USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 492 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 54 LYS NZ :NH3+ 164:sc= 0.745 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot 75:sc= 0.984 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.17 K(o=1.2,f=-0.058) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 45:sc= 1.17 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 48 SER OG : rot 179:sc= -1.61! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.3!) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc=-0.00921 (180deg=-0.151) USER MOD Single : A 59 SER OG : rot -170:sc= 0.0673 USER MOD Single : A 64 CYS SG : rot 36:sc= 1.31 USER MOD Single : A 68 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.66) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 80 LYS NZ :NH3+ 132:sc= 1.12 (180deg=0.578) USER MOD Single : A 84 SER OG : rot 85:sc= 0.00634 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.192 6.026 0.519 1.00 0.00 N ATOM 201 CA LYS A 27 7.413 6.903 -0.348 1.00 0.00 C ATOM 202 C LYS A 27 6.248 6.148 -0.982 1.00 0.00 C ATOM 203 O LYS A 27 5.178 6.716 -1.190 1.00 0.00 O ATOM 204 CB LYS A 27 8.286 7.551 -1.430 1.00 0.00 C ATOM 205 CG LYS A 27 8.838 6.579 -2.459 1.00 0.00 C ATOM 206 CD LYS A 27 9.696 7.284 -3.499 1.00 0.00 C ATOM 207 CE LYS A 27 8.884 8.279 -4.312 1.00 0.00 C ATOM 208 NZ LYS A 27 9.697 8.927 -5.371 1.00 0.00 N ATOM 0 HA LYS A 27 7.010 7.701 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.699 8.312 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.119 8.063 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.431 5.815 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.013 6.067 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.517 7.802 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.141 6.545 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.036 7.768 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.477 9.043 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.105 9.598 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.492 9.436 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.064 8.202 -6.019 1.00 0.00 H new ATOM 222 N ARG A 28 6.450 4.866 -1.283 1.00 0.00 N ATOM 223 CA ARG A 28 5.378 4.046 -1.835 1.00 0.00 C ATOM 224 C ARG A 28 4.261 3.896 -0.814 1.00 0.00 C ATOM 225 O ARG A 28 3.088 4.106 -1.124 1.00 0.00 O ATOM 226 CB ARG A 28 5.878 2.662 -2.253 1.00 0.00 C ATOM 227 CG ARG A 28 6.843 2.675 -3.425 1.00 0.00 C ATOM 228 CD ARG A 28 6.994 1.289 -4.038 1.00 0.00 C ATOM 229 NE ARG A 28 7.449 0.289 -3.069 1.00 0.00 N ATOM 230 CZ ARG A 28 7.677 -0.992 -3.367 1.00 0.00 C ATOM 231 NH1 ARG A 28 7.482 -1.443 -4.600 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.089 -1.821 -2.421 1.00 0.00 N ATOM 0 H ARG A 28 7.337 4.379 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 28 5.003 4.551 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.367 2.192 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.020 2.041 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.487 3.373 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.817 3.035 -3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.038 0.975 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.703 1.337 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 28 7.601 0.590 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.155 -0.809 -5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.659 -2.424 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.231 -1.480 -1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.265 -2.801 -2.643 1.00 0.00 H new ATOM 246 N VAL A 29 4.642 3.552 0.411 1.00 0.00 N ATOM 247 CA VAL A 29 3.689 3.437 1.503 1.00 0.00 C ATOM 248 C VAL A 29 3.003 4.777 1.746 1.00 0.00 C ATOM 249 O VAL A 29 1.793 4.838 1.928 1.00 0.00 O ATOM 250 CB VAL A 29 4.373 2.956 2.803 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.384 2.900 3.956 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.019 1.595 2.594 1.00 0.00 C ATOM 0 H VAL A 29 5.607 3.348 0.671 1.00 0.00 H new ATOM 0 HA VAL A 29 2.945 2.694 1.217 1.00 0.00 H new ATOM 0 HB VAL A 29 5.150 3.677 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.894 2.558 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.970 3.893 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.578 2.208 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.496 1.272 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.257 0.871 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.768 1.665 1.805 1.00 0.00 H new ATOM 262 N SER A 30 3.787 5.849 1.713 1.00 0.00 N ATOM 263 CA SER A 30 3.270 7.196 1.934 1.00 0.00 C ATOM 264 C SER A 30 2.188 7.544 0.909 1.00 0.00 C ATOM 265 O SER A 30 1.122 8.047 1.272 1.00 0.00 O ATOM 266 CB SER A 30 4.415 8.208 1.858 1.00 0.00 C ATOM 267 OG SER A 30 4.009 9.485 2.319 1.00 0.00 O ATOM 0 H SER A 30 4.790 5.811 1.534 1.00 0.00 H new ATOM 0 HA SER A 30 2.819 7.235 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.255 7.854 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.766 8.286 0.829 1.00 0.00 H new ATOM 0 HG SER A 30 4.762 10.109 2.260 1.00 0.00 H new ATOM 273 N ASN A 31 2.458 7.246 -0.362 1.00 0.00 N ATOM 274 CA ASN A 31 1.497 7.500 -1.436 1.00 0.00 C ATOM 275 C ASN A 31 0.218 6.709 -1.210 1.00 0.00 C ATOM 276 O ASN A 31 -0.879 7.177 -1.514 1.00 0.00 O ATOM 277 CB ASN A 31 2.089 7.137 -2.803 1.00 0.00 C ATOM 278 CG ASN A 31 2.886 8.268 -3.426 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.339 9.109 -4.141 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.183 8.291 -3.175 1.00 0.00 N ATOM 0 H ASN A 31 3.335 6.828 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 31 1.266 8.565 -1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.733 6.264 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.282 6.854 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.768 9.023 -3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.600 7.577 -2.578 1.00 0.00 H new ATOM 287 N ALA A 32 0.369 5.507 -0.684 1.00 0.00 N ATOM 288 CA ALA A 32 -0.766 4.646 -0.400 1.00 0.00 C ATOM 289 C ALA A 32 -1.552 5.156 0.796 1.00 0.00 C ATOM 290 O ALA A 32 -2.773 5.222 0.754 1.00 0.00 O ATOM 291 CB ALA A 32 -0.300 3.222 -0.170 1.00 0.00 C ATOM 0 H ALA A 32 1.274 5.102 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.430 4.659 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.160 2.587 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.209 2.857 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.387 3.196 0.676 1.00 0.00 H new ATOM 297 N VAL A 33 -0.843 5.542 1.849 1.00 0.00 N ATOM 298 CA VAL A 33 -1.478 6.037 3.066 1.00 0.00 C ATOM 299 C VAL A 33 -2.296 7.291 2.771 1.00 0.00 C ATOM 300 O VAL A 33 -3.432 7.425 3.228 1.00 0.00 O ATOM 301 CB VAL A 33 -0.425 6.334 4.161 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.062 6.953 5.398 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.311 5.060 4.538 1.00 0.00 C ATOM 0 H VAL A 33 0.176 5.522 1.886 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.146 5.259 3.435 1.00 0.00 H new ATOM 0 HB VAL A 33 0.284 7.055 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.292 7.148 6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.549 7.890 