USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 885 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 96 THR OG1 : rot 94:sc= 0.23 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 0.391 F(o=-0.18,f=0.62) USER MOD Set 2.1: A 79 SER OG : rot 159:sc= -0.805! USER MOD Set 2.2: A 82 THR OG1 : rot 144:sc= 0.0276 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 172:sc= -0.414 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 24 SER OG : rot 83:sc= -0.0211 USER MOD Single : A 27 SER OG : rot -61:sc= 0.932 USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0569) USER MOD Single : A 29 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.3!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.51) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.556 F(o=-1.4,f=-0.56) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.292) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -143:sc= -3.26 (180deg=-5.57!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.16 K(o=-2.2,f=-5.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.114) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0.0113 (180deg=0.00523) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -135:sc= 0 (180deg=-0.168) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0027 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 87 ASN : amide:sc= -0.0466 K(o=-0.047,f=-1.4!) USER MOD Single : A 92 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.6!) USER MOD Single : A 98 THR OG1 : rot -90:sc= -2.22! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-11!) USER MOD Single : B 9 SER OG : rot 176:sc= 0.219 USER MOD Single : B 10 SER OG : rot -161:sc= 0.751 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.459 -12.500 -5.382 1.00 0.00 N ATOM 223 CA ILE A 14 1.757 -11.751 -5.151 1.00 0.00 C ATOM 224 C ILE A 14 1.484 -10.309 -4.645 1.00 0.00 C ATOM 225 O ILE A 14 2.248 -9.774 -3.863 1.00 0.00 O ATOM 226 CB ILE A 14 2.505 -11.759 -6.514 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.007 -11.494 -6.297 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.920 -10.717 -7.482 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.241 -10.094 -5.716 1.00 0.00 C ATOM 0 HA ILE A 14 2.363 -12.224 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 14 2.374 -12.744 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.418 -12.245 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.538 -11.592 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.466 -10.749 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.868 -10.939 -7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.010 -9.723 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.310 -9.933 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.850 -9.344 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.730 -10.008 -4.757 1.00 0.00 H new ATOM 241 N GLU A 15 0.402 -9.684 -5.073 1.00 0.00 N ATOM 242 CA GLU A 15 0.106 -8.281 -4.584 1.00 0.00 C ATOM 243 C GLU A 15 0.051 -8.259 -3.046 1.00 0.00 C ATOM 244 O GLU A 15 0.452 -7.293 -2.430 1.00 0.00 O ATOM 245 CB GLU A 15 -1.261 -7.867 -5.173 1.00 0.00 C ATOM 246 CG GLU A 15 -1.155 -6.472 -5.793 1.00 0.00 C ATOM 247 CD GLU A 15 -2.437 -6.157 -6.567 1.00 0.00 C ATOM 248 OE1 GLU A 15 -3.490 -6.597 -6.135 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.344 -5.481 -7.578 1.00 0.00 O ATOM 0 H GLU A 15 -0.278 -10.072 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 15 0.886 -7.589 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.576 -8.588 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.021 -7.871 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.996 -5.727 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.294 -6.424 -6.460 1.00 0.00 H new ATOM 256 N GLY A 16 -0.432 -9.312 -2.415 1.00 0.00 N ATOM 257 CA GLY A 16 -0.488 -9.327 -0.919 1.00 0.00 C ATOM 258 C GLY A 16 0.930 -9.168 -0.344 1.00 0.00 C ATOM 259 O GLY A 16 1.122 -8.499 0.653 1.00 0.00 O ATOM 0 H GLY A 16 -0.786 -10.153 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.128 -8.520 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.929 -10.261 -0.572 1.00 0.00 H new ATOM 263 N ARG A 17 1.930 -9.770 -0.966 1.00 0.00 N ATOM 264 CA ARG A 17 3.335 -9.626 -0.431 1.00 0.00 C ATOM 265 C ARG A 17 3.733 -8.143 -0.332 1.00 0.00 C ATOM 266 O ARG A 17 4.563 -7.791 0.480 1.00 0.00 O ATOM 267 CB ARG A 17 4.268 -10.356 -1.415 1.00 0.00 C ATOM 268 CG ARG A 17 4.487 -11.802 -0.949 1.00 0.00 C ATOM 269 CD ARG A 17 5.914 -11.967 -0.417 1.00 0.00 C ATOM 270 NE ARG A 17 5.809 -12.990 0.661 1.00 0.00 N ATOM 271 CZ ARG A 17 6.254 -12.722 1.859 1.00 0.00 C ATOM 272 NH1 ARG A 17 7.461 -12.251 2.016 1.00 0.00 N ATOM 273 NH2 ARG A 17 5.492 -12.924 2.899 1.00 0.00 N ATOM 0 H ARG A 17 1.838 -10.344 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 17 3.406 -10.051 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.834 -10.348 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.224 -9.836 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.768 -12.055 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.316 -12.490 -1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.593 -12.292 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.302 -11.025 -0.030 1.00 0.00 H new ATOM 0 HE ARG A 17 5.390 -13.899 0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.056 -12.092 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.809 -12.041 2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.548 -13.291 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.840 -12.715 3.835 1.00 0.00 H new ATOM 287 N TYR A 18 3.161 -7.263 -1.137 1.00 0.00 N ATOM 288 CA TYR A 18 3.550 -5.807 -1.035 1.00 0.00 C ATOM 289 C TYR A 18 3.311 -5.304 0.396 1.00 0.00 C ATOM 290 O TYR A 18 4.127 -4.589 0.947 1.00 0.00 O ATOM 291 CB TYR A 18 2.652 -5.028 -2.015 1.00 0.00 C ATOM 292 CG TYR A 18 3.281 -4.963 -3.390 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.858 -6.104 -3.967 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.268 -3.754 -4.094 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.424 -6.029 -5.245 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.831 -3.682 -5.372 1.00 0.00 C ATOM 297 CZ TYR A 18 4.411 -4.818 -5.948 1.00 0.00 C ATOM 298 OH TYR A 18 4.966 -4.746 -7.209 1.00 0.00 O ATOM 0 H TYR A 18 2.459 -7.482 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 18 4.604 -5.669 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.676 -5.508 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.486 -4.019 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.866 -7.039 -3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.823 -2.876 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.871 -6.906 -5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.818 -2.749 -5.915 1.00 0.00 H new ATOM 0 HH TYR A 18 4.872 -3.834 -7.556 1.00 0.00 H new ATOM 308 N ALA A 19 2.209 -5.686 1.009 1.00 0.00 N ATOM 309 CA ALA A 19 1.957 -5.227 2.421 1.00 0.00 C ATOM 310 C ALA A 19 2.844 -6.023 3.386 1.00 0.00 C ATOM 311 O ALA A 19 3.346 -5.483 4.354 1.00 0.00 O ATOM 312 CB ALA A 19 0.473 -5.486 2.736 1.00 0.00 C ATOM 0 H ALA A 19 1.487 -6.282 0.604 1.00 0.00 H new ATOM 0 HA ALA A 19 2.190 -4.168 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.256 -5.164 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.150 -4.927 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.261 -6.551 2.639 1.00 0.00 H new ATOM 318 N THR A 20 3.046 -7.303 3.135 1.00 0.00 N ATOM 319 CA THR A 20 3.911 -8.106 4.061 1.00 0.00 C ATOM 320 C THR A 20 5.389 -7.740 3.869 1.00 0.00 C ATOM 321 O THR A 20 6.144 -7.733 4.824 1.00 0.00 O ATOM 322 CB THR A 20 3.660 -9.593 3.746 1.00 0.00 C ATOM 323 OG1 THR A 20 2.670 -9.708 2.729 1.00 0.00 O ATOM 324 CG2 THR A 20 3.175 -10.303 5.015 1.00 0.00 C ATOM 0 H THR A 20 2.656 -7.815 2.344 1.00 0.00 H new ATOM 0 HA THR A 20 3.665 -7.896 5.102 1.00 0.00 H new ATOM 0 HB THR A 20 4.586 -10.052 3.399 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.605 -10.642 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.996 -11.356 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.934 -10.217 5.793 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.250 -9.841 5.359 1.00 0.00 H new ATOM 332 N ALA A 21 5.814 -7.401 2.666 1.00 0.00 N ATOM 333 CA ALA A 21 7.252 -7.003 2.490 1.00 0.00 C ATOM 334 C ALA A 21 7.466 -5.550 2.955 1.00 0.00 C ATOM 335 O ALA A 21 8.593 -5.116 3.103 1.00 0.00 O ATOM 336 CB ALA A 21 7.575 -7.149 0.995 1.00 0.00 C ATOM 0 H ALA A 21 5.243 -7.383 1.821 1.00 0.00 H new ATOM 0 HA ALA A 21 7.909 -7.633 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.614 -6.870 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.420 -8.184 0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.920 -6.498 0.416 1.00 0.00 H new ATOM 342 N LEU A 22 6.408 -4.799 3.220 1.00 0.00 N ATOM 343 CA LEU A 22 6.601 -3.395 3.707 1.00 0.00 C ATOM 344 C LEU A 22 6.414 -3.382 5.222 1.00 0.00 C ATOM 345 O LEU A 22 7.205 -2.793 5.937 1.00 0.00 O ATOM 346 CB LEU A 22 5.531 -2.541 3.015 1.00 0.00 C ATOM 347 CG LEU A 22 5.655 -1.082 3.480 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.438 -0.274 2.444 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.258 -0.479 3.655 1.00 0.00 C ATOM 0 H LEU A 22 5.438 -5.098 3.120 1.00 0.00 H new ATOM 0 HA LEU A 22 7.594 -3.006 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.649 -2.600 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.538 -2.925 3.249 1.00 0.00 H new ATOM 0 HG LEU A 22 6.184 -1.052 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.523 0.760 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.434 -0.701 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.915 -0.305 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.347 0.556 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.726 -0.512 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.706 -1.051 4.400 1.00 0.00 H new ATOM 361 N TYR A 23 5.398 -4.051 5.726 1.00 0.00 N ATOM 362 CA TYR A 23 5.220 -4.083 7.201 1.00 0.00 C ATOM 363 C TYR A 23 6.272 -5.029 7.832 1.00 0.00 C ATOM 364 O TYR A 23 6.487 -4.969 9.023 1.00 0.00 O ATOM 365 CB TYR A 23 3.739 -4.499 7.463 1.00 0.00 C ATOM 366 CG TYR A 23 3.629 -5.830 8.164 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.984 -5.936 9.507 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.183 -6.945 7.465 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.897 -7.164 10.159 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.092 -8.178 8.106 1.00 0.00 C ATOM 371 CZ TYR A 23 3.453 -8.294 9.458 1.00 0.00 C ATOM 372 OH TYR A 23 3.364 -9.515 10.094 1.00 0.00 O ATOM 0 H TYR A 23 4.702 -4.564 5.185 1.00 0.00 H new ATOM 0 HA TYR A 23 5.390 -3.115 7.673 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.251 -3.733 8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.205 -4.546 6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.327 -5.064 10.044 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.907 -6.855 6.425 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.171 -7.245 11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.744 -9.045 7.563 1.00 0.00 H new ATOM 0 HH TYR A 23 3.038 -10.190 9.463 1.00 0.00 H new ATOM 382 N SER A 24 6.953 -5.887 7.061 1.00 0.00 N ATOM 383 CA SER A 24 8.002 -6.784 7.693 1.00 0.00 C ATOM 384 C SER A 24 8.953 -5.913 8.531 1.00 0.00 C ATOM 385 O SER A 24 9.297 -6.257 9.646 1.00 0.00 O ATOM 386 CB SER A 24 8.765 -7.464 6.547 1.00 0.00 C ATOM 387 OG SER A 24 9.415 -6.474 5.761 1.00 0.00 O ATOM 0 H SER A 24 6.829 -5.998 6.055 1.00 0.00 H new ATOM 0 HA SER A 24 7.555 -7.536 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.497 -8.165 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.077 -8.041 5.929 1.00 0.00 H new ATOM 0 HG SER A 24 10.269 -6.234 6.178 1.00 0.00 H new ATOM 393 N ALA A 25 9.312 -4.747 8.028 1.00 0.00 N ATOM 394 CA ALA A 25 10.162 -3.824 8.843 1.00 0.00 C ATOM 395 C ALA A 25 9.248 -3.186 9.900 1.00 0.00 C ATOM 396 O ALA A 25 9.621 -3.050 11.050 1.00 0.00 O ATOM 397 CB ALA A 25 10.720 -2.758 7.888 1.00 0.00 C ATOM 0 H ALA A 25 9.055 -4.404 7.102 1.00 0.00 H new ATOM 0 HA ALA A 25 10.989 -4.333 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.348 -2.063 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.314 -3.240 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.895 -2.214 7.428 1.00 0.00 H new ATOM 403 N ALA A 26 8.029 -2.815 9.522 1.00 0.00 N ATOM 404 CA ALA A 26 7.082 -2.212 10.532 1.00 0.00 C ATOM 405 C ALA A 26 6.899 -3.167 11.728 1.00 0.00 C ATOM 406 O ALA A 26 6.796 -2.728 12.856 1.00 0.00 O ATOM 407 CB ALA A 26 5.735 -2.014 9.814 1.00 0.00 C ATOM 0 H ALA A 26 7.659 -2.903 8.576 1.00 0.00 H new ATOM 0 HA ALA A 26 7.471 -1.268 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.014 -1.579 10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.871 -1.346 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.365 -2.977 9.463 1.00 0.00 H new ATOM 413 N SER A 27 6.868 -4.472 11.498 1.00 0.00 N ATOM 414 CA SER A 27 6.701 -5.436 12.655 1.00 0.00 C ATOM 415 C SER A 27 7.795 -5.171 13.702 1.00 0.00 C ATOM 416 O SER A 27 7.533 -5.165 14.890 1.00 0.00 O ATOM 417 CB SER A 27 6.858 -6.851 12.077 1.00 0.00 C ATOM 418 OG SER A 27 8.200 -7.037 11.648 1.00 0.00 O ATOM 0 H SER A 27 6.949 -4.905 10.578 1.00 0.00 H new ATOM 0 HA SER A 27 5.730 -5.318 13.137 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.599 -7.595 12.830 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.174 -6.993 11.240 1.00 0.00 H new ATOM 0 HG SER A 27 8.412 -6.387 10.946 1.00 0.00 H new ATOM 424 N LYS A 28 9.018 -4.926 13.267 1.00 0.00 N ATOM 425 CA LYS A 28 10.114 -4.632 14.256 1.00 0.00 C ATOM 426 C LYS A 28 9.887 -3.236 14.860 1.00 0.00 C ATOM 427 O LYS A 28 10.081 -3.034 16.044 1.00 0.00 O ATOM 428 CB LYS A 28 11.438 -4.669 13.476 1.00 0.00 C ATOM 429 CG LYS A 28 12.562 -5.151 14.397 1.00 0.00 C ATOM 430 CD LYS A 28 13.913 -4.728 13.819 1.00 0.00 C ATOM 431 CE LYS A 28 15.002 -5.683 14.312 1.00 0.00 C ATOM 432 NZ LYS A 28 14.931 -6.853 13.393 1.00 0.00 N ATOM 0 H LYS A 28 9.300 -4.917 12.287 1.00 0.00 H new ATOM 0 HA LYS A 28 10.129 -5.357 15.069 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.347 -5.334 12.617 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.671 -3.677 13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.434 -4.731 15.395 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.522 -6.235 14.500 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.873 -4.737 12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.146 -3.707 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.985 -5.213 14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.827 -5.981 15.