2.770 1.00 0.00 C ATOM 1313 CG ARG A 91 -1.267 15.115 2.653 1.00 0.00 C ATOM 1314 CD ARG A 91 -1.476 15.508 1.189 1.00 0.00 C ATOM 1315 NE ARG A 91 -1.183 16.947 1.006 1.00 0.00 N ATOM 1316 CZ ARG A 91 0.046 17.478 1.067 1.00 0.00 C ATOM 1317 NH1 ARG A 91 1.104 16.691 1.308 1.00 0.00 N ATOM 1318 NH2 ARG A 91 0.217 18.795 0.888 1.00 0.00 N ATOM 0 H ARG A 91 -2.422 12.491 3.288 1.00 0.00 H new ATOM 0 HA ARG A 91 0.323 12.586 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.717 14.275 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.436 13.270 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.226 14.865 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.864 15.963 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.827 14.912 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.502 15.296 0.890 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.966 17.574 0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.973 15.689 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.040 17.094 1.355 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.588 19.394 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.153 19.199 0.935 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.162 13.956 5.675 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.643 14.811 6.747 1.00 0.00 C ATOM 1334 C GLU A 92 -1.972 14.434 8.069 1.00 0.00 C ATOM 1335 O GLU A 92 -1.540 15.306 8.821 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.167 14.738 6.865 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.831 14.887 5.494 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.183 16.349 5.213 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -4.289 17.062 4.707 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -6.339 16.722 5.509 1.00 0.00 O ATOM 0 H GLU A 92 -2.830 13.255 5.356 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.379 15.841 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.456 13.786 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.522 15.524 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.161 14.515 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.734 14.278 5.455 1.00 0.00 H new ATOM 1347 N PRO A 93 -1.904 13.099 8.319 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.293 12.595 9.537 1.00 0.00 C ATOM 1349 C PRO A 93 0.232 12.694 9.467 1.00 0.00 C ATOM 1350 O PRO A 93 0.776 13.307 8.550 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.790 11.164 9.664 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.282 10.769 8.281 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.406 12.037 7.451 1.00 0.00 C ATOM 0 HA PRO A 93 -1.567 13.177 10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.992 10.502 9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.592 11.093 10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.586 10.073 7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.244 10.261 8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.823 11.968 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.440 12.220 7.159 1.00 0.00 H new ATOM 1361 N ARG A 94 0.878 12.082 10.448 1.00 0.00 N ATOM 1362 CA ARG A 94 2.330 12.094 10.510 1.00 0.00 C ATOM 1363 C ARG A 94 2.892 10.750 10.043 1.00 0.00 C ATOM 1364 O ARG A 94 4.091 10.625 9.799 1.00 0.00 O ATOM 1365 CB ARG A 94 2.819 12.378 11.931 1.00 0.00 C ATOM 1366 CG ARG A 94 3.184 13.854 12.102 1.00 0.00 C ATOM 1367 CD ARG A 94 2.302 14.518 13.161 1.00 0.00 C ATOM 1368 NE ARG A 94 2.609 13.959 14.497 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.682 14.299 15.225 1.00 0.00 C ATOM 1370 NH1 ARG A 94 4.557 15.196 14.750 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.880 13.741 16.427 1.00 0.00 N ATOM 0 H ARG A 94 0.423 11.574 11.207 1.00 0.00 H new ATOM 0 HA ARG A 94 2.683 12.888 9.852 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.043 12.106 12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.688 11.757 12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.232 13.942 12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.069 14.373 11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.468 15.595 13.161 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.250 14.358 12.923 1.00 0.00 H new ATOM 0 HE ARG A 94 1.964 13.272 14.888 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.406 15.620 13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.373 15.455 15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.214 13.058 16.788 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.696 14.000 16.981 1.00 0.00 H new ATOM 1385 N GLN A 95 1.999 9.777 9.933 1.00 0.00 N ATOM 1386 CA GLN A 95 2.391 8.447 9.499 1.00 0.00 C ATOM 1387 C GLN A 95 1.466 7.959 8.382 1.00 0.00 C ATOM 1388 O GLN A 95 0.275 8.265 8.379 1.00 0.00 O ATOM 1389 CB GLN A 95 2.396 7.467 10.674 1.00 0.00 C ATOM 1390 CG GLN A 95 3.146 6.183 10.314 1.00 0.00 C ATOM 1391 CD GLN A 95 2.839 5.069 11.317 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.622 4.761 12.200 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.658 4.485 11.132 1.00 0.00 N ATOM 0 H GLN A 95 1.005 9.883 10.137 1.00 0.00 H new ATOM 0 HA GLN A 95 3.407 8.498 9.106 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.864 7.935 11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.371 7.227 10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.864 5.862 9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.219 6.377 10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.051 4.792 10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.360 3.730 11.750 1.00 0.00 H new ATOM 1402 N ALA A 96 2.050 7.206 7.461 1.00 0.00 N ATOM 1403 CA ALA A 96 1.293 6.673 6.341 1.00 0.00 C ATOM 1404 C ALA A 96 1.398 5.146 6.342 1.00 0.00 C ATOM 1405 O ALA A 96 2.457 4.593 6.633 1.00 0.00 O ATOM 1406 CB