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.801 6.266 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.049 5.281 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.401 4.327 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.814 4.657 3.659 1.00 0.00 H new ATOM 313 N GLU A 34 -1.729 8.194 1.980 1.00 0.00 N ATOM 314 CA GLU A 34 -2.412 9.431 1.626 1.00 0.00 C ATOM 315 C GLU A 34 -3.610 9.154 0.712 1.00 0.00 C ATOM 316 O GLU A 34 -4.629 9.845 0.782 1.00 0.00 O ATOM 317 CB GLU A 34 -1.437 10.407 0.958 1.00 0.00 C ATOM 318 CG GLU A 34 -1.040 10.027 -0.459 1.00 0.00 C ATOM 319 CD GLU A 34 -0.162 11.067 -1.118 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.705 11.939 -1.833 1.00 0.00 O ATOM 321 OE2 GLU A 34 1.068 11.022 -0.926 1.00 0.00 O ATOM 0 H GLU A 34 -0.799 8.093 1.572 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.787 9.887 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.889 11.399 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.537 10.477 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.514 9.072 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.939 9.884 -1.058 1.00 0.00 H new ATOM 328 N PHE A 35 -3.474 8.151 -0.150 1.00 0.00 N ATOM 329 CA PHE A 35 -4.546 7.763 -1.060 1.00 0.00 C ATOM 330 C PHE A 35 -5.665 7.053 -0.304 1.00 0.00 C ATOM 331 O PHE A 35 -6.842 7.332 -0.507 1.00 0.00 O ATOM 332 CB PHE A 35 -3.984 6.854 -2.158 1.00 0.00 C ATOM 333 CG PHE A 35 -4.993 6.413 -3.181 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.470 7.303 -4.131 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.452 5.105 -3.201 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.388 6.896 -5.079 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.370 4.694 -4.147 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.839 5.590 -5.088 1.00 0.00 C ATOM 0 H PHE A 35 -2.627 7.590 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.963 8.661 -1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.175 7.378 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.548 5.970 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.120 8.325 -4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.088 4.400 -2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.753 7.599 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.721 3.673 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.557 5.270 -5.829 1.00 0.00 H new ATOM 348 N LEU A 36 -5.278 6.160 0.593 1.00 0.00 N ATOM 349 CA LEU A 36 -6.223 5.386 1.388 1.00 0.00 C ATOM 350 C LEU A 36 -7.018 6.274 2.335 1.00 0.00 C ATOM 351 O LEU A 36 -8.159 5.967 2.678 1.00 0.00 O ATOM 352 CB LEU A 36 -5.489 4.304 2.167 1.00 0.00 C ATOM 353 CG LEU A 36 -4.909 3.169 1.321 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.128 2.202 2.194 1.00 0.00 C ATOM 355 CD2 LEU A 36 -6.016 2.440 0.572 1.00 0.00 C ATOM 0 H LEU A 36 -4.300 5.950 0.792 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.930 4.917 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.677 4.769 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.176 3.876 2.898 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.227 3.600 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.722 1.401 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.311 2.732 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.790 1.778 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.584 1.636 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.724 2.021 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.534 3.140 -0.084 1.00 0.00 H new ATOM 367 N LEU A 37 -6.413 7.373 2.762 1.00 0.00 N ATOM 368 CA LEU A 37 -7.045 8.272 3.717 1.00 0.00 C ATOM 369 C LEU A 37 -7.973 9.258 3.027 1.00 0.00 C ATOM 370 O LEU A 37 -8.521 10.159 3.666 1.00 0.00 O ATOM 371 CB LEU A 37 -5.983 9.040 4.505 1.00 0.00 C ATOM 372 CG LEU A 37 -5.458 8.323 5.744 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.316 9.105 6.372 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.588 8.136 6.740 1.00 0.00 C ATOM 0 H LEU A 37 -5.483 7.664 2.461 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.638 7.661 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.143 9.252 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.400 10.000 4.808 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.075 7.345 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.955 8.577 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.504 9.205 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.669 10.095 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.212 7.623 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.986 9.110 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.379 7.540 6.285 1.00 0.00 H new ATOM 386 N ASP A 38 -8.168 9.078 1.733 1.00 0.00 N ATOM 387 CA ASP A 38 -9.039 9.961 0.980 1.00 0.00 C ATOM 388 C ASP A 38 -10.496 9.531 1.114 1.00 0.00 C ATOM 389 O ASP A 38 -10.810 8.345 1.028 1.00 0.00 O ATOM 390 CB ASP A 38 -8.641 9.982 -0.493 1.00 0.00 C ATOM 391 CG ASP A 38 -9.466 10.957 -1.305 1.00 0.00 C ATOM 392 OD1 ASP A 38 -10.467 10.532 -1.911 1.00 0.00 O ATOM 393 OD2 ASP A 38 -9.115 12.154 -1.344 1.00 0.00 O ATOM 0 H ASP A 38 -7.738 8.333 1.185 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.931 10.965 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.587 10.246 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.753 8.981 -0.910 1.00 0.00 H new ATOM 398 N SER A 39 -11.374 10.509 1.310 1.00 0.00 N ATOM 399 CA SER A 39 -12.802 10.265 1.502 1.00 0.00 C ATOM 400 C SER A 39 -13.398 9.423 0.371 1.00 0.00 C ATOM 401 O SER A 39 -14.170 8.492 0.617 1.00 0.00 O ATOM 402 CB SER A 39 -13.536 11.607 1.604 1.00 0.00 C ATOM 403 OG SER A 39 -14.931 11.430 1.778 1.00 0.00 O ATOM 0 H SER A 39 -11.117 11.496 1.341 1.00 0.00 H new ATOM 0 HA SER A 39 -12.927 9.699 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.135 12.179 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.353 12.191 0.702 1.00 0.00 H new ATOM 0 HG SER A 39 -15.367 12.306 1.841 1.00 0.00 H new ATOM 409 N ARG A 40 -13.033 9.743 -0.865 1.00 0.00 N ATOM 410 CA ARG A 40 -13.577 9.050 -2.027 1.00 0.00 C ATOM 411 C ARG A 40 -13.074 7.615 -2.072 1.00 0.00 C ATOM 412 O ARG A 40 -13.834 6.681 -2.333 1.00 0.00 O ATOM 413 CB ARG A 40 -13.195 9.782 -3.313 1.00 0.00 C ATOM 414 CG ARG A 40 -13.607 11.244 -3.318 1.00 0.00 C ATOM 415 CD ARG A 40 -13.151 11.953 -4.583 1.00 0.00 C ATOM 416 NE ARG A 40 -13.864 11.476 -5.767 1.00 0.00 N ATOM 417 CZ ARG A 40 -13.552 11.824 -7.014 1.00 0.00 C ATOM 418 NH1 ARG A 40 -12.497 12.598 -7.250 1.00 0.00 N ATOM 419 NH2 ARG A 40 -14.290 11.386 -8.024 1.00 0.00 N ATOM 0 H ARG A 40 -12.362 10.478 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.664 9.038 -1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.116 9.715 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.659 9.278 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.691 11.317 -3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.183 11.744 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.308 13.026 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.080 11.800 -4.718 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.648 10.838 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.923 