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.044 -7.731 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.009 -6.861 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.690 -6.785 12.686 1.00 0.00 H new ATOM 446 N GLN A 29 9.457 -2.275 14.062 1.00 0.00 N ATOM 447 CA GLN A 29 9.200 -0.901 14.621 1.00 0.00 C ATOM 448 C GLN A 29 7.820 -0.821 15.316 1.00 0.00 C ATOM 449 O GLN A 29 7.482 0.201 15.881 1.00 0.00 O ATOM 450 CB GLN A 29 9.249 0.069 13.431 1.00 0.00 C ATOM 451 CG GLN A 29 10.631 0.010 12.781 1.00 0.00 C ATOM 452 CD GLN A 29 10.502 0.283 11.277 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.018 -0.553 10.541 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.915 1.425 10.781 1.00 0.00 N ATOM 0 H GLN A 29 9.276 -2.381 13.064 1.00 0.00 H new ATOM 0 HA GLN A 29 9.946 -0.653 15.376 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.482 -0.193 12.703 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.036 1.084 13.767 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.292 0.746 13.239 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.081 -0.969 12.946 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.322 2.130 11.395 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.829 1.608 9.781 1.00 0.00 H new ATOM 463 N ASN A 30 7.008 -1.876 15.282 1.00 0.00 N ATOM 464 CA ASN A 30 5.657 -1.839 15.940 1.00 0.00 C ATOM 465 C ASN A 30 4.737 -0.874 15.187 1.00 0.00 C ATOM 466 O ASN A 30 3.977 -0.139 15.791 1.00 0.00 O ATOM 467 CB ASN A 30 5.872 -1.378 17.392 1.00 0.00 C ATOM 468 CG ASN A 30 4.814 -2.024 18.296 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.753 -1.467 18.495 1.00 0.00 O ATOM 470 ND2 ASN A 30 5.054 -3.185 18.858 1.00 0.00 N ATOM 0 H ASN A 30 7.233 -2.758 14.823 1.00 0.00 H new ATOM 0 HA ASN A 30 5.183 -2.820 15.925 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.871 -1.655 17.728 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.804 -0.292 17.454 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.351 -3.616 19.459 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.943 -3.657 18.694 1.00 0.00 H new ATOM 477 N LYS A 31 4.786 -0.879 13.870 1.00 0.00 N ATOM 478 CA LYS A 31 3.893 0.032 13.091 1.00 0.00 C ATOM 479 C LYS A 31 2.743 -0.747 12.411 1.00 0.00 C ATOM 480 O LYS A 31 2.077 -0.211 11.548 1.00 0.00 O ATOM 481 CB LYS A 31 4.794 0.682 12.036 1.00 0.00 C ATOM 482 CG LYS A 31 5.372 1.988 12.588 1.00 0.00 C ATOM 483 CD LYS A 31 6.302 1.683 13.764 1.00 0.00 C ATOM 484 CE LYS A 31 7.275 2.848 13.958 1.00 0.00 C ATOM 485 NZ LYS A 31 7.742 2.728 15.368 1.00 0.00 N ATOM 0 H LYS A 31 5.401 -1.470 13.311 1.00 0.00 H new ATOM 0 HA LYS A 31 3.420 0.769 13.740 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.601 0.002 11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.224 0.880 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.919 2.514 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.565 2.646 12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.719 1.527 14.672 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.853 0.762 13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.109 2.786 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.784 3.806 13.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.625 3.265 15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.016 3.108 16.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.912 1.727 15.593 1.00 0.00 H new ATOM 499 N LEU A 32 2.479 -1.996 12.796 1.00 0.00 N ATOM 500 CA LEU A 32 1.342 -2.775 12.163 1.00 0.00 C ATOM 501 C LEU A 32 0.069 -1.912 12.133 1.00 0.00 C ATOM 502 O LEU A 32 -0.664 -1.925 11.165 1.00 0.00 O ATOM 503 CB LEU A 32 1.139 -4.018 13.059 1.00 0.00 C ATOM 504 CG LEU A 32 2.063 -5.179 12.623 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.469 -5.853 11.391 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.485 -4.683 12.307 1.00 0.00 C ATOM 0 H LEU A 32 2.998 -2.501 13.514 1.00 0.00 H new ATOM 0 HA LEU A 32 1.562 -3.060 11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.343 -3.758 14.098 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.099 -4.339 13.009 1.00 0.00 H new ATOM 0 HG LEU A 32 2.134 -5.889 13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.115 -6.673 11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.479 -6.242 11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.387 -5.126 10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.106 -5.526 12.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.445 -3.953 11.498 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.914 -4.217 13.194 1.00 0.00 H new ATOM 518 N GLU A 33 -0.171 -1.126 13.162 1.00 0.00 N ATOM 519 CA GLU A 33 -1.377 -0.229 13.136 1.00 0.00 C ATOM 520 C GLU A 33 -1.078 0.943 12.187 1.00 0.00 C ATOM 521 O GLU A 33 -1.909 1.327 11.387 1.00 0.00 O ATOM 522 CB GLU A 33 -1.593 0.275 14.571 1.00 0.00 C ATOM 523 CG GLU A 33 -2.062 -0.883 15.455 1.00 0.00 C ATOM 524 CD GLU A 33 -1.733 -0.577 16.917 1.00 0.00 C ATOM 525 OE1 GLU A 33 -1.871 0.571 17.307 1.00 0.00 O ATOM 526 OE2 GLU A 33 -1.348 -1.496 17.622 1.00 0.00 O ATOM 0 H GLU A 33 0.403 -1.067 14.003 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.272 -0.745 12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.666 0.694 14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.333 1.075 14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.135 -1.033 15.337 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.575 -1.809 15.148 1.00 0.00 H new ATOM 533 N GLN A 34 0.121 1.497 12.253 1.00 0.00 N ATOM 534 CA GLN A 34 0.478 2.630 11.325 1.00 0.00 C ATOM 535 C GLN A 34 0.356 2.186 9.859 1.00 0.00 C ATOM 536 O GLN A 34 0.095 3.000 8.992 1.00 0.00 O ATOM 537 CB GLN A 34 1.935 3.014 11.642 1.00 0.00 C ATOM 538 CG GLN A 34 2.026 3.563 13.076 1.00 0.00 C ATOM 539 CD GLN A 34 2.469 5.032 13.047 1.00 0.00 C ATOM 540 OE1 GLN A 34 1.661 5.950 12.574 1.00 0.00 O flip ATOM 541 NE2 GLN A 34 3.566 5.351 13.463 1.00 0.00 N flip ATOM 0 H GLN A 34 0.857 1.217 12.901 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.195 3.475 11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.582 2.144 11.534 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.286 3.763 10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.058 3.476 13.570 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.734 2.972 13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.198 4.640 13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.854 6.329 13.443 1.00 0.00 H new ATOM 550 N VAL A 35 0.554 0.914 9.558 1.00 0.00 N ATOM 551 CA VAL A 35 0.457 0.472 8.127 1.00 0.00 C ATOM 552 C VAL A 35 -0.862 -0.289 7.869 1.00 0.00 C ATOM 553 O VAL A 35 -1.474 -0.117 6.831 1.00 0.00 O ATOM 554 CB VAL A 35 1.667 -0.457 7.848 1.00 0.00 C ATOM 555 CG1 VAL A 35 2.038 -0.356 6.369 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.904 -0.080 8.695 1.00 0.00 C ATOM 0 H VAL A 35 0.774 0.179 10.230 1.00 0.00 H new ATOM 0 HA VAL A 35 0.467 1.339 7.467 1.00 0.00 H new ATOM 0 HB VAL A 35 1.374 -1.472 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.888 -1.006 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.189 -0.664 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.302 0.674 6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.724 -0.759 8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.204 0.942 8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.657 -0.157 9.754 1.00 0.00 H new ATOM 566 N GLU A 36 -1.303 -1.132 8.784 1.00 0.00 N ATOM 567 CA GLU A 36 -2.586 -1.892 8.539 1.00 0.00 C ATOM 568 C GLU A 36 -3.813 -0.961 8.563 1.00 0.00 C ATOM 569 O GLU A 36 -4.821 -1.265 7.951 1.00 0.00 O ATOM 570 CB GLU A 36 -2.710 -2.934 9.662 1.00 0.00 C ATOM 571 CG GLU A 36 -3.694 -4.026 9.240 1.00 0.00 C ATOM 572 CD GLU A 36 -5.118 -3.594 9.592 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.378 -3.381 10.765 1.00 0.00 O ATOM 574 OE2 GLU A 36 -5.925 -3.482 8.684 1.00 0.00 O ATOM 0 H GLU A 36 -0.842 -1.325 9.673 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.555 -2.358 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.735 -3.372 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.053 -2.456 10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.613 -4.209 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.452 -4.962 9.743 1.00 0.00 H new ATOM 581 N LYS A 37 -3.761 0.156 9.267 1.00 0.00 N ATOM 582 CA LYS A 37 -4.963 1.058 9.306 1.00 0.00 C ATOM 583 C LYS A 37 -4.912 2.099 8.184 1.00 0.00 C ATOM 584 O LYS A 37 -5.938 2.432 7.615 1.00 0.00 O ATOM 585 CB LYS A 37 -4.948 1.742 10.680 1.00 0.00 C ATOM 586 CG LYS A 37 -6.381 1.881 11.199 1.00 0.00 C ATOM 587 CD LYS A 37 -6.453 3.041 12.195 1.00 0.00 C ATOM 588 CE LYS A 37 -7.525 2.743 13.247 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.813 2.777 12.503 1.00 0.00 N ATOM 0 H LYS A 37 -2.955 0.474 9.805 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.879 0.487 9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.351 1.159 11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.481 2.724 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.064 2.058 10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.696 0.955 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.485 3.182 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.688 3.969 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.363 1.770 13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.511 3.484 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.599 2.888 13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.809 3.578 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.932 1.889 11.974 1.00 0.00 H new ATOM 603 N GLU A 38 -3.747 2.608 7.835 1.00 0.00 N ATOM 604 CA GLU A 38 -3.707 3.611 6.719 1.00 0.00 C ATOM 605 C GLU A 38 -3.866 2.881 5.379 1.00 0.00 C ATOM 606 O GLU A 38 -4.508 3.384 4.475 1.00 0.00 O ATOM 607 CB GLU A 38 -2.357 4.324 6.807 1.00 0.00 C ATOM 608 CG GLU A 38 -2.496 5.545 7.720 1.00 0.00 C ATOM 609 CD GLU A 38 -2.711 5.083 9.163 1.00 0.00 C ATOM 610 OE1 GLU A 38 -2.068 4.125 9.560 1.00 0.00 O ATOM 611 OE2 GLU A 38 -3.515 5.696 9.847 1.00 0.00 O ATOM 0 H GLU A 38 -2.849 2.380 8.261 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.515 4.339 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.598 3.646 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.028 4.632 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.601 6.164 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.335 6.161 7.396 1.00 0.00 H new ATOM 618 N LEU A 39 -3.317 1.685 5.241 1.00 0.00 N ATOM 619 CA LEU A 39 -3.489 0.932 3.946 1.00 0.00 C ATOM 620 C LEU A 39 -4.989 0.750 3.646 1.00 0.00 C ATOM 621 O LEU A 39 -5.397 0.782 2.500 1.00 0.00 O ATOM 622 CB LEU A 39 -2.817 -0.439 4.131 1.00 0.00 C ATOM 623 CG LEU A 39 -1.299 -0.284 4.022 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.626 -1.620 4.341 1.00 0.00 C ATOM 625 CD2 LEU A 39 -0.931 0.145 2.601 1.00 0.00 C ATOM 0 H LEU A 39 -2.768 1.207 5.955 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.040 1.474 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.081 -0.857 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.177 -1.137 3.375 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.959 0.472 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.456 -1.510 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.888 -1.927 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.965 -2.377 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.151 0.256 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.270 -0.611 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.410 1.097 2.373 1.00 0.00 H new ATOM 637 N LEU A 40 -5.821 0.568 4.663 1.00 0.00 N ATOM 638 CA LEU A 40 -7.296 0.399 4.393 1.00 0.00 C ATOM 639 C LEU A 40 -7.841 1.614 3.615 1.00 0.00 C ATOM 640 O LEU A 40 -8.719 1.471 2.786 1.00 0.00 O ATOM 641 CB LEU A 40 -7.990 0.298 5.761 1.00 0.00 C ATOM 642 CG LEU A 40 -9.453 -0.104 5.565 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.577 -1.627 