ALA A 96 1.804 7.291 5.038 1.00 0.00 C ATOM 0 H ALA A 96 3.038 6.953 7.468 1.00 0.00 H new ATOM 0 HA ALA A 96 0.238 6.932 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.236 6.891 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.682 8.373 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.859 7.050 4.910 1.00 0.00 H new ATOM 1412 N VAL A 97 0.284 4.509 6.013 1.00 0.00 N ATOM 1413 CA VAL A 97 0.237 3.057 5.973 1.00 0.00 C ATOM 1414 C VAL A 97 -0.120 2.602 4.556 1.00 0.00 C ATOM 1415 O VAL A 97 -1.192 2.925 4.048 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.738 2.535 7.030 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.388 1.226 6.579 1.00 0.00 C ATOM 1418 CG2 VAL A 97 -0.040 2.364 8.381 1.00 0.00 C ATOM 0 H VAL A 97 -0.593 4.971 5.772 1.00 0.00 H new ATOM 0 HA VAL A 97 1.213 2.637 6.215 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.528 3.276 7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.076 0.877 7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.935 1.392 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.616 0.474 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.755 1.992 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.780 1.653 8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.353 3.325 8.712 1.00 0.00 H new ATOM 1428 N ILE A 98 0.801 1.860 3.958 1.00 0.00 N ATOM 1429 CA ILE A 98 0.598 1.358 2.610 1.00 0.00 C ATOM 1430 C ILE A 98 1.013 -0.114 2.551 1.00 0.00 C ATOM 1431 O ILE A 98 2.156 -0.452 2.853 1.00 0.00 O ATOM 1432 CB ILE A 98 1.322 2.243 1.593 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.018 3.722 1.840 1.00 0.00 C ATOM 1434 CG2 ILE A 98 0.987 1.820 0.162 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.091 4.362 2.724 1.00 0.00 C ATOM 0 H ILE A 98 1.690 1.595 4.383 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.457 1.403 2.342 1.00 0.00 H new ATOM 0 HB ILE A 98 2.396 2.108 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.964 4.250 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.042 3.822 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.514 2.465 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.295 0.786 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.087 1.907 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.851 5.413 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.126 3.847 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.061 4.282 2.234 1.00 0.00 H new ATOM 1447 N VAL A 99 0.062 -0.949 2.159 1.00 0.00 N ATOM 1448 CA VAL A 99 0.315 -2.376 2.056 1.00 0.00 C ATOM 1449 C VAL A 99 0.630 -2.730 0.601 1.00 0.00 C ATOM 1450 O VAL A 99 -0.232 -2.619 -0.269 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.873 -3.160 2.618 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.448 -4.566 3.047 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.527 -2.406 3.778 1.00 0.00 C ATOM 0 H VAL A 99 -0.885 -0.665 1.909 1.00 0.00 H new ATOM 0 HA VAL A 99 1.183 -2.654 2.654 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.614 -3.262 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.311 -5.102 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.050 -5.104 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.320 -4.495 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.368 -2.984 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.797 -2.259 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.882 -1.437 3.428 1.00 0.00 H new ATOM 1463 N THR A 100 1.868 -3.148 0.382 1.00 0.00 N ATOM 1464 CA THR A 100 2.307 -3.520 -0.952 1.00 0.00 C ATOM 1465 C THR A 100 3.036 -4.864 -0.919 1.00 0.00 C ATOM 1466 O THR A 100 3.550 -5.270 0.122 1.00 0.00 O ATOM 1467 CB THR A 100 3.164 -2.377 -1.503 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.251 -2.285 -0.585 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.468 -1.019 -1.394 1.00 0.00 C ATOM 0 H THR A 100 2.581 -3.237 1.106 1.00 0.00 H new ATOM 0 HA THR A 100 1.459 -3.663 -1.622 1.00 0.00 H new ATOM 0 HB THR A 100 3.409 -2.577 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.870 -3.030 -0.735 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.118 -0.243 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.536 -1.042 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.253 -0.803 -0.347 1.00 0.00 H new ATOM 1477 N ARG A 101 3.059 -5.518 -2.071 1.00 0.00 N ATOM 1478 CA ARG A 101 3.716 -6.808 -2.187 1.00 0.00 C ATOM 1479 C ARG A 101 4.641 -6.825 -3.406 1.00 0.00 C ATOM 1480 O ARG A 101 4.489 -6.012 -4.316 1.00 0.00 O ATOM 1481 CB ARG A 101 2.693 -7.938 -2.316 1.00 0.00 C ATOM 1482 CG ARG A 101 1.939 -7.847 -3.645 1.00 0.00 C ATOM 1483 CD ARG A 101 0.444 -7.622 -3.412 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.345 -8.490 -4.316 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.366 -9.827 -4.243 1.00 0.00 C ATOM 1486 NH1 ARG A 101 0.357 -10.460 -3.309 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -1.111 -10.533 -5.105 1.00 0.00 N ATOM 0 H ARG A 101 2.633 -5.178 -2.933 1.00 0.00 H new ATOM 0 HA ARG A 101 4.301 -6.965 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.199 -8.901 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.985 -7.889 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.345 -7.030 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.088 -8.764 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.192 -7.840 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.193 -6.576 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.907 -8.042 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.924 -9.923 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.340 -11.478 -3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.662 -10.052 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.127 -11.551 -5.050 1.00 0.00 H new