12.928 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.262 12.862 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.094 10.784 -7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.054 11.651 -8.980 1.00 0.00 H new ATOM 433 N VAL A 41 -11.789 7.452 -1.791 1.00 0.00 N ATOM 434 CA VAL A 41 -11.149 6.145 -1.808 1.00 0.00 C ATOM 435 C VAL A 41 -11.690 5.256 -0.693 1.00 0.00 C ATOM 436 O VAL A 41 -11.822 4.041 -0.855 1.00 0.00 O ATOM 437 CB VAL A 41 -9.620 6.282 -1.672 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.945 4.918 -1.662 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.073 7.143 -2.798 1.00 0.00 C ATOM 0 H VAL A 41 -11.163 8.219 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.377 5.679 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.402 6.766 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.867 5.046 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.318 4.334 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.166 4.396 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.992 7.234 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.307 6.680 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.527 8.133 -2.752 1.00 0.00 H new ATOM 449 N ARG A 42 -12.014 5.864 0.438 1.00 0.00 N ATOM 450 CA ARG A 42 -12.585 5.128 1.560 1.00 0.00 C ATOM 451 C ARG A 42 -13.980 4.607 1.227 1.00 0.00 C ATOM 452 O ARG A 42 -14.447 3.638 1.824 1.00 0.00 O ATOM 453 CB ARG A 42 -12.641 6.010 2.807 1.00 0.00 C ATOM 454 CG ARG A 42 -11.272 6.407 3.327 1.00 0.00 C ATOM 455 CD ARG A 42 -11.377 7.276 4.568 1.00 0.00 C ATOM 456 NE ARG A 42 -11.988 6.559 5.686 1.00 0.00 N ATOM 457 CZ ARG A 42 -12.258 7.114 6.867 1.00 0.00 C ATOM 458 NH1 ARG A 42 -11.970 8.391 7.084 1.00 0.00 N ATOM 459 NH2 ARG A 42 -12.820 6.395 7.830 1.00 0.00 N ATOM 0 H ARG A 42 -11.892 6.863 0.605 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.939 4.273 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.211 6.911 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.181 5.481 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.695 5.511 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.729 6.945 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.383 7.619 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.967 8.164 4.340 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.222 5.575 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.541 8.950 6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.177 8.814 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.047 5.414 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.025 6.823 8.733 1.00 0.00 H new ATOM 473 N ARG A 43 -14.638 5.242 0.265 1.00 0.00 N ATOM 474 CA ARG A 43 -15.990 4.854 -0.113 1.00 0.00 C ATOM 475 C ARG A 43 -15.967 3.699 -1.117 1.00 0.00 C ATOM 476 O ARG A 43 -16.969 3.008 -1.305 1.00 0.00 O ATOM 477 CB ARG A 43 -16.741 6.058 -0.689 1.00 0.00 C ATOM 478 CG ARG A 43 -18.220 5.805 -0.940 1.00 0.00 C ATOM 479 CD ARG A 43 -18.914 7.050 -1.463 1.00 0.00 C ATOM 480 NE ARG A 43 -18.313 7.527 -2.706 1.00 0.00 N ATOM 481 CZ ARG A 43 -18.648 8.664 -3.311 1.00 0.00 C ATOM 482 NH1 ARG A 43 -19.594 9.443 -2.801 1.00 0.00 N ATOM 483 NH2 ARG A 43 -18.030 9.024 -4.428 1.00 0.00 N ATOM 0 H ARG A 43 -14.258 6.026 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.513 4.510 0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.638 6.899 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.269 6.352 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.335 4.993 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -18.698 5.482 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -19.969 6.834 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.864 7.837 -0.710 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.590 6.952 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -20.069 9.171 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.846 10.313 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.300 8.430 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -18.285 9.895 -4.894 1.00 0.00 H new ATOM 497 N THR A 44 -14.824 3.488 -1.755 1.00 0.00 N ATOM 498 CA THR A 44 -14.657 2.357 -2.661 1.00 0.00 C ATOM 499 C THR A 44 -14.237 1.105 -1.891 1.00 0.00 C ATOM 500 O THR A 44 -13.737 1.204 -0.770 1.00 0.00 O ATOM 501 CB THR A 44 -13.627 2.667 -3.767 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.673 3.630 -3.302 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.315 3.189 -5.017 1.00 0.00 C ATOM 0 H THR A 44 -14.000 4.082 -1.663 1.00 0.00 H new ATOM 0 HA THR A 44 -15.621 2.174 -3.136 1.00 0.00 H new ATOM 0 HB THR A 44 -13.110 1.740 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.384 3.393 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.568 3.400 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.013 2.439 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.859 4.103 -4.778 1.00 0.00 H new ATOM 511 N PRO A 45 -14.459 -0.090 -2.465 1.00 0.00 N ATOM 512 CA PRO A 45 -14.108 -1.359 -1.815 1.00 0.00 C ATOM 513 C PRO A 45 -12.603 -1.527 -1.633 1.00 0.00 C ATOM 514 O PRO A 45 -11.804 -0.917 -2.351 1.00 0.00 O ATOM 515 CB PRO A 45 -14.655 -2.427 -2.768 1.00 0.00 C ATOM 516 CG PRO A 45 -14.779 -1.743 -4.086 1.00 0.00 C ATOM 517 CD PRO A 45 -15.079 -0.303 -3.783 1.00 0.00 C ATOM 0 HA PRO A 45 -14.524 -1.420 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.982 -3.283 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.619 -2.803 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.858 -1.836 -4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.574 -2.189 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.657 0.362 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.152 -0.114 -3.756 1.00 0.00 H new ATOM 525 N THR A 46 -12.228 -2.363 -0.675 1.00 0.00 N ATOM 526 CA THR A 46 -10.830 -2.589 -0.341 1.00 0.00 C ATOM 527 C THR A 46 -10.063 -3.140 -1.538 1.00 0.00 C ATOM 528 O THR A 46 -8.929 -2.740 -1.798 1.00 0.00 O ATOM 529 CB THR A 46 -10.711 -3.589 0.816 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.860 -3.482 1.669 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.451 -3.334 1.630 1.00 0.00 C ATOM 0 H THR A 46 -12.883 -2.902 -0.109 1.00 0.00 H new ATOM 0 HA THR A 46 -10.404 -1.629 -0.050 1.00 0.00 H new ATOM 0 HB THR A 46 -10.655 -4.593 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.781 -4.123 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.391 -4.057 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.576 -3.437 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.482 -2.325 2.042 1.00 0.00 H new ATOM 539 N SER A 47 -10.703 -4.044 -2.270 1.00 0.00 N ATOM 540 CA SER A 47 -10.082 -4.694 -3.415 1.00 0.00 C ATOM 541 C SER A 47 -9.633 -3.665 -4.448 1.00 0.00 C ATOM 542 O SER A 47 -8.530 -3.760 -4.991 1.00 0.00 O ATOM 543 CB SER A 47 -11.070 -5.674 -4.043 1.00 0.00 C ATOM 544 OG SER A 47 -11.649 -6.507 -3.054 1.00 0.00 O ATOM 0 H SER A 47 -11.660 -4.345 -2.088 1.00 0.00 H new ATOM 0 HA SER A 47 -9.200 -5.236 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.853 -5.124 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.560 -6.286 -4.787 1.00 0.00 H new ATOM 0 HG SER A 47 -12.280 -7.126 -3.477 1.00 0.00 H new ATOM 550 