5.632 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.307 0.527 6.667 1.00 0.00 C ATOM 0 H LEU A 40 -5.548 0.530 5.645 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.480 -0.491 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.481 -0.436 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.931 1.254 6.281 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.799 0.246 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.619 -1.914 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.969 -2.076 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.231 -1.978 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.350 0.241 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.962 0.178 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.219 1.612 6.619 1.00 0.00 H new ATOM 656 N ARG A 41 -7.332 2.807 3.871 1.00 0.00 N ATOM 657 CA ARG A 41 -7.846 4.014 3.125 1.00 0.00 C ATOM 658 C ARG A 41 -7.645 3.821 1.613 1.00 0.00 C ATOM 659 O ARG A 41 -8.524 4.127 0.828 1.00 0.00 O ATOM 660 CB ARG A 41 -7.035 5.224 3.613 1.00 0.00 C ATOM 661 CG ARG A 41 -7.726 5.846 4.829 1.00 0.00 C ATOM 662 CD ARG A 41 -7.491 4.965 6.058 1.00 0.00 C ATOM 663 NE ARG A 41 -8.067 5.734 7.197 1.00 0.00 N ATOM 664 CZ ARG A 41 -7.320 6.041 8.221 1.00 0.00 C ATOM 665 NH1 ARG A 41 -6.350 6.904 8.085 1.00 0.00 N ATOM 666 NH2 ARG A 41 -7.542 5.486 9.382 1.00 0.00 N ATOM 0 H ARG A 41 -6.596 2.995 4.552 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.911 4.161 3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.023 4.915 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.946 5.961 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.337 6.849 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.795 5.947 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.979 3.996 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.429 4.772 6.209 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.046 6.020 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.177 7.338 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.765 7.145 8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.300 4.812 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.957 5.727 10.182 1.00 0.00 H new ATOM 680 N VAL A 42 -6.502 3.310 1.193 1.00 0.00 N ATOM 681 CA VAL A 42 -6.280 3.102 -0.284 1.00 0.00 C ATOM 682 C VAL A 42 -7.347 2.137 -0.834 1.00 0.00 C ATOM 683 O VAL A 42 -7.854 2.330 -1.923 1.00 0.00 O ATOM 684 CB VAL A 42 -4.870 2.501 -0.438 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.582 2.218 -1.915 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.835 3.498 0.093 1.00 0.00 C ATOM 0 H VAL A 42 -5.727 3.033 1.796 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.360 4.036 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.814 1.570 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.583 1.793 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.317 1.512 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.640 3.147 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.835 3.077 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.900 4.427 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.032 3.701 1.146 1.00 0.00 H new ATOM 696 N GLY A 43 -7.702 1.108 -0.089 1.00 0.00 N ATOM 697 CA GLY A 43 -8.741 0.154 -0.575 1.00 0.00 C ATOM 698 C GLY A 43 -10.084 0.889 -0.675 1.00 0.00 C ATOM 699 O GLY A 43 -10.779 0.784 -1.668 1.00 0.00 O ATOM 0 H GLY A 43 -7.314 0.895 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.458 -0.248 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.824 -0.692 0.107 1.00 0.00 H new ATOM 703 N GLN A 44 -10.454 1.646 0.342 1.00 0.00 N ATOM 704 CA GLN A 44 -11.762 2.396 0.276 1.00 0.00 C ATOM 705 C GLN A 44 -11.740 3.369 -0.913 1.00 0.00 C ATOM 706 O GLN A 44 -12.726 3.522 -1.609 1.00 0.00 O ATOM 707 CB GLN A 44 -11.895 3.177 1.594 1.00 0.00 C ATOM 708 CG GLN A 44 -12.351 2.230 2.706 1.00 0.00 C ATOM 709 CD GLN A 44 -13.089 3.029 3.787 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.616 4.064 4.215 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.234 2.596 4.254 1.00 0.00 N ATOM 0 H GLN A 44 -9.918 1.776 1.200 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.602 1.715 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.940 3.631 1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.612 3.989 1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.006 1.460 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.491 1.720 3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.635 1.728 3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.725 3.127 4.974 1.00 0.00 H new ATOM 720 N ILE A 45 -10.620 4.025 -1.161 1.00 0.00 N ATOM 721 CA ILE A 45 -10.556 4.982 -2.327 1.00 0.00 C ATOM 722 C ILE A 45 -10.865 4.225 -3.633 1.00 0.00 C ATOM 723 O ILE A 45 -11.549 4.737 -4.493 1.00 0.00 O ATOM 724 CB ILE A 45 -9.117 5.550 -2.351 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.887 6.398 -1.097 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.907 6.432 -3.590 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.391 6.439 -0.771 1.00 0.00 C ATOM 0 H ILE A 45 -9.761 3.942 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.285 5.786 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.414 4.718 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.263 7.409 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.441 5.980 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.889 6.823 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.068 5.839 -4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.614 7.261 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.230 7.043 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.029 5.426 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.848 6.877 -1.608 1.00 0.00 H new ATOM 739 N LEU A 46 -10.374 3.013 -3.786 1.00 0.00 N ATOM 740 CA LEU A 46 -10.666 2.252 -5.054 1.00 0.00 C ATOM 741 C LEU A 46 -12.146 1.843 -5.104 1.00 0.00 C ATOM 742 O LEU A 46 -12.764 1.881 -6.152 1.00 0.00 O ATOM 743 CB LEU A 46 -9.778 0.994 -5.040 1.00 0.00 C ATOM 744 CG LEU A 46 -9.237 0.715 -6.445 1.00 0.00 C ATOM 745 CD1 LEU A 46 -10.395 0.556 -7.440 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.328 1.873 -6.887 1.00 0.00 C ATOM 0 H LEU A 46 -9.795 2.524 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.460 2.870 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.950 1.132 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.353 0.138 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.662 -0.211 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.995 0.358 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.028 -0.276 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.985 1.473 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.944 1.673 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.900 2.801 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.495 1.968 -6.191 1.00 0.00 H new ATOM 758 N LYS A 47 -12.724 1.462 -3.984 1.00 0.00 N ATOM 759 CA LYS A 47 -14.174 1.065 -3.993 1.00 0.00 C ATOM 760 C LYS A 47 -15.058 2.317 -4.075 1.00 0.00 C ATOM 761 O LYS A 47 -16.134 2.276 -4.641 1.00 0.00 O ATOM 762 CB LYS A 47 -14.438 0.315 -2.675 1.00 0.00 C ATOM 763 CG LYS A 47 -15.362 -0.875 -2.940 1.00 0.00 C ATOM 764 CD LYS A 47 -14.523 -2.083 -3.359 1.00 0.00 C ATOM 765 CE LYS A 47 -14.174 -2.915 -2.123 1.00 0.00 C ATOM 766 NZ LYS A 47 -13.523 -4.144 -2.658 1.00 0.00 N ATOM 0 H LYS A 47 -12.262 1.409 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.405 0.435 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.497 -0.030 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.893 0.987 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.937 -1.110 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.079 -0.626 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.074 -2.691 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.612 -1.751 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.504 -2.371 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.066 -3.160 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.254 -4.766 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.187 -4.644 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.673 -3.880 -3.196 1.00 0.00 H new ATOM 780 N GLU A 48 -14.626 3.435 -3.511 1.00 0.00 N ATOM 781 CA GLU A 48 -15.477 4.675 -3.572 1.00 0.00 C ATOM 782 C GLU A 48 -15.860 4.997 -5.032 1.00 0.00 C ATOM 783 O GLU A 48 -15.044 4.851 -5.919 1.00 0.00 O ATOM 784 CB GLU A 48 -14.635 5.822 -2.987 1.00 0.00 C ATOM 785 CG GLU A 48 -14.785 5.841 -1.465 1.00 0.00 C ATOM 786 CD GLU A 48 -14.017 7.033 -0.892 1.00 0.00 C ATOM 787 OE1 GLU A 48 -14.490 8.146 -1.046 1.00 0.00 O ATOM 788 OE2 GLU A 48 -12.968 6.812 -0.310 1.00 0.00 O ATOM 0 H GLU A 48 -13.737 3.538 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.401 4.536 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.587 5.693 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.958 6.775 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.838 5.909 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.406 4.912 -1.040 1.00 0.00 H new ATOM 795 N PRO A 49 -17.090 5.421 -5.244 1.00 0.00 N ATOM 796 CA PRO A 49 -17.541 5.749 -6.620 1.00 0.00 C ATOM 797 C PRO A 49 -16.914 7.072 -7.087 1.00 0.00 C ATOM 798 O PRO A 49 -16.484 7.189 -8.220 1.00 0.00 O ATOM 799 CB PRO A 49 -19.054 5.887 -6.483 1.00 0.00 C ATOM 800 CG PRO A 49 -19.284 6.244 -5.050 1.00 0.00 C ATOM 801 CD PRO A 49 -18.159 5.634 -4.253 1.00 0.00 C ATOM 0 HA PRO A 49 -17.253 4.997 -7.354 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.441 6.658 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.560 4.957 -6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.304 7.326 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.247 5.865 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.833 6.297 -3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.463 4.697 -3.787 1.00 0.00 H new ATOM 809 N LYS A 50 -16.849 8.071 -6.227 1.00 0.00 N ATOM 810 CA LYS A 50 -16.235 9.385 -6.649 1.00 0.00 C ATOM 811 C LYS A 50 -14.796 9.164 -7.154 1.00 0.00 C ATOM 812 O LYS A 50 -14.357 9.824 -8.078 1.00 0.00 O ATOM 813 CB LYS A 50 -16.220 10.286 -5.404 1.00 0.00 C ATOM 814 CG LYS A 50 -15.957 11.733 -5.825 1.00 0.00 C ATOM 815 CD LYS A 50 -15.804 12.609 -4.579 1.00 0.00 C ATOM 816 CE LYS A 50 -15.046 13.887 -4.944 1.00 0.00 C ATOM 817 NZ LYS A 50 -15.075 14.717 -3.708 1.00 0.00 N ATOM 0 H LYS A 50 -17.188 8.037 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.806 9.839 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.173 10.216 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.449 9.952 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.054 11.787 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.779 12.099 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.785 12.858 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.267 12.064 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.023 13.666 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.521 14.404 -5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.574 15.612 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.062 14.917 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.610 14.202 -2.933 1.00 0.00 H new ATOM 831 N MET A 51 -14.061 8.242 -6.563 1.00 0.00 N ATOM 832 CA MET A 51 -12.652 7.993 -7.036 1.00 0.00 C ATOM 833 C MET A 51 -12.637 7.097 -8.290 1.00 0.00 C ATOM 834 O MET A 51 -11.725 7.183 -9.090 1.00 0.00 O ATOM 835 CB MET A 51 -11.925 7.281 -5.887 1.00 0.00 C ATOM 836 CG MET A 51 -11.942 8.143 -4.617 1.00 0.00 C ATOM 837 SD MET A 51 -11.143 9.750 -4.914 1.00 0.00 S ATOM 838 CE MET A 51 -9.598 9.137 -5.633 1.00 0.00 C ATOM 0 H MET A 51 -14.370 7.659 -5.785 1.00 0.00 H new ATOM 0 HA MET A 51 -12.169 8.933 -7.302 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.402 6.321 -5.688 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.895 7.071 -6.176 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.971 8.298 -4.292 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.428 7.620 -3.811 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.769 9.763 -5.303 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.428 8.110 -5.309 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.665 9.168 -6.720 1.00 0.00 H new ATOM 848 N ALA A 52 -13.626 6.234 -8.475 1.00 0.00 N ATOM 849 CA ALA A 52 -13.632 5.340 -9.698 1.00 0.00 C ATOM 850 C ALA A 52 -13.421 6.175 -10.974 1.00 0.00 C ATOM 851 O ALA A 52 -12.756 5.742 -11.897 1.00 0.00 O ATOM 852 CB ALA A 52 -15.009 4.658 -9.738 1.00 0.00 C ATOM 0 H ALA A 52 -14.417 6.111 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.828 4.606 -9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.064 4.000 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.152 4.073 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.789 5.416 -9.808 1.00 0.00 H new ATOM 858 N ALA A 53 -13.970 7.372 -11.028 1.00 0.00 N ATOM 859 CA ALA A 53 -13.772 8.223 -12.257 1.00 0.00 C ATOM 860 C ALA A 53 -12.276 8.535 -12.454 1.00 0.00 C ATOM 861 O ALA A 53 -11.814 8.638 -13.574 1.00 0.00 O ATOM 862 CB ALA A 53 -14.555 9.525 -12.024 1.00 0.00 C ATOM 0 H ALA A 53 -14.536 7.791 -10.290 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.124 7.706 -13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.442 10.177 -12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.610 9.294 -11.879 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.168 10.028 -11.138 1.00 0.00 H new ATOM 868 N SER A 54 -11.515 8.692 -11.385 1.00 0.00 N ATOM 869 CA SER A 54 -10.051 9.004 -11.546 1.00 0.00 C ATOM 870 C SER A 54 -9.196 7.735 -11.393 1.00 0.00 C ATOM 871 O SER A 54 -8.222 7.559 -12.101 1.00 0.00 O ATOM 872 CB SER A 54 -9.712 10.006 -10.435 1.00 0.00 C ATOM 873 OG SER A 54 -10.577 11.129 -10.535 1.00 0.00 O ATOM 0 H SER A 54 -11.841 8.618 -10.421 1.00 0.00 H new ATOM 0 HA SER A 54 -9.843 9.408 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.821 9.534 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.673 10.324 -10.521 1.00 0.00 H new ATOM 0 HG SER A 54 -10.364 11.770 -9.825 1.00 0.00 H new ATOM 879 N LEU A 55 -9.538 6.848 -10.477 1.00 0.00 N ATOM 880 CA LEU A 55 -8.710 5.596 -10.304 1.00 0.00 C ATOM 881 C LEU A 55 -8.631 4.833 -11.632 1.00 0.00 C ATOM 882 O LEU A 55 -7.582 4.346 -12.011 1.00 0.00 O ATOM 883 CB LEU A 55 -9.424 4.729 -9.249 1.00 0.00 C ATOM 884 CG LEU A 55 -8.791 4.936 -7.868 1.00 0.00 C ATOM 885 CD1 LEU A 55 -7.321 4.509 -7.898 1.00 0.00 C ATOM 886 CD2 LEU A 55 -8.885 6.412 -7.463 1.00 0.00 C ATOM 0 H LEU A 55 -10.339 6.932 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.695 5.841 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.482 4.987 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.362 3.678 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.329 4.328 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.878 4.659 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.254 3.455 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.783 5.108 -8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.433 6.549 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.357 7.024 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.932 6.713 -7.426 1.00 0.00 H new ATOM 898 N LEU A 56 -9.734 4.724 -12.341 1.00 0.00 N ATOM 899 CA LEU A 56 -9.713 3.989 -13.643 1.00 0.00 C ATOM 900 C LEU A 56 -9.856 4.966 -14.819 1.00 0.00 C ATOM 901 O LEU A 56 -10.498 4.654 -15.804 1.00 0.00 O ATOM 902 CB LEU A 56 -10.913 3.033 -13.592 1.00 0.00 C ATOM 903 CG LEU A 56 -10.913 2.122 -14.836 1.00 0.00 C ATOM 904 CD1 LEU A 56 -10.991 0.656 -14.400 1.00 0.00 C ATOM 905 CD2 LEU A 56 -12.122 2.454 -15.729 1.00 0.00 C ATOM 0 H LEU A 56 -10.639 5.110 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.774 3.455 -13.789 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.868 2.427 -12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.841 3.603 -13.548 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.994 2.288 -15.398 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.991 0.014 -15.281 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.130 0.416 -13.776 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.907 0.493 -13.833 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.115 1.807 -16.606 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.043 2.296 -15.168 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.065 3.495 -16.046 1.00 0.00 H new ATOM 917 N ASN A 57 -9.262 6.141 -14.743 1.00 0.00 N ATOM 918 CA ASN A 57 -9.380 7.097 -15.882 1.00 0.00 C ATOM 919 C ASN A 57 -8.139 6.996 -16.780 1.00 0.00 C ATOM 920 O ASN A 57 -7.047 7.302 -16.342 1.00 0.00 O ATOM 921 CB ASN A 57 -9.468 8.496 -15.251 1.00 0.00 C ATOM 922 CG ASN A 57 -10.577 9.309 -15.936 1.00 0.00 C ATOM 923 OD1 ASN A 57 -11.009 8.971 -17.020 1.00 0.00 O ATOM 924 ND2 ASN A 57 -11.064 10.375 -15.347 1.00 0.00 N ATOM 0 H ASN A 57 -8.710 6.469 -13.950 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.252 6.883 -16.501 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.673 8.411 -14.184 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.512 9.011 -15.352 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.802 10.915 -15.799 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.705 10.664 -14.437 1.00 0.00 H new ATOM 931 N PRO A 58 -8.335 6.610 -18.028 1.00 0.00 N ATOM 932 CA PRO A 58 -7.190 6.534 -18.971 1.00 0.00 C ATOM 933 C PRO A 58 -6.702 7.954 -19.354 1.00 0.00 C ATOM 934 O PRO A 58 -5.665 8.103 -19.973 1.00 0.00 O ATOM 935 CB PRO A 58 -7.769 5.813 -20.187 1.00 0.00 C ATOM 936 CG PRO A 58 -9.238 6.075 -20.130 1.00 0.00 C ATOM 937 CD PRO A 58 -9.600 6.216 -18.675 1.00 0.00 C ATOM 0 HA PRO A 58 -6.326 6.021 -18.549 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.336 6.192 -21.113 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.557 4.744 -20.150 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.490 6.981 -20.680 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.794 5.258 -20.589 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.375 6.969 -18.528 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.983 5.281 -18.267 1.00 0.00 H new ATOM 945 N TYR A 59 -7.435 8.998 -18.995 1.00 0.00 N ATOM 946 CA TYR A 59 -7.001 10.390 -19.343 1.00 0.00 C ATOM 947 C TYR A 59 -6.057 10.992 -18.277 1.00 0.00 C ATOM 948 O TYR A 59 -5.715 12.157 -18.362 1.00 0.00 O ATOM 949 CB TYR A 59 -8.307 11.193 -19.396 1.00 0.00 C ATOM 950 CG TYR A 59 -9.152 10.678 -20.538 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.009 11.226 -21.818 1.00 0.00 C ATOM 952 CD2 TYR A 59 -10.069 9.638 -20.320 1.00 0.00 C ATOM 953 CE1 TYR A 59 -9.783 10.739 -22.878 1.00 0.00 C ATOM 954 CE2 TYR A 59 -10.838 9.151 -21.380 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.697 9.702 -22.659 1.00 0.00 C ATOM 956 OH TYR A 59 -11.457 9.220 -23.706 1.00 0.00 O ATOM 0 H TYR A 59 -8.312 8.938 -18.477 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.442 10.407 -20.279 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.847 11.097 -18.454 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.093 12.253 -19.534 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.302 12.024 -21.988 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.180 9.214 -19.333 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.675 11.164 -23.865 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.542 8.349 -21.212 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.039 8.501 -23.384 1.00 0.00 H new ATOM 966 N VAL A 60 -5.629 10.237 -17.276 1.00 0.00 N ATOM 967 CA VAL A 60 -4.714 10.829 -16.244 1.00 0.00 C ATOM 968 C VAL A 60 -3.267 10.308 -16.416 1.00 0.00 C ATOM 969 O VAL A 60 -2.501 10.297 -15.472 1.00 0.00 O ATOM 970 CB VAL A 60 -5.287 10.393 -14.885 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.476 11.028 -13.754 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.747 10.846 -14.766 1.00 0.00 C ATOM 0 H VAL A 60 -5.872 9.256 -17.136 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.664 11.914 -16.335 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.233 9.307 -14.812 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.886 10.716 -12.793 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.437 10.707 -13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.527 12.114 -13.835 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.147 10.534 -13.801 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.799 11.932 -14.847 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.334 10.394 -15.566 1.00 0.00 H new ATOM 982 N LYS A 61 -2.873 9.889 -17.611 1.00 0.00 N ATOM 983 CA LYS A 61 -1.471 9.388 -17.820 1.00 0.00 C ATOM 984 C LYS A 61 -1.082 8.348 -16.749 1.00 0.00 C ATOM 985 O LYS A 61 -1.909 7.929 -15.961 1.00 0.00 O ATOM 986 CB LYS A 61 -0.587 10.634 -17.703 1.00 0.00 C ATOM 987 CG LYS A 61 -0.232 11.147 -19.101 1.00 0.00 C ATOM 988 CD LYS A 61 0.804 12.268 -18.985 1.00 0.00 C ATOM 989 CE LYS A 61 1.025 12.903 -20.361 1.00 0.00 C ATOM 990 NZ LYS A 61 -0.095 13.871 -20.521 1.00 0.00 N ATOM 0 H LYS A 61 -3.464 9.875 -18.443 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.362 8.888 -18.782 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.108 11.410 -17.142 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.322 10.396 -17.150 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.163 10.333 -19.709 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.127 11.515 -19.603 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.462 13.022 -18.275 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.744 11.871 -18.601 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.991 13.405 -20.414 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.013 12.151 -21.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.456 13.826 -21.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.859 13.631 -19.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.247 14.833 -20.323 1.00 0.00 H new ATOM 1004 N ARG A 62 0.170 7.937 -16.709 1.00 0.00 N ATOM 1005 CA ARG A 62 0.598 6.937 -15.683 1.00 0.00 C ATOM 1006 C ARG A 62 1.558 7.597 -14.681 1.00 0.00 C ATOM 1007 O ARG A 62 1.313 7.591 -13.489 1.00 0.00 O ATOM 1008 CB ARG A 62 1.313 5.832 -16.463 1.00 0.00 C ATOM 1009 CG ARG A 62 1.210 4.513 -15.693 1.00 0.00 C ATOM 1010 CD ARG A 62 2.357 4.415 -14.684 1.00 0.00 C ATOM 1011 NE ARG A 62 3.415 3.630 -15.379 1.00 0.00 N ATOM 1012 CZ ARG A 62 4.616 4.124 -15.508 1.00 0.00 C ATOM 1013 NH1 ARG A 62 4.876 4.963 -16.472 1.00 0.00 N ATOM 1014 NH2 ARG A 62 5.556 3.780 -14.671 1.00 0.00 N ATOM 0 H ARG A 62 0.906 8.252 -17.341 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.245 6.544 -15.114 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.867 5.724 -17.452 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.360 6.097 -16.613 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.252 4.456 -15.176 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.249 3.672 -16.386 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.720 5.403 -14.402 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.036 3.920 -13.768 1.00 0.00 H new ATOM 0 HE ARG A 62 3.201 2.706 -15.754 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.141 5.233 -17.125 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.815 5.349 -16.573 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.352 3.125 -13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.495 4.166 -14.772 1.00 0.00 H new ATOM 1028 N SER A 63 2.648 8.174 -15.151 1.00 0.00 N ATOM 1029 CA SER A 63 3.610 8.838 -14.198 1.00 0.00 C ATOM 1030 C SER A 63 2.899 9.977 -13.449 1.00 0.00 C ATOM 1031 O SER A 63 3.101 10.160 -12.263 1.00 0.00 O ATOM 1032 CB SER A 63 4.760 9.401 -15.046 1.00 0.00 C ATOM 1033 OG SER A 63 5.749 8.396 -15.221 1.00 0.00 O ATOM 0 H SER A 63 2.910 8.214 -16.136 1.00 0.00 H new ATOM 0 HA SER A 63 3.983 8.130 -13.458 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.385 9.731 -16.015 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.194 10.274 -14.558 1.00 0.00 H new ATOM 0 HG SER A 63 6.484 8.751 -15.763 1.00 0.00 H new ATOM 1039 N VAL A 64 2.062 10.742 -14.126 1.00 0.00 N ATOM 1040 CA VAL A 64 1.342 11.865 -13.419 1.00 0.00 C ATOM 1041 C VAL A 64 0.476 11.291 -12.281 1.00 0.00 C ATOM 1042 O VAL A 64 0.384 11.877 -11.218 1.00 0.00 O ATOM 1043 CB VAL A 64 0.456 12.561 -14.470 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -0.315 13.713 -13.818 1.00 0.00 C ATOM 1045 CG2 VAL A 64 1.336 13.117 -15.591 1.00 0.00 C ATOM 0 H VAL A 64 1.849 10.641 -15.118 1.00 0.00 H new ATOM 0 HA VAL A 64 2.045 12.573 -12.980 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.249 11.837 -14.879 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.940 14.202 -14.566 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.944 13.323 -13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.390 14.435 -13.406 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.710 13.609 -16.335 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.042 13.837 -15.177 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.885 12.301 -16.061 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.156 10.149 -12.487 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.008 9.558 -11.391 1.00 0.00 C ATOM 1057 C LYS A 65 -0.162 9.333 -10.126 1.00 0.00 C ATOM 1058 O LYS A 65 -0.630 9.549 -9.023 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.538 8.213 -11.916 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.744 7.778 -11.082 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.607 6.812 -11.897 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.426 7.600 -12.923 1.00 0.00 C ATOM 1063 NZ LYS A 65 -4.803 6.601 -13.961 1.00 0.00 N ATOM 0 H LYS A 65 -0.120 9.609 -13.351 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.828 10.227 -11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.822 8.306 -12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.755 7.457 -11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.409 7.297 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.331 8.649 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.975 6.082 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.271 6.255 -11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.309 8.046 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.843 8.415 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.515 7.013 -14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.960 6.336 -14.