N SER A 48 -10.480 -2.674 -4.691 1.00 0.00 N ATOM 551 CA SER A 48 -10.167 -1.609 -5.615 1.00 0.00 C ATOM 552 C SER A 48 -8.959 -0.814 -5.138 1.00 0.00 C ATOM 553 O SER A 48 -8.047 -0.531 -5.915 1.00 0.00 O ATOM 554 CB SER A 48 -11.375 -0.697 -5.750 1.00 0.00 C ATOM 555 OG SER A 48 -12.496 -1.410 -6.246 1.00 0.00 O ATOM 0 H SER A 48 -11.397 -2.592 -4.252 1.00 0.00 H new ATOM 0 HA SER A 48 -9.922 -2.041 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.616 -0.261 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.139 0.129 -6.421 1.00 0.00 H new ATOM 0 HG SER A 48 -13.266 -0.807 -6.308 1.00 0.00 H new ATOM 561 N LYS A 49 -8.956 -0.481 -3.849 1.00 0.00 N ATOM 562 CA LYS A 49 -7.849 0.255 -3.247 1.00 0.00 C ATOM 563 C LYS A 49 -6.545 -0.505 -3.453 1.00 0.00 C ATOM 564 O LYS A 49 -5.550 0.048 -3.920 1.00 0.00 O ATOM 565 CB LYS A 49 -8.075 0.438 -1.743 1.00 0.00 C ATOM 566 CG LYS A 49 -9.434 1.001 -1.369 1.00 0.00 C ATOM 567 CD LYS A 49 -9.597 1.069 0.143 1.00 0.00 C ATOM 568 CE LYS A 49 -11.038 1.341 0.537 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.214 1.416 2.011 1.00 0.00 N ATOM 0 H LYS A 49 -9.710 -0.710 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.794 1.232 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.948 -0.526 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.303 1.100 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.549 1.997 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.220 0.378 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.268 0.130 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.955 1.853 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.365 2.278 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.677 0.554 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.213 1.603 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.927 0.514 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.625 2.184 2.392 1.00 0.00 H new ATOM 583 N VAL A 50 -6.583 -1.791 -3.125 1.00 0.00 N ATOM 584 CA VAL A 50 -5.400 -2.642 -3.188 1.00 0.00 C ATOM 585 C VAL A 50 -4.908 -2.793 -4.627 1.00 0.00 C ATOM 586 O VAL A 50 -3.710 -2.710 -4.898 1.00 0.00 O ATOM 587 CB VAL A 50 -5.682 -4.038 -2.587 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.460 -4.936 -2.687 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.131 -3.921 -1.139 1.00 0.00 C ATOM 0 H VAL A 50 -7.427 -2.270 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.622 -2.157 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.487 -4.491 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.689 -5.911 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.183 -5.058 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.631 -4.484 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.324 -4.915 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.349 -3.438 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.043 -3.326 -1.088 1.00 0.00 H new ATOM 599 N HIS A 51 -5.841 -2.996 -5.549 1.00 0.00 N ATOM 600 CA HIS A 51 -5.499 -3.167 -6.957 1.00 0.00 C ATOM 601 C HIS A 51 -4.876 -1.897 -7.525 1.00 0.00 C ATOM 602 O HIS A 51 -3.940 -1.958 -8.323 1.00 0.00 O ATOM 603 CB HIS A 51 -6.733 -3.554 -7.779 1.00 0.00 C ATOM 604 CG HIS A 51 -7.177 -4.973 -7.587 1.00 0.00 C ATOM 605 ND1 HIS A 51 -8.105 -5.587 -8.401 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.817 -5.902 -6.669 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.294 -6.827 -7.993 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.526 -7.042 -6.946 1.00 0.00 N ATOM 0 H HIS A 51 -6.840 -3.046 -5.348 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.769 -3.974 -7.022 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.555 -2.889 -7.515 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.518 -3.392 -8.835 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.104 -5.769 -5.868 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.965 -7.544 -8.442 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.468 -7.917 -6.424 1.00 0.00 H new ATOM 617 N PHE A 52 -5.388 -0.751 -7.100 1.00 0.00 N ATOM 618 CA PHE A 52 -4.898 0.529 -7.591 1.00 0.00 C ATOM 619 C PHE A 52 -3.493 0.804 -7.059 1.00 0.00 C ATOM 620 O PHE A 52 -2.617 1.252 -7.797 1.00 0.00 O ATOM 621 CB PHE A 52 -5.852 1.656 -7.188 1.00 0.00 C ATOM 622 CG PHE A 52 -5.590 2.950 -7.905 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.853 3.955 -7.305 1.00 0.00 C ATOM 624 CD2 PHE A 52 -6.083 3.157 -9.182 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.611 5.143 -7.966 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.844 4.343 -9.849 1.00 0.00 C ATOM 627 CZ PHE A 52 -5.107 5.338 -9.240 1.00 0.00 C ATOM 0 H PHE A 52 -6.142 -0.681 -6.417 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.852 0.486 -8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.877 1.342 -7.386 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.771 1.823 -6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.463 3.809 -6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.661 2.382 -9.663 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.034 5.920 -7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.233 4.491 -10.845 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.919 6.267 -9.758 1.00 0.00 H new ATOM 637 N LEU A 53 -3.279 0.518 -5.779 1.00 0.00 N ATOM 638 CA LEU A 53 -1.969 0.707 -5.160 1.00 0.00 C ATOM 639 C LEU A 53 -0.932 -0.212 -5.796 1.00 0.00 C ATOM 640 O LEU A 53 0.234 0.154 -5.941 1.00 0.00 O ATOM 641 CB LEU A 53 -2.049 0.448 -3.654 1.00 0.00 C ATOM 642 CG LEU A 53 -2.995 1.372 -2.884 1.00 0.00 C ATOM 643 CD1 LEU A 53 -3.004 1.013 -1.409 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.600 2.828 -3.080 1.00 0.00 C ATOM 0 H LEU A 53 -3.994 0.155 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.661 1.740 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.365 -0.583 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.049 0.544 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.003 1.237 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.682 1.680 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.339 -0.017 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.998 1.118 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.285 3.469 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.584 2.981 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.648 3.078 -4.140 1.00 0.00 H new ATOM 656 N LYS A 54 -1.365 -1.402 -6.181 1.00 0.00 N ATOM 657 CA LYS A 54 -0.505 -2.337 -6.895 1.00 0.00 C ATOM 658 C LYS A 54 -0.040 -1.728 -8.215 1.00 0.00 C ATOM 659 O LYS A 54 1.136 -1.811 -8.568 1.00 0.00 O ATOM 660 CB LYS A 54 -1.259 -3.653 -7.125 1.00 0.00 C ATOM 661 CG LYS A 54 -0.585 -4.634 -8.085 1.00 0.00 C ATOM 662 CD LYS A 54 -0.966 -4.375 -9.541 1.00 0.00 C ATOM 663 CE LYS A 54 -2.460 -4.551 -9.777 1.00 0.00 C ATOM 664 NZ LYS A 54 -2.846 -4.194 -11.166 1.00 0.00 N ATOM 0 H LYS A 54 -2.310 -1.746 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 54 0.382 -2.546 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.395 -4.147 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.253 -3.421 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.497 -4.560 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.863 -5.653 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.671 -3.363 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.414 -5.057 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.740 -5.585 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.015 -3.929 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.792 -4.574 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.859 -3.159 -11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.158 -4.598 -11.832 1.00 0.00 H new ATOM 678 N SER A 55 -0.966 -1.091 -8.923 1.00 0.00 N ATOM 679 CA SER A 55 -0.668 -0.470 -10.202 1.00 0.00 C ATOM 680 C SER A 55 0.221 0.761 -10.022 1.00 0.00 C ATOM 681 O SER A 55 0.796 1.273 -10.983 1.00 0.00 O ATOM 682 CB SER A 55 -1.973 -0.100 -10.899 1.00 0.00 C ATOM 683 OG SER A 55 -2.795 -1.245 -11.076 1.00 0.00 O ATOM 0 H SER A 55 -1.937 -0.992 -8.627 1.00 0.00 H new ATOM 0 HA SER A 55 -0.119 -1.180 -10.821 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.505 0.647 -10.310 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.758 0.351 -11.868 1.00 0.00 H new ATOM 0 HG SER A 55 -3.193 -1.498 -10.217 1.00 0.00 H new ATOM 689 N LYS A 56 0.337 1.226 -8.782 1.00 0.00 N ATOM 690 CA LYS A 56 1.239 2.315 -8.451 1.00 0.00 C ATOM 691 C LYS A 56 2.672 1.802 -8.344 1.00 0.00 C ATOM 692 O LYS A 56 3.617 2.582 -8.218 1.00 0.00 O ATOM 693 CB LYS A 56 0.829 2.960 -7.130 1.00 0.00 C ATOM 694 CG LYS A 56 -0.374 3.880 -7.227 1.00 0.00 C ATOM 695 CD LYS A 56 -0.691 4.500 -5.877 1.00 0.00 C ATOM 696 CE LYS A 56 -1.841 5.486 -5.967 1.00 0.00 C ATOM 697 NZ LYS A 56 -1.489 6.683 -6.777 1.00 0.00 N ATOM 0 H LYS A 56 -0.188 0.860 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 56 1.184 3.059 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.612 2.173 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.674 3.527 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.178 4.666 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.237 3.320 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.941 3.713 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.194 5.007 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.707 4.993 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.129 5.800 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.216 7.416 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.567 7.052 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.438 6.420 -7.782 1.00 0.00 H new ATOM 711 N GLY A 57 2.826 0.486 -8.394 1.00 0.00 N ATOM 712 CA GLY A 57 4.140 -0.111 -8.285 1.00 0.00 C ATOM 713 C GLY A 57 4.465 -0.513 -6.863 1.00 0.00 C ATOM 714 O GLY A 57 5.632 -0.671 -6.507 1.00 0.00 O ATOM 0 H GLY A 57 2.062 -0.180 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.194 -0.987 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.890 0.595 -8.642 1.00 0.00 H new ATOM 718 N LEU A 58 3.432 -0.674 -6.046 1.00 0.00 N ATOM 719 CA LEU A 58 3.611 -1.086 -4.663 1.00 0.00 C ATOM 720 C LEU A 58 3.665 -2.597 -4.542 1.00 0.00 C ATOM 721 O LEU A 58 3.131 -3.321 -5.382 1.00 0.00 O ATOM 722 CB LEU A 58 2.485 -0.562 -3.772 1.00 0.00 C ATOM 723 CG LEU A 58 2.752 0.780 -3.098 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.667 1.924 -4.095 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.785 0.987 -1.947 1.00 0.00 C ATOM 0 H LEU A 58 2.461 -0.525 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 58 4.558 -0.661 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.581 -0.473 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.282 -1.303 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 58 3.767 0.769 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.862 2.867 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.408 1.777 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.670 1.949 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.984 1.948 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.762 0.974 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.913 0.188 -1.216 1.00 0.00 H new ATOM 737 N SER A 59 4.315 -3.059 -3.493 1.00 0.00 N ATOM 738 CA SER A 59 4.352 -4.470 -3.176 1.00 0.00 C ATOM 739 C SER A 59 3.233 -4.792 -2.188 1.00 0.00 C ATOM 740 O SER A 59 2.703 -3.887 -1.539 1.00 0.00 O ATOM 741 CB SER A 59 5.714 -4.825 -2.581 1.00 0.00 C ATOM 742 OG SER A 59 6.770 -4.325 -3.389 1.00 0.00 O ATOM 0 H SER A 59 4.830 -2.469 -2.840 1.00 0.00 H new ATOM 0 HA SER A 59 4.205 -5.059 -4.081 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.794 -4.412 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.803 -5.907 -2.489 1.00 0.00 H new ATOM 0 HG SER A 59 7.623 -4.695 -3.079 1.00 0.00 H new ATOM 748 N ALA A 60 2.878 -6.068 -2.069 1.00 0.00 N ATOM 749 CA ALA A 60 1.807 -6.484 -1.169 1.00 0.00 C ATOM 750 C ALA A 60 2.110 -6.066 0.266 1.00 0.00 C ATOM 751 O ALA A 60 1.215 -5.696 1.025 1.00 0.00 O ATOM 752 CB ALA A 60 1.610 -7.991 -1.249 1.00 0.00 C ATOM 0 H ALA A 60 3.316 -6.832 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 60 0.887 -5.990 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.809 -8.290 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.347 -8.270 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.533 -8.494 -0.962 1.00 0.00 H new ATOM 758 N GLU A 61 3.385 -6.110 0.614 1.00 0.00 N ATOM 759 CA GLU A 61 3.841 -5.766 1.952 1.00 0.00 C ATOM 760 C GLU A 61 3.647 -4.274 2.217 1.00 0.00 C ATOM 761 O GLU A 61 3.254 -3.872 3.312 1.00 0.00 O ATOM 762 CB GLU A 61 5.319 -6.141 2.122 1.00 0.00 C ATOM 763 CG GLU A 61 5.626 -7.626 1.921 1.00 0.00 C ATOM 764 CD GLU A 61 5.419 -8.101 0.491 1.00 0.00 C ATOM 765 OE1 GLU A 61 4.984 -9.256 0.297 1.00 0.00 O ATOM 766 OE2 GLU A 61 5.666 -7.310 -0.448 1.00 0.00 O ATOM 0 H GLU A 61 4.134 -6.385 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 61 3.248 -6.328 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.911 -5.562 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.642 -5.849 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.658 -7.818 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.992 -8.213 2.586 1.00 0.00 H new ATOM 773 N GLU A 62 3.905 -3.467 1.194 1.00 0.00 N ATOM 774 CA GLU A 62 3.769 -2.017 1.293 1.00 0.00 C ATOM 775 C GLU A 62 2.309 -1.645 1.500 1.00 0.00 C ATOM 776 O GLU A 62 1.975 -0.810 2.338 1.00 0.00 O ATOM 777 CB GLU A 62 4.275 -1.354 0.014 1.00 0.00 C ATOM 778 CG GLU A 62 5.611 -1.890 -0.457 1.00 0.00 C ATOM 779 CD GLU A 62 6.771 -1.455 0.407 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.909 -1.967 1.537 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.571 -0.626 -0.062 1.00 0.00 O ATOM 0 H GLU A 62 4.212 -3.796 0.279 1.00 0.00 H new ATOM 0 HA GLU A 62 4.359 -1.670 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.537 -1.496 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.362 -0.280 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.571 -2.979 -0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.786 -1.559 -1.481 1.00 0.00 H new ATOM 788 N ILE A 63 1.450 -2.284 0.718 1.00 0.00 N ATOM 789 CA ILE A 63 0.015 -2.064 0.800 1.00 0.00 C ATOM 790 C ILE A 63 -0.506 -2.462 2.180 1.00 0.00 C ATOM 791 O ILE A 63 -1.289 -1.737 2.795 1.00 0.00 O ATOM 792 CB ILE A 63 -0.718 -2.865 -0.297 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.184 -2.475 -1.679 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.218 -2.629 -0.222 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.702 -3.346 -2.802 1.00 0.00 C ATOM 0 H ILE A 63 1.728 -2.966 0.012 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.180 -1.003 0.645 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.531 -3.927 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.452 -1.438 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.905 -2.526 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.716 -3.203 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.588 -2.947 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.427 -1.568 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.280 -3.008 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.411 -4.381 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.789 -3.277 -2.844 1.00 0.00 H new ATOM 807 N CYS A 64 -0.035 -3.607 2.664 1.00 0.00 N ATOM 808 CA CYS A 64 -0.379 -4.094 3.996 1.00 0.00 C ATOM 809 C CYS A 64 0.004 -3.069 5.063 1.00 0.00 C ATOM 810 O CYS A 64 -0.771 -2.787 5.982 1.00 0.00 O ATOM 811 CB CYS A 64 0.337 -5.423 4.257 1.00 0.00 C ATOM 812 SG CYS A 64 0.114 -6.089 5.922 1.00 0.00 S ATOM 0 H CYS A 64 0.593 -4.222 2.147 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.457 -4.249 4.046 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.018 -6.159 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.403 -5.287 4.075 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.092 -5.833 6.334 1.00 0.00 H new ATOM 818 N GLU A 65 1.198 -2.506 4.926 1.00 0.00 N ATOM 819 CA GLU A 65 1.694 -1.520 5.864 1.00 0.00 C ATOM 820 C GLU A 65 0.876 -0.232 5.782 1.00 0.00 C ATOM 821 O GLU A 65 0.445 0.303 6.804 1.00 0.00 O ATOM 822 CB GLU A 65 3.168 -1.245 5.578 1.00 0.00 C ATOM 823 CG GLU A 65 3.729 -0.063 6.337 1.00 0.00 C ATOM 824 CD GLU A 65 5.222 0.100 6.144 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.802 -0.614 5.300 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.831 0.942 6.844 1.00 0.00 O ATOM 0 H GLU A 65 1.842 -2.721 4.165 1.00 0.00 H new ATOM 0 HA GLU A 65 1.594 -1.910 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.748 -2.133 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.295 -1.071 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.223 0.846 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.515 -0.184 7.399 1.00 0.00 H new ATOM 833 N ALA A 66 0.647 0.240 4.563 1.00 0.00 N ATOM 834 CA ALA A 66 -0.109 1.466 4.339 1.00 0.00 C ATOM 835 C ALA A 66 -1.497 1.377 4.951 1.00 0.00 C ATOM 836 O ALA A 66 -1.925 2.288 5.658 1.00 0.00 O ATOM 837 CB ALA A 66 -0.214 1.757 2.852 1.00 0.00 C ATOM 0 H ALA A 66 0.976 -0.211 3.709 1.00 0.00 H new ATOM 0 HA ALA A 66 0.425 2.282 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.781 2.675 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.785 1.874 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.722 0.931 2.354 1.00 0.00 H new ATOM 843 N PHE A 67 -2.186 0.273 4.689 1.00 0.00 N ATOM 844 CA PHE A 67 -3.516 0.055 5.237 1.00 0.00 C ATOM 845 C PHE A 67 -3.501 0.130 6.756 1.00 0.00 C ATOM 846 O PHE A 67 -4.355 0.771 7.367 1.00 0.00 O ATOM 847 CB PHE A 67 -4.065 -1.299 4.788 1.00 0.00 C ATOM 848 CG PHE A 67 -4.916 -1.219 3.555 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.373 -1.423 2.301 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.267 -0.935 3.659 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.164 -1.349 1.170 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.061 -0.859 2.535 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.509 -1.064 1.288 1.00 0.00 C ATOM 0 H PHE A 67 -1.844 -0.486 4.099 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.166 0.845 4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.232 -1.977 4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.652 -1.731 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.320 -1.642 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.704 -0.771 4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.730 -1.514 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.114 -0.639 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.128 -1.002 0.405 1.00 0.00 H new ATOM 863 N THR A 68 -2.519 -0.503 7.366 1.00 0.00 N ATOM 864 CA THR A 68 -2.436 -0.528 8.812 1.00 0.00 C ATOM 865 C THR A 68 -2.195 0.878 9.362 1.00 0.00 C ATOM 866 O THR A 68 -2.685 1.232 10.436 1.00 0.00 O ATOM 867 CB THR A 68 -1.333 -1.486 9.287 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.468 -2.752 8.618 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.418 -1.699 10.789 1.00 0.00 C ATOM 0 H THR A 68 -1.771 -1.004 6.886 1.00 0.00 H new ATOM 0 HA THR A 68 -3.389 -0.893 9.195 1.00 0.00 H new ATOM 0 HB THR A 68 -0.366 -1.044 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.136 -2.674 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.628 -2.381 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.298 -0.743 11.299 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.388 -2.126 11.042 1.00 0.00 H new ATOM 877 N LYS A 69 -1.469 1.688 8.604 1.00 0.00 N ATOM 878 CA LYS A 69 -1.186 3.059 9.008 1.00 0.00 C ATOM 879 C LYS A 69 -2.429 3.942 8.923 1.00 0.00 C ATOM 880 O LYS A 69 -2.584 4.875 9.712 1.00 0.00 O ATOM 881 CB LYS A 69 -0.071 3.654 8.150 1.00 0.00 C ATOM 882 CG LYS A 69 1.255 2.926 8.292 1.00 0.00 C ATOM 883 CD LYS A 69 2.418 3.896 8.441 1.00 0.00 C ATOM 884 CE LYS A 69 2.590 4.760 7.206 1.00 0.00 C ATOM 885 NZ LYS A 69 3.754 5.679 7.321 1.00 0.00 N ATOM 0 H LYS A 69 -1.065 1.420 7.706 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.862 3.028 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.378 3.634 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.067 4.701 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.217 2.268 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.418 2.294 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.252 4.533 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.336 3.338 8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.719 4.121 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.684 5.343 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.833 6.249 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.621 6.308 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.624 5.123 7.450 1.00 0.00 H new ATOM 899 N VAL A 70 -3.316 3.647 7.978 1.00 0.00 N ATOM 900 CA VAL A 70 -4.511 4.468 7.778 1.00 0.00 C ATOM 901 C VAL A 70 -5.621 4.089 8.761 1.00 0.00 C ATOM 902 O VAL A 70 -6.678 4.726 8.799 1.00 0.00 O ATOM 903 CB VAL A 70 -5.045 4.376 6.327 1.00 0.00 C ATOM 904 CG1 VAL A 70 -3.932 4.665 5.334 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.685 3.022 6.041 1.00 0.00 C ATOM 0 H VAL A 70 -3.234 2.853 7.342 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.210 5.499 7.965 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.823 5.131 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.323 4.596 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.543 5.668 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.131 3.938 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.046 3.000 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.946 