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.197 5.755 -13.502 1.00 0.00 H new ATOM 1077 N VAL A 66 1.079 8.906 -10.270 1.00 0.00 N ATOM 1078 CA VAL A 66 1.932 8.683 -9.045 1.00 0.00 C ATOM 1079 C VAL A 66 2.120 10.015 -8.304 1.00 0.00 C ATOM 1080 O VAL A 66 2.037 10.067 -7.090 1.00 0.00 O ATOM 1081 CB VAL A 66 3.292 8.147 -9.535 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.205 7.883 -8.335 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.079 6.840 -10.300 1.00 0.00 C ATOM 0 H VAL A 66 1.531 8.706 -11.162 1.00 0.00 H new ATOM 0 HA VAL A 66 1.466 7.975 -8.359 1.00 0.00 H new ATOM 0 HB VAL A 66 3.754 8.886 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.165 7.504 -8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.360 8.811 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.741 7.146 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.040 6.461 -10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.615 6.105 -9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.430 7.022 -11.157 1.00 0.00 H new ATOM 1093 N LYS A 67 2.365 11.097 -9.019 1.00 0.00 N ATOM 1094 CA LYS A 67 2.546 12.424 -8.325 1.00 0.00 C ATOM 1095 C LYS A 67 1.281 12.775 -7.523 1.00 0.00 C ATOM 1096 O LYS A 67 1.366 13.302 -6.431 1.00 0.00 O ATOM 1097 CB LYS A 67 2.781 13.472 -9.425 1.00 0.00 C ATOM 1098 CG LYS A 67 3.233 14.788 -8.790 1.00 0.00 C ATOM 1099 CD LYS A 67 3.622 15.778 -9.888 1.00 0.00 C ATOM 1100 CE LYS A 67 4.300 16.998 -9.261 1.00 0.00 C ATOM 1101 NZ LYS A 67 3.932 18.139 -10.145 1.00 0.00 N ATOM 0 H LYS A 67 2.446 11.121 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 67 3.385 12.392 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.536 13.116 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.865 13.627 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.432 15.203 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.081 14.612 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.295 15.301 -10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.737 16.087 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.953 17.161 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.381 16.868 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.361 19.013 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.281 17.959 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.897 18.243 -10.165 1.00 0.00 H new ATOM 1115 N SER A 68 0.106 12.482 -8.051 1.00 0.00 N ATOM 1116 CA SER A 68 -1.157 12.806 -7.290 1.00 0.00 C ATOM 1117 C SER A 68 -1.146 12.113 -5.917 1.00 0.00 C ATOM 1118 O SER A 68 -1.618 12.667 -4.942 1.00 0.00 O ATOM 1119 CB SER A 68 -2.331 12.285 -8.132 1.00 0.00 C ATOM 1120 OG SER A 68 -3.494 13.046 -7.838 1.00 0.00 O ATOM 0 H SER A 68 -0.033 12.040 -8.960 1.00 0.00 H new ATOM 0 HA SER A 68 -1.242 13.879 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.093 12.358 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.508 11.231 -7.917 1.00 0.00 H new ATOM 0 HG SER A 68 -4.245 12.717 -8.375 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.608 10.908 -5.823 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.582 10.209 -4.487 1.00 0.00 C ATOM 1128 C LEU A 69 0.197 11.058 -3.471 1.00 0.00 C ATOM 1129 O LEU A 69 -0.240 11.242 -2.350 1.00 0.00 O ATOM 1130 CB LEU A 69 0.125 8.860 -4.700 1.00 0.00 C ATOM 1131 CG LEU A 69 -0.894 7.809 -5.149 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -0.167 6.500 -5.465 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -1.914 7.570 -4.030 1.00 0.00 C ATOM 0 H LEU A 69 -0.194 10.389 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.591 10.061 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.909 8.964 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.608 8.541 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.412 8.163 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.890 5.750 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.557 6.669 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.351 6.147 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.638 6.822 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.398 7.216 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.432 8.502 -3.804 1.00 0.00 H new ATOM 1145 N SER A 70 1.344 11.587 -3.853 1.00 0.00 N ATOM 1146 CA SER A 70 2.130 12.436 -2.886 1.00 0.00 C ATOM 1147 C SER A 70 1.288 13.651 -2.470 1.00 0.00 C ATOM 1148 O SER A 70 1.229 13.997 -1.305 1.00 0.00 O ATOM 1149 CB SER A 70 3.399 12.896 -3.622 1.00 0.00 C ATOM 1150 OG SER A 70 4.402 13.221 -2.669 1.00 0.00 O ATOM 0 H SER A 70 1.764 11.471 -4.775 1.00 0.00 H new ATOM 0 HA SER A 70 2.389 11.877 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.754 12.108 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.178 13.763 -4.245 1.00 0.00 H new ATOM 0 HG SER A 70 5.213 13.513 -3.135 1.00 0.00 H new ATOM 1156 N ASP A 71 0.618 14.292 -3.408 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.237 15.477 -3.034 1.00 0.00 C ATOM 1158 C ASP A 71 -1.458 15.026 -2.207 1.00 0.00 C ATOM 1159 O ASP A 71 -2.009 15.807 -1.454 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.693 16.132 -4.348 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.810 17.643 -4.151 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.634 18.055 -3.350 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -0.074 18.365 -4.803 1.00 0.00 O ATOM 0 H ASP A 71 0.624 14.052 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 71 0.326 16.181 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.020 15.912 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.653 15.720 -4.658 1.00 0.00 H new ATOM 1168 N MET A 72 -1.870 13.771 -2.303 1.00 0.00 N ATOM 1169 CA MET A 72 -3.029 13.306 -1.472 1.00 0.00 C ATOM 1170 C MET A 72 -2.462 12.833 -0.133 1.00 0.00 C ATOM 1171 O MET A 72 -2.959 13.183 0.920 1.00 0.00 O ATOM 1172 CB MET A 72 -3.682 12.143 -2.235 1.00 0.00 C ATOM 1173 CG MET A 72 -5.073 11.871 -1.659 1.00 0.00 C ATOM 1174 SD MET A 72 -5.652 10.251 -2.222 1.00 0.00 S ATOM 1175 CE MET A 72 -4.763 9.257 -0.999 1.00 0.00 C ATOM 0 H MET A 72 -1.457 13.065 -2.912 1.00 0.00 H new ATOM 0 HA MET A 72 -3.769 14.085 -1.292 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.757 12.386 -3.295 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.063 11.249 -2.156 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.039 11.899 -0.570 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.768 12.648 -1.976 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.295 8.405 -1.493 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.995 9.867 -0.523 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.462 8.899 -0.243 1.00 0.00 H new ATOM 1185 N THR A 73 -1.387 12.068 -0.171 1.00 0.00 N ATOM 1186 CA THR A 73 -0.746 11.609 1.107 1.00 0.00 C ATOM 1187 C THR A 73 -0.342 12.854 1.938 1.00 0.00 C ATOM 1188 O THR A 73 -0.467 12.854 3.148 1.00 0.00 O ATOM 1189 CB THR A 73 0.483 10.765 0.666 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.060 9.438 0.390 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.560 10.728 1.748 1.00 0.00 C ATOM 0 H THR A 73 -0.932 11.746 -1.025 1.00 0.00 H new ATOM 0 HA THR A 73 -1.404 11.012 1.738 1.00 0.00 H new ATOM 0 HB THR A 73 0.910 11.229 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.830 8.901 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.402 10.129 1.403 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.899 11.742 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.149 10.286 2.656 1.00 0.00 H new ATOM 1199 N ALA A 74 0.126 13.915 1.298 1.00 0.00 N ATOM 1200 CA ALA A 74 0.511 15.145 2.084 1.00 0.00 C ATOM 1201 C ALA A 74 -0.716 15.678 2.844 1.00 0.00 C ATOM 1202 O ALA A 74 -0.609 16.095 3.982 1.00 0.00 O ATOM 1203 CB ALA A 74 0.998 16.190 1.068 1.00 0.00 C ATOM 0 H ALA A 74 0.255 13.981 0.288 1.00 0.00 H new ATOM 0 HA ALA A 74 1.290 14.921 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.288 17.100 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.856 15.796 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.196 16.416 0.366 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.885 15.655 2.232 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.114 16.150 2.946 1.00 0.00 C ATOM 1211 C LYS A 75 -3.723 15.020 3.798 1.00 0.00 C ATOM 1212 O LYS A 75 -4.262 15.270 4.859 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.103 16.590 1.855 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.160 17.512 2.466 1.00 0.00 C ATOM 1215 CD LYS A 75 -5.584 18.557 1.432 1.00 0.00 C ATOM 1216 CE LYS A 75 -6.991 19.061 1.761 1.00 0.00 C ATOM 1217 NZ LYS A 75 -7.904 18.214 0.946 1.00 0.00 N ATOM 0 H LYS A 75 -2.039 15.319 1.281 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.878 16.975 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.572 17.107 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.580 15.718 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.024 16.930 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.760 18.004 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.880 19.389 1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.567 18.123 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.207 18.963 2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.101 20.116 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.889 18.500 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.680 18.333 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.782 17.216 1.212 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.637 13.777 3.352 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.215 12.648 4.172 1.00 0.00 C ATOM 1233 C GLU A 76 -3.403 12.407 5.464 1.00 0.00 C ATOM 1234 O GLU A 76 -3.859 11.703 6.346 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.171 11.394 3.284 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.076 10.315 3.883 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.527 10.582 3.478 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.811 10.520 2.294 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.329 10.843 4.360 1.00 0.00 O ATOM 0 H GLU A 76 -3.200 13.500 2.473 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.232 12.891 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.498 11.639 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.148 11.025 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.765 9.330 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.985 10.311 4.969 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.205 12.965 5.601 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.397 12.738 6.843 1.00 0.00 C ATOM 1248 C LYS A 77 -1.156 11.236 7.042 1.00 0.00 C ATOM 1249 O LYS A 77 -1.342 10.713 8.124 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.215 13.318 8.007 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.719 14.731 8.326 1.00 0.00 C ATOM 1252 CD LYS A 77 -1.996 15.048 9.796 1.00 0.00 C ATOM 1253 CE LYS A 77 -3.392 15.660 9.934 1.00 0.00 C ATOM 1254 NZ LYS A 77 -3.678 15.640 11.395 1.00 0.00 N ATOM 0 H LYS A 77 -1.763 13.564 4.903 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.421 13.219 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.273 13.343 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.119 12.680 8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.651 14.808 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.220 15.457 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.925 14.140 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.245 15.740 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.418 16.676 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.132 15.084 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.620 16.045 11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.653 14.659 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.961 16.202 11.897 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.744 10.534 6.001 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.491 9.051 6.150 1.00 0.00 C ATOM 1270 C PHE A 78 0.530 8.794 7.271 1.00 0.00 C ATOM 1271 O PHE A 78 0.912 9.704 7.984 1.00 0.00 O ATOM 1272 CB PHE A 78 0.045 8.541 4.793 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.080 7.857 4.045 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.783 6.813 4.656 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.430 8.274 2.754 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.836 6.183 3.980 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.483 7.645 2.077 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.187 6.599 2.691 1.00 0.00 C ATOM 0 H PHE A 78 -0.574 10.914 5.070 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.407 8.525 6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.437 9.372 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.870 7.846 4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.513 6.492 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.888 9.080 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.376 5.377 4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.753 7.966 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.999 6.115 2.169 1.00 0.00 H new ATOM 1288 N SER A 79 0.974 7.567 7.441 1.00 0.00 N ATOM 1289 CA SER A 79 1.955 7.273 8.520 1.00 0.00 C ATOM 1290 C SER A 79 3.341 7.101 7.903 1.00 0.00 C ATOM 1291 O SER A 79 3.499 7.296 6.714 1.00 0.00 O ATOM 1292 CB SER A 79 1.477 5.967 9.172 1.00 0.00 C ATOM 1293 OG SER A 79 0.121 5.724 8.828 1.00 0.00 O ATOM 0 H SER A 79 0.696 6.764 6.877 1.00 0.00 H new ATOM 0 HA SER A 79 2.021 8.073 9.257 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.100 5.136 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.581 6.032 10.255 1.00 0.00 H new ATOM 0 HG SER A 79 -0.082 4.773 8.949 1.00 0.00 H new ATOM 1299 N PRO A 80 4.314 6.736 8.710 1.00 0.00 N ATOM 1300 CA PRO A 80 5.675 6.547 8.169 1.00 0.00 C ATOM 1301 C PRO A 80 5.768 5.283 7.292 1.00 0.00 C ATOM 1302 O PRO A 80 6.737 5.113 6.573 1.00 0.00 O ATOM 1303 CB PRO A 80 6.546 6.434 9.408 1.00 0.00 C ATOM 1304 CG PRO A 80 5.637 5.965 10.493 1.00 0.00 C ATOM 1305 CD PRO A 80 4.258 6.468 10.163 1.00 0.00 C ATOM 0 HA PRO A 80 5.982 7.364 7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.364 5.731 9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.996 7.394 9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.645 4.877 10.559 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.964 6.345 11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.495 5.728 10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.016 7.369 10.726 1.00 0.00 H new ATOM 1313 N LEU A 81 4.779 4.403 7.310 1.00 0.00 N ATOM 1314 CA LEU A 81 4.851 3.196 6.442 1.00 0.00 C ATOM 1315 C LEU A 81 3.736 3.228 5.392 1.00 0.00 C ATOM 1316 O LEU A 81 3.338 2.190 4.893 1.00 0.00 O ATOM 1317 CB LEU A 81 4.643 2.008 7.378 1.00 0.00 C ATOM 1318 CG LEU A 81 6.008 1.468 7.832 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.965 1.148 9.325 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.345 0.193 7.053 1.00 0.00 C ATOM 0 H LEU A 81 3.940 4.478 7.885 1.00 0.00 H new ATOM 0 HA LEU A 81 5.801 3.140 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.054 2.312 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.081 1.225 6.869 1.00 0.00 H new ATOM 0 HG LEU A 81 6.770 2.224 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.935 0.765 9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.731 2.054 9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.199 0.396 9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.314 -0.187 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.579 -0.560 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.382 0.417 5.987 1.00 0.00 H new ATOM 1332 N THR A 82 3.214 4.392 5.046 1.00 0.00 N ATOM 1333 CA THR A 82 2.126 4.424 4.035 1.00 0.00 C ATOM 1334 C THR A 82 2.367 5.488 2.945 1.00 0.00 C ATOM 1335 O THR A 82 1.452 5.848 2.229 1.00 0.00 O ATOM 1336 CB THR A 82 0.849 4.701 4.836 1.00 0.00 C ATOM 1337 OG1 THR A 82 1.021 4.220 6.164 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.318 3.958 4.174 1.00 0.00 C ATOM 0 H THR A 82 3.496 5.298 5.419 1.00 0.00 H new ATOM 0 HA THR A 82 2.065 3.484 3.486 1.00 0.00 H new ATOM 0 HB THR A 82 0.643 5.771 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.575 4.826 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.234 4.146 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.440 4.311 3.150 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.111 2.888 4.167 1.00 0.00 H new ATOM 1346 N SER A 83 3.594 5.953 2.763 1.00 0.00 N ATOM 1347 CA SER A 83 3.862 6.930 1.666 1.00 0.00 C ATOM 1348 C SER A 83 4.977 6.360 0.768 1.00 0.00 C ATOM 1349 O SER A 83 5.813 7.075 0.252 1.00 0.00 O ATOM 1350 CB SER A 83 4.297 8.224 2.351 1.00 0.00 C ATOM 1351 OG SER A 83 5.634 8.085 2.814 1.00 0.00 O ATOM 0 H SER A 83 4.405 5.695 3.325 1.00 0.00 H new ATOM 0 HA SER A 83 2.992 7.116 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.226 9.059 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.633 8.448 3.186 1.00 0.00 H new ATOM 0 HG SER A 83 5.916 8.915 3.253 1.00 0.00 H new ATOM 1357 N ASN A 84 4.957 5.063 0.571 1.00 0.00 N ATOM 1358 CA ASN A 84 5.959 4.375 -0.302 1.00 0.00 C ATOM 1359 C ASN A 84 5.199 3.245 -0.995 1.00 0.00 C ATOM 1360 O ASN A 84 5.020 3.250 -2.199 1.00 0.00 O ATOM 1361 CB ASN A 84 7.029 3.827 0.644 1.00 0.00 C ATOM 1362 CG ASN A 84 8.254 4.750 0.624 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.945 4.830 -0.371 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.558 5.457 1.686 1.00 0.00 N ATOM 0 H ASN A 84 4.269 4.437 0.991 1.00 0.00 H new ATOM 0 HA ASN A 84 6.427 5.014 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.632 3.755 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.315 2.820 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.372 6.071 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.980 5.393 2.524 1.00 0.00 H new ATOM 1371 N LEU A 85 4.660 2.319 -0.216 1.00 0.00 N ATOM 1372 CA LEU A 85 3.805 1.248 -0.821 1.00 0.00 C ATOM 1373 C LEU A 85 2.638 1.934 -1.579 1.00 0.00 C ATOM 1374 O LEU A 85 2.133 1.394 -2.544 1.00 0.00 O ATOM 1375 CB LEU A 85 3.277 0.388 0.359 1.00 0.00 C ATOM 1376 CG LEU A 85 2.194 -0.590 -0.124 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.778 -1.533 -1.178 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.680 -1.410 1.064 1.00 0.00 C ATOM 0 H LEU A 85 4.777 2.265 0.796 1.00 0.00 H new ATOM 0 HA LEU A 85 4.349 0.619 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.101 -0.167 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.869 1.037 1.134 1.00 0.00 H new ATOM 0 HG LEU A 85 1.371 -0.026 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.006 -2.224 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.141 -0.951 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.604 -2.097 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.912 -2.104 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.505 -1.970 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.257 -0.740 1.812 1.00 0.00 H new ATOM 1390 N ILE A 86 2.217 3.134 -1.163 1.00 0.00 N ATOM 1391 CA ILE A 86 1.101 3.815 -1.906 1.00 0.00 C ATOM 1392 C ILE A 86 1.520 4.057 -3.368 1.00 0.00 C ATOM 1393 O ILE A 86 0.717 3.914 -4.272 1.00 0.00 O ATOM 1394 CB ILE A 86 0.811 5.150 -1.180 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.427 5.803 -1.801 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.002 6.112 -1.304 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.219 6.529 -0.715 1.00 0.00 C ATOM 0 H ILE A 86 2.593 3.646 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 86 0.202 3.198 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 86 0.640 4.940 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.129 6.505 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.051 5.046 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.773 7.043 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.886 5.656 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.193 6.321 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.100 6.994 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.529 5.815 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.593 7.297 -0.260 1.00 0.00 H new ATOM 1409 N ASN A 87 2.772 4.404 -3.614 1.00 0.00 N ATOM 1410 CA ASN A 87 3.207 4.621 -5.036 1.00 0.00 C ATOM 1411 C ASN A 87 3.199 3.271 -5.763 1.00 0.00 C ATOM 1412 O ASN A 87 2.719 3.164 -6.873 1.00 0.00 O ATOM 1413 CB ASN A 87 4.632 5.196 -4.987 1.00 0.00 C ATOM 1414 CG ASN A 87 4.578 6.664 -4.549 1.00 0.00 C ATOM 1415 OD1 ASN A 87 3.636 7.364 -4.861 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.554 7.170 -3.833 1.00 0.00 N ATOM 0 H ASN A 87 3.494 4.543 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 87 2.543 5.304 -5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.244 4.621 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.102 5.115 -5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.519 8.147 -3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.348 6.587 -3.568 1.00 0.00 H new ATOM 1423 N LEU A 88 3.715 2.229 -5.132 1.00 0.00 N ATOM 1424 CA LEU A 88 3.723 0.869 -5.789 1.00 0.00 C ATOM 1425 C LEU A 88 2.307 0.505 -6.259 1.00 0.00 C ATOM 1426 O LEU A 88 2.126 -0.016 -7.343 1.00 0.00 O ATOM 1427 CB LEU A 88 4.185 -0.138 -4.722 1.00 0.00 C ATOM 1428 CG LEU A 88 5.688 -0.378 -4.858 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.244 -0.880 -3.525 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.938 -1.427 -5.942 1.00 0.00 C ATOM 0 H LEU A 88 4.127 2.261 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 88 4.384 0.860 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.956 0.242 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.645 -1.078 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 88 6.184 0.553 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.316 -1.052 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.063 -0.134 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.750 -1.812 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.010 -1.600 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.444 -2.359 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.539 -1.071 -6.892 1.00 0.00 H new ATOM 1442 N LEU A 89 1.297 0.785 -5.455 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.105 0.454 -5.888 1.00 0.00 C ATOM 1444 C LEU A 89 -0.449 1.242 -7.157 1.00 0.00 C ATOM 1445 O LEU A 89 -1.073 0.721 -8.061 1.00 0.00 O ATOM 1446 CB LEU A 89 -1.034 0.860 -4.737 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.921 -0.172 -3.617 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.688 0.321 -2.386 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.514 -1.497 -4.097 1.00 0.00 C ATOM 0 H LEU A 89 1.382 1.220 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.213 -0.607 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.764 1.849 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.064 0.922 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 89 0.127 -0.315 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.607 -0.416 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.266 1.268 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.738 0.462 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.437 -2.239 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.562 -1.353 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.966 -1.845 -4.973 1.00 0.00 H new ATOM 1461 N ALA A 90 -0.029 2.488 -7.245 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.323 3.282 -8.476 1.00 0.00 C ATOM 1463 C ALA A 90 0.950 3.431 -9.332 1.00 0.00 C ATOM 1464 O ALA A 90 1.096 4.400 -10.051 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.803 4.650 -7.976 1.00 0.00 C ATOM 0 H ALA A 90 0.498 2.980 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.072 2.799 -9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.038 5.287 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.695 4.521 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.018 5.116 -7.380 1.00 0.00 H new ATOM 1471 N GLU A 91 1.873 2.480 -9.275 1.00 0.00 N ATOM 1472 CA GLU A 91 3.117 2.606 -10.109 1.00 0.00 C ATOM 1473 C GLU A 91 2.981 1.772 -11.390 1.00 0.00 C ATOM 1474 O GLU A 91 3.304 2.238 -12.468 1.00 0.00 O ATOM 1475 CB GLU A 91 4.270 2.070 -9.242 1.00 0.00 C ATOM 1476 CG GLU A 91 5.418 3.082 -9.225 1.00 0.00 C ATOM 1477 CD GLU A 91 6.427 2.692 -8.143 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.069 2.750 -6.979 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.540 2.342 -8.499 1.00 0.00 O ATOM 0 H GLU A 91 1.816 1.641 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 91 3.294 3.639 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.919 1.887 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.620 1.116 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.906 3.110 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.032 4.083 -9.033 1.00 0.00 H new ATOM 1486 N ASN A 92 2.516 0.543 -11.291 1.00 0.00 N ATOM 1487 CA ASN A 92 2.377 -0.299 -12.518 1.00 0.00 C ATOM 1488 C ASN A 92 0.900 -0.640 -12.793 1.00 0.00 C ATOM 1489 O ASN A 92 0.600 -1.699 -13.314 1.00 0.00 O ATOM 1490 CB ASN A 92 3.171 -1.570 -12.219 1.00 0.00 C ATOM 1491 CG ASN A 92 4.666 -1.305 -12.439 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.031 -0.514 -13.286 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.557 -1.933 -11.711 1.00 0.00 N ATOM 0 H ASN A 92 2.231 0.095 -10.420 1.00 0.00 H new ATOM 0 HA ASN A 92 2.743 0.219 -13.404 1.00 0.00 H new ATOM 0 HB2 ASN A 92 2.995 -1.888 -11.191 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.836 -2.381 -12.865 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.551 -1.757 -11.857 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.256 -2.598 -10.998 1.00 0.00 H new ATOM 1500 N GLY A 93 -0.026 0.235 -12.451 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.463 -0.066 -12.700 1.00 0.00 C ATOM 1502 C GLY A 93 -1.946 -1.064 -11.647 1.00 0.00 C ATOM 1503 O GLY A 93 -2.580 -2.052 -11.971 1.00 0.00 O ATOM 0 H GLY A 93 0.159 1.137 -12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.054 0.849 -12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.594 -0.479 -13.700 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.650 -0.822 -10.385 1.00 0.00 N ATOM 1508 CA ARG A 94 -2.098 -1.776 -9.327 1.00 0.00 C ATOM 1509 C ARG A 94 -3.277 -1.192 -8.528 1.00 0.00 C ATOM 1510 O ARG A 94 -3.410 -1.456 -7.347 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.877 -1.991 -8.416 1.00 0.00 C ATOM 1512 CG ARG A 94 -0.420 -3.455 -8.490 1.00 0.00 C ATOM 1513 CD ARG A 94 0.815 -3.566 -9.388 1.00 0.00 C ATOM 1514 NE ARG A 94 0.279 -3.875 -10.742 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.461 -5.057 -11.263 1.00 0.00 C ATOM 1516 NH1 ARG A 94 1.559 -5.321 -11.917 1.00 0.00 N ATOM 1517 NH2 ARG A 94 -0.455 -5.978 -11.129 1.00 0.00 N ATOM 0 H ARG A 94 -1.124 -0.014 -10.052 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.448 -2.714 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.064 -1.332 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.129 -1.731 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.189 -3.825 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.224 -4.078 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.385 -2.637 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.487 -4.351 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.231 -3.162 -11.263 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.276 -4.603 -12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.700 -6.246 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.313 -5.773 -10.617 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.312 -6.902 -11.536 1.00 0.00 H new ATOM 1531 N LEU A 95 -4.150 -0.425 -9.156 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.322 0.130 -8.406 1.00 0.00 C ATOM 1533 C LEU A 95 -6.607 -0.641 -8.772 1.00 0.00 C ATOM 1534 O LEU A 95 -7.698 -0.118 -8.664 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.424 1.601 -8.821 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.315 2.404 -8.134 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -4.248 3.807 -8.738 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.613 2.509 -6.635 1.00 0.00 C ATOM 0 H LEU A 95 -4.099 -0.166 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.197 0.034 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.336 1.691 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.400 2.000 -8.546 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.360 1.900 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.458 4.377 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.035 3.734 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.203 4.312 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.824 3.080 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.569 3.012 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.659 1.510 -6.202 1.00 0.00 H new ATOM 1550 N THR A 96 -6.486 -1.895 -9.166 1.00 0.00 N ATOM 1551 CA THR A 96 -7.697 -2.709 -9.492 1.00 0.00 C ATOM 1552 C THR A 96 -7.877 -3.728 -8.363 1.00 0.00 C ATOM 1553 O THR A 96 -8.915 -3.789 -7.731 1.00 0.00 O ATOM 1554 CB THR A 96 -7.390 -3.405 -10.822 1.00 0.00 C ATOM 1555 OG1 THR A 96 -6.240 -4.224 -10.671 1.00 0.00 O ATOM 1556 CG2 THR A 96 -7.134 -2.353 -11.902 1.00 0.00 C ATOM 0 H THR A 96 -5.597 -2.384 -9.274 1.00 0.00 H new ATOM 0 HA THR A 96 -8.610 -2.121 -9.581 1.00 0.00 H new ATOM 0 HB THR A 96 -8.239 -4.023 -11.115 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.516 -5.139 -10.455 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.916 -2.848 -12.848 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.018 -1.726 -12.016 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.285 -1.733 -11.613 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.844 -4.497 -8.068 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.927 -5.465 -6.941 1.00 0.00 C ATOM 1566 C ASN A 97 -6.139 -4.900 -5.743 1.00 0.00 C ATOM 1567 O ASN A 97 -5.499 -5.640 -5.018 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.273 -6.753 -7.455 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.059 -7.281 -8.660 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -6.598 -7.097 -9.873 1.00 0.00 O flip ATOM 1571 ND2 ASN A 97 -8.110 -7.871 -8.499 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.953 -4.488 -8.565 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.951 -5.648 -6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.238 -6.560 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.252 -7.503 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.474 -8.017 -7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.628 -8.220 -9.306 1.00 0.00 H new ATOM 1578 N THR A 98 -6.173 -3.588 -5.525 1.00 0.00 N ATOM 1579 CA THR A 98 -5.412 -3.007 -4.370 1.00 0.00 C ATOM 1580 C THR A 98 -6.023 -3.363 -2.987 1.00 0.00 C ATOM 1581 O THR A 98 -5.271 -3.469 -2.037 1.00 0.00 O ATOM 1582 CB THR A 98 -5.353 -1.478 -4.578 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.463 -0.910 -3.629 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.738 -0.851 -4.406 1.00 0.00 C ATOM 0 H THR A 98 -6.688 -2.914 -6.092 1.00 0.00 H new ATOM 0 HA THR A 98 -4.412 -3.440 -4.354 1.00 0.00 H new ATOM 0 HB THR A 98 -5.003 -1.279 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.959 -0.670 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.671 0.226 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.424 -1.278 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.107 -1.054 -3.401 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.340 -3.543 -2.870 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.904 -3.883 -1.535 1.00 0.00 C ATOM 1594 C PRO A 99 -7.479 -5.304 -1.125 1.00 0.00 C ATOM 1595 O PRO A 99 -7.209 -5.558 0.033 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.413 -3.780 -1.725 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.632 -3.988 -3.185 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.407 -3.466 -3.892 1.00 0.00 C ATOM 0 HA PRO A 99 -7.552 -3.224 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.937 -4.532 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.786 -2.807 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.784 -5.045 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.525 -3.461 -3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.165 -4.069 -4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.553 -2.443 -4.240 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.397 -6.235 -2.062 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.960 -7.634 -1.692 1.00 0.00 C ATOM 1608 C ALA A 100 -5.587 -7.587 -0.993 1.00 0.00 C ATOM 1609 O ALA A 100 -5.334 -8.344 -0.074 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.853 -8.425 -3.004 1.00 0.00 C ATOM 0 H ALA A 100 -7.610 -6.091 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.670 -8.100 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.539 -9.446 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.824 -8.441 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.120 -7.950 -3.656 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.701 -6.701 -1.413 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.350 -6.622 -0.746 1.00 0.00 C ATOM 1618 C VAL A 101 -3.527 -6.281 0.744 1.00 0.00 C ATOM 1619 O VAL A 101 -2.839 -6.822 1.590 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.563 -5.502 -1.459 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.178 -5.346 -0.817 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.397 -5.856 -2.943 1.00 0.00 C ATOM 0 H VAL A 101 -4.851 -6.040 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.819 -7.571 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.112 -4.565 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.628 -4.554 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.292 -5.090 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.628 -6.283 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.841 -5.065 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.853 -6.796 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.379 -5.959 -3.405 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.444 -5.391 1.076 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.644 -5.038 2.528 1.00 0.00 C ATOM 1634 C ILE A 102 -5.116 -6.280 3.309 1.00 0.00 C ATOM 1635 O ILE A 102 -4.719 -6.485 4.440 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.714 -3.928 2.575 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.201 -2.694 1.821 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.005 -3.543 4.029 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.368 -1.990 1.124 1.00 0.00 C ATOM 0 H ILE A 102 -5.052 -4.902 0.418 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.715 -4.695 2.984 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.629 -4.295 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.713 -2.009 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.452 -2.991 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.762 -2.759 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.370 -4.416 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.091 -3.180 4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.998 -1.115 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.836 -2.675 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.101 -1.678 1.868 1.00 0.00 H new ATOM 1651 N SER A 103 -5.958 -7.114 2.720 1.00 0.00 N ATOM 1652 CA SER A 103 -6.431 -8.341 3.463 1.00 0.00 C ATOM 1653 C SER A 103 -5.225 -9.208 3.848 1.00 0.00 C ATOM 1654 O SER A 103 -5.113 -9.648 4.976 1.00 0.00 O ATOM 1655 CB SER A 103 -7.356 -9.113 2.508 1.00 0.00 C ATOM 1656 OG SER A 103 -7.925 -10.218 3.198 1.00 0.00 O ATOM 0 H SER A 103 -6.331 -7.002 1.777 1.00 0.00 H new ATOM 0 HA SER A 103 -6.959 -8.071 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.143 -8.457 2.136 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.794 -9.461 1.641 1.00 0.00 H new ATOM 0 HG SER A 103 -8.517 -10.712 2.593 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.308 -9.440 2.927 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.094 -10.268 3.277 1.00 0.00 C ATOM 1664 C ALA A 104 -2.363 -9.647 4.485 1.00 0.00 C ATOM 1665 O ALA A 104 -1.803 -10.353 5.302 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.177 -10.256 2.043 1.00 0.00 C ATOM 0 H ALA A 104 -4.344 -9.100 1.966 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.377 -11.286 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.282 -10.844 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.706 -10.686 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.891 -9.230 1.812 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.373 -8.330 4.613 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.683 -7.681 5.785 1.00 0.00 C ATOM 1674 C PHE A 105 -2.290 -8.204 7.091 1.00 0.00 C ATOM 1675 O PHE A 105 -1.578 -8.631 7.980 1.00 0.00 O ATOM 1676 CB PHE A 105 -1.948 -6.166 5.652 1.00 0.00 C ATOM 1677 CG PHE A 105 -0.983 -5.373 6.504 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -0.973 -5.525 7.897 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.096 -4.476 5.897 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.082 -4.785 8.672 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.795 -3.738 6.675 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.801 -3.892 8.061 1.00 0.00 C ATOM 0 H PHE A 105 -2.824 -7.686 3.964 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.615 -7.899 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.850 -5.866 4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.972 -5.944 5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.656 -6.215 8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.102 -4.355 4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.074 -4.902 9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.480 -3.048 6.205 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.490 -3.319 8.664 1.00 0.00 H new ATOM 1692 N SER A 106 -3.600 -8.175 7.214 1.00 0.00 N ATOM 1693 CA SER A 106 -4.231 -8.681 8.481 1.00 0.00 C ATOM 1694 C SER A 106 -3.940 -10.181 8.664 1.00 0.00 C ATOM 1695 O SER A 106 -3.841 -10.654 9.782 1.00 0.00 O ATOM 1696 CB SER A 106 -5.743 -8.445 8.352 1.00 0.00 C ATOM 1697 OG SER A 106 -6.045 -7.110 8.735 1.00 0.00 O ATOM 0 H SER A 106 -4.249 -7.830 6.507 1.00 0.00 H new ATOM 0 HA SER A 106 -3.827 -8.160 9.349 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.064 -8.622 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.287 -9.148 8.982 1.00 0.00 H new ATOM 0 HG SER A 106 -7.009 -6.956 8.652 1.00 0.00 H new ATOM 1703 N THR A 107 -3.801 -10.938 7.589 1.00 0.00 N ATOM 1704 CA THR A 107 -3.517 -12.405 7.757 1.00 0.00 C ATOM 1705 C THR A 107 -2.071 -12.617 8.203 1.00 0.00 C ATOM 1706 O THR A 107 -1.826 -13.381 9.120 1.00 0.00 O ATOM 1707 CB THR A 107 -3.772 -13.073 6.396 1.00 0.00 C ATOM 1708 OG1 THR A 107 -4.682 -12.282 5.646 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.362 -14.468 6.613 1.00 0.00 C ATOM 0 H THR A 107 -3.870 -10.610 6.626 1.00 0.00 H new ATOM 0 HA THR A 107 -4.159 -12.842 8.522 1.00 0.00 H new ATOM 0 HB THR A 107 -2.832 -13.160 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.844 -12.705 4.777 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.543 -14.941 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.662 -15.074 7.189 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.302 -14.385 7.158 1.00 0.00 H new ATOM 1717 N MET A 108 -1.108 -11.940 7.606 1.00 0.00 N ATOM 1718 CA MET A 108 0.298 -12.138 8.088 1.00 0.00 C ATOM 1719 C MET A 108 0.467 -11.417 9.428 1.00 0.00 C ATOM 1720 O MET A 108 1.213 -11.865 10.279 1.00 0.00 O ATOM 1721 CB MET A 108 1.254 -11.555 7.045 1.00 0.00 C ATOM 1722 CG MET A 108 2.676 -12.070 7.337 1.00 0.00 C ATOM 1723 SD MET A 108 3.162 -13.294 6.091 1.00 0.00 S ATOM 1724 CE MET A 108 4.913 -13.391 6.537 1.00 0.00 C ATOM 0 H MET A 108 -1.230 -11.284 6.835 1.00 0.00 H new ATOM 0 HA MET A 108 0.516 -13.197 8.226 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.944 -11.849 6.042 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.232 -10.466 7.079 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.380 -11.238 7.335 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.713 -12.516 8.331 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.416 -14.103 5.883 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.372 -12.409 6.426 1.00 0.00 H new ATOM 0 HE3 MET A 108 5.007 -13.720 7.572 1.00 0.00 H new ATOM 1734 N MET A 109 -0.235 -10.310 9.648 1.00 0.00 N ATOM 1735 CA MET A 109 -0.104 -9.603 10.968 1.00 0.00 C ATOM 1736 C MET A 109 -0.409 -10.600 12.099 1.00 0.00 C ATOM 1737 O MET A 109 0.262 -10.610 13.105 1.00 0.00 O ATOM 1738 CB MET A 109 -1.138 -8.459 10.966 1.00 0.00 C ATOM 1739 CG MET A 109 -1.101 -7.718 12.306 1.00 0.00 C ATOM 1740 SD MET A 109 -2.137 -6.236 12.206 1.00 0.00 S ATOM 1741 CE MET A 109 -2.307 -5.958 13.986 1.00 0.00 C ATOM 0 H MET A 109 -0.877 -9.880 8.982 1.00 0.00 H new ATOM 0 HA MET A 109 0.900 -9.207 11.119 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.925 -7.766 10.152 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.136 -8.860 10.790 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.456 -8.370 13.104 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.076 -7.442 12.553 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.921 -5.075 14.159 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.781 -6.825 14.446 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.321 -5.807 14.426 1.00 0.00 H new ATOM 1751 N SER A 110 -1.390 -11.469 11.935 1.00 0.00 N ATOM 1752 CA SER A 110 -1.663 -12.469 13.037 1.00 0.00 C ATOM 1753 C SER A 110 -0.402 -13.310 13.315 1.00 0.00 C ATOM 1754 O SER A 110 -0.172 -13.720 14.438 1.00 0.00 O ATOM 1755 CB SER A 110 -2.811 -13.367 12.556 1.00 0.00 C ATOM 1756 OG SER A 110 -4.030 -12.636 12.600 1.00 0.00 O ATOM 0 H SER A 110 -1.996 -11.532 11.117 1.00 0.00 H new ATOM 0 HA SER A 110 -1.933 -11.963 13.964 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.617 -13.712 11.540 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.883 -14.254 13.186 1.00 0.00 H new ATOM 0 HG SER A 110 -4.765 -13.206 12.292 1.00 0.00 H new ATOM 1762 N VAL A 111 0.430 -13.555 12.318 1.00 0.00 N ATOM 1763 CA VAL A 111 1.680 -14.352 12.575 1.00 0.00 C ATOM 1764 C VAL A 111 2.776 -13.476 13.227 1.00 0.00 C ATOM 1765 O VAL A 111 3.767 -13.999 13.702 1.00 0.00 O ATOM 1766 CB VAL A 111 2.153 -14.879 11.209 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.408 -15.738 11.392 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.047 -15.729 10.579 1.00 0.00 C ATOM 0 H VAL A 111 0.299 -13.243 11.356 1.00 0.00 H new ATOM 0 HA VAL A 111 1.479 -15.170 13.267 1.00 0.00 H new ATOM 0 HB VAL A 111 2.383 -14.035 10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.739 -16.109 10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.199 -15.136 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.180 -16.581 12.044 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.382 -16.102 9.611 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.817 -16.570 11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.153 -15.120 10.443 1.00 0.00 H new ATOM 1778 N HIS A 112 2.618 -12.160 13.280 1.00 0.00 N ATOM 1779 CA HIS A 112 3.663 -11.314 13.926 1.00 0.00 C ATOM 1780 C HIS A 112 3.405 -11.229 15.454 1.00 0.00 C ATOM 1781 O HIS A 112 4.317 -10.959 16.215 1.00 0.00 O ATOM 1782 CB HIS A 112 3.579 -9.936 13.202 1.00 0.00 C ATOM 1783 CG HIS A 112 2.893 -8.886 14.042 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.576 -8.986 14.448 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.358 -7.731 14.574 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.301 -7.911 15.202 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.358 -7.106 15.313 1.00 0.00 N ATOM 0 H HIS A 112 1.816 -11.653 12.905 1.00 0.00 H new ATOM 0 HA HIS A 112 4.670 -11.720 13.831 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.585 -9.598 12.952 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.040 -10.055 12.262 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.930 -9.741 14.216 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.360 -7.350 14.444 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.342 -7.721 15.662 1.00 0.00 H new ATOM 1795 N ARG A 113 2.180 -11.455 15.914 1.00 0.00 N ATOM 1796 CA ARG A 113 1.919 -11.377 17.391 1.00 0.00 C ATOM 1797 C ARG A 113 2.158 -12.745 18.053 1.00 0.00 C ATOM 1798 O ARG A 113 2.616 -12.814 19.179 1.00 0.00 O ATOM 1799 CB ARG A 113 0.451 -10.955 17.549 1.00 0.00 C ATOM 1800 CG ARG A 113 0.243 -10.337 18.933 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.827 -9.246 18.850 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.396 -9.161 20.223 1.00 0.00 N ATOM 1803 CZ ARG A 113 -1.211 -8.086 20.940 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -0.024 -7.551 21.021 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -2.215 -7.546 21.577 1.00 0.00 N ATOM 0 H ARG A 113 1.371 -11.685 15.337 1.00 0.00 H new ATOM 0 HA ARG A 113 2.589 -10.665 17.872 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.183 -10.237 16.774 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.202 -11.818 17.423 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.061 -11.105 19.644 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.179 -9.916 19.299 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.397 -8.293 18.541 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.595 -9.501 18.119 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.930 -9.942 20.603 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.760 -7.973 20.524 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.120 -6.711 21.581 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.143 -7.964 21.514 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.071 -6.706 22.137 1.00 0.00 H new ATOM 1819 N GLY A 114 1.854 -13.837 17.373 1.00 0.00 N ATOM 1820 CA GLY A 114 2.072 -15.182 17.987 1.00 0.00 C ATOM 1821 C GLY A 114 3.340 -15.821 17.398 1.00 0.00 C ATOM 1822 O GLY A 114 3.356 -17.002 17.101 1.00 0.00 O ATOM 0 H GLY A 114 1.468 -13.847 16.429 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.170 -15.087 19.068 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.210 -15.822 17.800 1.00 0.00 H new ATOM 2000 N GLU B 7 8.451 -9.094 -6.213 1.00 0.00 N ATOM 2001 CA GLU B 7 8.812 -8.809 -4.784 1.00 0.00 C ATOM 2002 C GLU B 7 9.616 -7.504 -4.689 1.00 0.00 C ATOM 2003 O GLU B 7 10.584 -7.420 -3.956 1.00 0.00 O ATOM 2004 CB GLU B 7 9.657 -10.003 -4.324 1.00 0.00 C ATOM 2005 CG GLU B 7 9.466 -10.215 -2.820 1.00 0.00 C ATOM 2006 CD GLU B 7 10.611 -11.069 -2.275 1.00 0.00 C ATOM 2007 OE1 GLU B 7 10.502 -12.283 -2.341 1.00 0.00 O ATOM 2008 OE2 GLU B 7 11.577 -10.496 -1.800 1.00 0.00 O ATOM 0 HA GLU B 7 7.928 -8.683 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU B 7 9.364 -10.901 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.709 -9.825 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU B 7 9.439 -9.254 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.511 -10.704 -2.630 1.00 0.00 H new ATOM 2015 N VAL B 8 9.218 -6.480 -5.419 1.00 0.00 N ATOM 2016 CA VAL B 8 9.976 -5.179 -5.348 1.00 0.00 C ATOM 2017 C VAL B 8 9.802 -4.559 -3.953 1.00 0.00 C ATOM 2018 O VAL B 8 10.740 -4.027 -3.391 1.00 0.00 O ATOM 2019 CB VAL B 8 9.380 -4.256 -6.427 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.129 -2.919 -6.433 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.516 -4.923 -7.802 1.00 0.00 C ATOM 0 H VAL B 8 8.416 -6.486 -6.050 1.00 0.00 H new ATOM 0 HA VAL B 8 11.042 -5.328 -5.518 1.00 0.00 H new ATOM 0 HB VAL B 8 8.327 -4.079 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.705 -2.268 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL B 8 10.032 -2.443 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL B 8 11.183 -3.093 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL B 8 9.094 -4.270 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.570 -5.101 -8.018 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.981 -5.873 -7.800 1.00 0.00 H new ATOM 2031 N SER B 9 8.614 -4.630 -3.380 1.00 0.00 N ATOM 2032 CA SER B 9 8.414 -4.042 -2.005 1.00 0.00 C ATOM 2033 C SER B 9 9.409 -4.668 -1.009 1.00 0.00 C ATOM 2034 O SER B 9 9.866 -4.008 -0.094 1.00 0.00 O ATOM 2035 CB SER B 9 6.973 -4.372 -1.586 1.00 0.00 C ATOM 2036 OG SER B 9 6.841 -4.197 -0.181 1.00 0.00 O ATOM 0 H SER B 9 7.788 -5.061 -3.796 1.00 0.00 H new ATOM 0 HA SER B 9 8.584 -2.965 -2.013 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.272 -3.725 -2.112 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.728 -5.398 -1.861 1.00 0.00 H new ATOM 0 HG SER B 9 5.909 -4.348 0.081 1.00 0.00 H new ATOM 2042 N SER B 10 9.753 -5.935 -1.174 1.00 0.00 N ATOM 2043 CA SER B 10 10.728 -6.570 -0.218 1.00 0.00 C ATOM 2044 C SER B 10 12.104 -5.908 -0.362 1.00 0.00 C ATOM 2045 O SER B 10 12.672 -5.443 0.610 1.00 0.00 O ATOM 2046 CB SER B 10 10.815 -8.056 -0.596 1.00 0.00 C ATOM 2047 OG SER B 10 11.808 -8.687 0.201 1.00 0.00 O ATOM 0 H SER B 10 9.407 -6.544 -1.915 1.00 0.00 H new ATOM 0 HA SER B 10 10.403 -6.449 0.815 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.850 -8.539 -0.444 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.060 -8.160 -1.653 1.00 0.00 H new ATOM 0 HG SER B 10 12.083 -9.526 -0.223 1.00 0.00 H new ATOM 2053 N ILE B 11 12.648 -5.852 -1.563 1.00 0.00 N ATOM 2054 CA ILE B 11 13.997 -5.200 -1.732 1.00 0.00 C ATOM 2055 C ILE B 11 13.942 -3.725 -1.287 1.00 0.00 C ATOM 2056 O ILE B 11 14.932 -3.189 -0.823 1.00 0.00 O ATOM 2057 CB ILE B 11 14.382 -5.308 -3.223 1.00 0.00 C ATOM 2058 CG1 ILE B 11 13.346 -4.587 -4.094 1.00 0.00 C ATOM 2059 CG2 ILE B 11 14.455 -6.784 -3.631 1.00 0.00 C ATOM 2060 CD1 ILE B 11 13.939 -4.327 -5.480 1.00 0.00 C ATOM 0 H ILE B 11 12.228 -6.221 -2.416 1.00 0.00 H new ATOM 0 HA ILE B 11 14.743 -5.698 -1.113 1.00 0.00 H new ATOM 0 HB ILE B 11 15.355 -4.839 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE B 11 12.443 -5.192 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.055 -3.645 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.727 -6.857 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.206 -7.292 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.484 -7.253 -3.473 1.00 0.00 H new ATOM 0 HD11 ILE B 11 13.204 -3.815 -6.100 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.829 -3.705 -5.384 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.207 -5.276 -5.945 1.00 0.00 H new ATOM 2072 N LEU B 12 12.803 -3.064 -1.404 1.00 0.00 N ATOM 2073 CA LEU B 12 12.732 -1.627 -0.957 1.00 0.00 C ATOM 2074 C LEU B 12 12.831 -1.558 0.575 1.00 0.00 C ATOM 2075 O LEU B 12 13.460 -0.667 1.115 1.00 0.00 O ATOM 2076 CB LEU B 12 11.376 -1.079 -1.431 1.00 0.00 C ATOM 2077 CG LEU B 12 11.483 0.433 -1.640 1.00 0.00 C ATOM 2078 CD1 LEU B 12 12.392 0.720 -2.834 1.00 0.00 C ATOM 2079 CD2 LEU B 12 10.090 1.008 -1.910 1.00 0.00 C ATOM 0 H LEU B 12 11.937 -3.449 -1.782 1.00 0.00 H new ATOM 0 HA LEU B 12 13.551 -1.040 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.080 -1.565 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.604 -1.302 -0.694 1.00 0.00 H new ATOM 0 HG LEU B 12 11.902 0.895 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU B 12 12.468 1.797 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.383 0.309 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU B 12 11.974 0.259 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU B 12 10.164 2.085 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.673 0.545 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU B 12 9.441 0.803 -1.059 1.00 0.00 H new ATOM 2091 N GLU B 13 12.220 -2.491 1.286 1.00 0.00 N ATOM 2092 CA GLU B 13 12.304 -2.454 2.792 1.00 0.00 C ATOM 2093 C GLU B 13 13.774 -2.518 3.243 1.00 0.00 C ATOM 2094 O GLU B 13 14.160 -1.859 4.189 1.00 0.00 O ATOM 2095 CB GLU B 13 11.538 -3.682 3.310 1.00 0.00 C ATOM 2096 CG GLU B 13 11.485 -3.650 4.843 1.00 0.00 C ATOM 2097 CD GLU B 13 12.529 -4.612 5.419 1.00 0.00 C ATOM 2098 OE1 GLU B 13 13.569 -4.767 4.800 1.00 0.00 O ATOM 2099 OE2 GLU B 13 12.269 -5.177 6.468 1.00 0.00 O ATOM 0 H GLU B 13 11.677 -3.262 0.897 1.00 0.00 H new ATOM 0 HA GLU B 13 11.876 -1.532 3.185 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.527 -3.691 2.902 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.026 -4.596 2.972 1.00 0.00 H new ATOM 0 HG2 GLU B 13 11.673 -2.638 5.201 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.490 -3.930 5.187 1.00 0.00 H new ATOM 2106 N GLU B 14 14.600 -3.305 2.575 1.00 0.00 N ATOM 2107 CA GLU B 14 16.049 -3.387 2.994 1.00 0.00 C ATOM 2108 C GLU B 14 16.696 -1.994 2.930 1.00 0.00 C ATOM 2109 O GLU B 14 17.475 -1.631 3.794 1.00 0.00 O ATOM 2110 CB GLU B 14 16.743 -4.335 2.002 1.00 0.00 C ATOM 2111 CG GLU B 14 18.169 -4.619 2.481 1.00 0.00 C ATOM 2112 CD GLU B 14 18.935 -5.369 1.390 1.00 0.00 C ATOM 2113 OE1 GLU B 14 19.401 -4.719 0.468 1.00 0.00 O ATOM 2114 OE2 GLU B 14 19.042 -6.580 1.493 1.00 0.00 O ATOM 0 H GLU B 14 14.341 -3.882 1.775 1.00 0.00 H new ATOM 0 HA GLU B 14 16.141 -3.752 4.017 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.183 -5.267 1.920 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.764 -3.887 1.008 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.677 -3.684 2.719 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.145 -5.211 3.396 1.00 0.00 H new