2.233 6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.521 2.863 6.722 1.00 0.00 H new ATOM 915 N GLY A 71 -5.371 3.064 9.564 1.00 0.00 N ATOM 916 CA GLY A 71 -6.350 2.638 10.544 1.00 0.00 C ATOM 917 C GLY A 71 -7.137 1.432 10.081 1.00 0.00 C ATOM 918 O GLY A 71 -8.203 1.127 10.618 1.00 0.00 O ATOM 0 H GLY A 71 -4.508 2.520 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.845 2.402 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.036 3.460 10.750 1.00 0.00 H new ATOM 922 N GLN A 72 -6.615 0.747 9.079 1.00 0.00 N ATOM 923 CA GLN A 72 -7.257 -0.439 8.543 1.00 0.00 C ATOM 924 C GLN A 72 -6.262 -1.593 8.537 1.00 0.00 C ATOM 925 O GLN A 72 -5.523 -1.781 7.577 1.00 0.00 O ATOM 926 CB GLN A 72 -7.755 -0.152 7.121 1.00 0.00 C ATOM 927 CG GLN A 72 -8.349 -1.351 6.401 1.00 0.00 C ATOM 928 CD GLN A 72 -9.668 -1.799 6.981 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.716 -2.654 7.867 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.746 -1.222 6.482 1.00 0.00 N ATOM 0 H GLN A 72 -5.740 0.995 8.617 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.110 -0.712 9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.507 0.636 7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.924 0.234 6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.488 -1.103 5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.641 -2.179 6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.655 -0.519 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.670 -1.480 6.830 1.00 0.00 H new ATOM 939 N PRO A 73 -6.220 -2.381 9.613 1.00 0.00 N ATOM 940 CA PRO A 73 -5.252 -3.460 9.733 1.00 0.00 C ATOM 941 C PRO A 73 -5.581 -4.633 8.821 1.00 0.00 C ATOM 942 O PRO A 73 -6.458 -5.453 9.115 1.00 0.00 O ATOM 943 CB PRO A 73 -5.337 -3.868 11.199 1.00 0.00 C ATOM 944 CG PRO A 73 -6.706 -3.469 11.633 1.00 0.00 C ATOM 945 CD PRO A 73 -7.097 -2.280 10.793 1.00 0.00 C ATOM 0 HA PRO A 73 -4.253 -3.144 9.434 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.182 -4.940 11.320 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.573 -3.366 11.793 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.410 -4.289 11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.717 -3.215 12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.150 -2.316 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.942 -1.343 11.328 1.00 0.00 H new ATOM 953 N LYS A 74 -4.904 -4.676 7.694 1.00 0.00 N ATOM 954 CA LYS A 74 -5.034 -5.781 6.768 1.00 0.00 C ATOM 955 C LYS A 74 -3.780 -6.623 6.820 1.00 0.00 C ATOM 956 O LYS A 74 -2.672 -6.091 6.870 1.00 0.00 O ATOM 957 CB LYS A 74 -5.275 -5.283 5.341 1.00 0.00 C ATOM 958 CG LYS A 74 -6.638 -4.642 5.136 1.00 0.00 C ATOM 959 CD LYS A 74 -7.761 -5.614 5.464 1.00 0.00 C ATOM 960 CE LYS A 74 -9.126 -5.008 5.190 1.00 0.00 C ATOM 961 NZ LYS A 74 -10.227 -5.916 5.607 1.00 0.00 N ATOM 0 H LYS A 74 -4.252 -3.951 7.395 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.895 -6.382 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.501 -4.560 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.171 -6.121 4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.725 -3.757 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.733 -4.308 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.641 -6.522 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.696 -5.905 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.216 -4.060 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.219 -4.788 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.143 -5.467 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.156 -6.811 5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.153 -6.106 6.627 1.00 0.00 H new ATOM 975 N THR A 75 -3.951 -7.929 6.820 1.00 0.00 N ATOM 976 CA THR A 75 -2.821 -8.825 6.888 1.00 0.00 C ATOM 977 C THR A 75 -2.187 -8.983 5.516 1.00 0.00 C ATOM 978 O THR A 75 -2.821 -8.712 4.491 1.00 0.00 O ATOM 979 CB THR A 75 -3.230 -10.206 7.438 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.243 -10.788 6.611 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.741 -10.089 8.866 1.00 0.00 C ATOM 0 H THR A 75 -4.860 -8.390 6.774 1.00 0.00 H new ATOM 0 HA THR A 75 -2.094 -8.388 7.572 1.00 0.00 H new ATOM 0 HB THR A 75 -2.348 -10.847 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.493 -11.665 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.024 -11.076 9.233 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.956 -9.677 9.501 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.610 -9.431 8.889 1.00 0.00 H new ATOM 989 N LEU A 76 -0.937 -9.413 5.501 1.00 0.00 N ATOM 990 CA LEU A 76 -0.216 -9.631 4.260 1.00 0.00 C ATOM 991 C LEU A 76 -0.921 -10.700 3.434 1.00 0.00 C ATOM 992 O LEU A 76 -0.945 -10.642 2.205 1.00 0.00 O ATOM 993 CB LEU A 76 1.226 -10.046 4.570 1.00 0.00 C ATOM 994 CG LEU A 76 2.118 -10.276 3.353 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.194 -9.019 2.501 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.511 -10.705 3.791 1.00 0.00 C ATOM 0 H LEU A 76 -0.397 -9.619 6.342 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.196 -8.707 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.682 -9.276 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.203 -10.962 5.161 1.00 0.00 H new ATOM 0 HG LEU A 76 1.681 -11.073 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.834 -9.202 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.194 -8.749 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.608 -8.203 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.136 -10.865 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.953 -9.926 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.444 -11.631 4.362 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.518 -11.655 4.133 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.270 -12.731 3.504 1.00 0.00 C ATOM 1010 C ASN A 77 -3.448 -12.179 2.708 1.00 0.00 C ATOM 1011 O ASN A 77 -3.708 -12.615 1.582 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.774 -13.699 4.572 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.442 -14.928 3.984 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.655 -14.952 3.775 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -2.656 -15.957 3.717 1.00 0.00 N ATOM 0 H ASN A 77 -1.495 -11.706 5.151 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.609 -13.258 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.937 -14.010 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.481 -13.182 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.050 -16.811 3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.655 -15.897 3.905 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.156 -11.218 3.299 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.289 -10.580 2.632 1.00 0.00 C ATOM 1024 C GLU A 78 -4.847 -9.928 1.334 1.00 0.00 C ATOM 1025 O GLU A 78 -5.428 -10.166 0.279 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.914 -9.506 3.528 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.611 -10.048 4.758 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.843 -10.854 4.419 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -7.743 -12.095 4.338 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.921 -10.250 4.228 1.00 0.00 O ATOM 0 H GLU A 78 -3.965 -10.865 4.237 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.025 -11.356 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.134 -8.813 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.632 -8.933 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.916 -10.672 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.891 -9.219 5.408 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.782 -9.142 1.420 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.318 -8.353 0.290 1.00 0.00 C ATOM 1039 C ILE A 79 -2.893 -9.248 -0.870 1.00 0.00 C ATOM 1040 O ILE A 79 -3.249 -8.992 -2.020 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.146 -7.430 0.691 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.526 -6.571 1.906 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.742 -6.543 -0.478 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.761 -5.715 1.701 1.00 0.00 C ATOM 0 H ILE A 79 -3.222 -9.035 2.266 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.155 -7.733 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.296 -8.055 0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.689 -7.225 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.686 -5.923 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.915 -5.899 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.431 -7.166 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.590 -5.928 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.960 -5.140 2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.597 -5.033 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.616 -6.356 1.483 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.157 -10.309 -0.562 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.687 -11.233 -1.589 1.00 0.00 C ATOM 1058 C LYS A 80 -2.857 -11.929 -2.271 1.00 0.00 C ATOM 1059 O LYS A 80 -2.842 -12.146 -3.481 1.00 0.00 O ATOM 1060 CB LYS A 80 -0.732 -12.264 -0.988 1.00 0.00 C ATOM 1061 CG LYS A 80 0.524 -11.639 -0.415 1.00 0.00 C ATOM 1062 CD LYS A 80 1.571 -12.684 -0.061 1.00 0.00 C ATOM 1063 CE LYS A 80 2.882 -12.036 0.358 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.567 -11.360 -0.774 1.00 0.00 N ATOM 0 H LYS A 80 -1.873 -10.551 0.387 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.148 -10.656 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.248 -12.816 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.455 -12.986 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.942 -10.938 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.269 -11.065 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.200 -13.314 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.743 -13.334 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.689 -11.310 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.542 -12.796 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.859 -10.405 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.406 -11.910 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.916 -11.291 -1.582 1.00 0.00 H new ATOM 1078 N ARG A 81 -3.869 -12.274 -1.494 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.070 -12.899 -2.040 1.00 0.00 C ATOM 1080 C ARG A 81 -5.842 -11.916 -2.913 1.00 0.00 C ATOM 1081 O ARG A 81 -6.296 -12.263 -4.001 1.00 0.00 O ATOM 1082 CB ARG A 81 -5.971 -13.423 -0.918 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.340 -13.889 -1.398 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.231 -14.968 -2.465 1.00 0.00 C ATOM 1085 NE ARG A 81 -8.546 -15.394 -2.942 1.00 0.00 N ATOM 1086 CZ ARG A 81 -8.849 -15.612 -4.225 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -7.945 -15.414 -5.181 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -10.068 -16.017 -4.555 1.00 0.00 N ATOM 0 H ARG A 81 -3.887 -12.134 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.756 -13.742 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.469 -14.252 -0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.105 -12.637 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.910 -14.272 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.893 -13.039 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.644 -14.592 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.695 -15.827 -2.060 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.281 -15.534 -2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.008 -15.092 -4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.189 -15.584 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.771 -16.161 -3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.302 -16.184 -5.534 1.00 0.00 H new ATOM 1102 N ILE A 82 -5.988 -10.695 -2.429 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.700 -9.659 -3.165 1.00 0.00 C ATOM 1104 C ILE A 82 -6.001 -9.354 -4.490 1.00 0.00 C ATOM 1105 O ILE A 82 -6.651 -9.125 -5.510 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.820 -8.371 -2.320 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.648 -8.647 -1.060 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.449 -7.246 -3.131 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.563 -7.553 -0.013 1.00 0.00 C ATOM 0 H ILE A 82 -5.622 -10.394 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.702 -10.030 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.819 -8.057 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.691 -8.782 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.315 -9.586 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.523 -6.350 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.830 -7.036 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.445 -7.545 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.176 -7.824 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.527 -7.432 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.925 -6.616 -0.436 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.674 -9.368 -4.478 1.00 0.00 N ATOM 1122 CA LEU A 83 -3.900 -9.096 -5.684 1.00 0.00 C ATOM 1123 C LEU A 83 -3.860 -10.305 -6.607 1.00 0.00 C ATOM 1124 O LEU A 83 -3.702 -10.162 -7.822 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.474 -8.682 -5.322 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.347 -7.323 -4.637 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -0.898 -7.037 -4.286 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.911 -6.229 -5.528 1.00 0.00 C ATOM 0 H LEU A 83 -4.112 -9.564 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.393 -8.279 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.047 -9.442 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.874 -8.670 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.923 -7.344 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.827 -6.065 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.528 -7.809 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.297 -7.032 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.814 -5.266 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.361 -6.206 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.964 -6.429 -5.728 1.00 0.00 H new ATOM 1140 N SER A 84 -4.013 -11.489 -6.044 1.00 0.00 N ATOM 1141 CA SER A 84 -3.960 -12.708 -6.830 1.00 0.00 C ATOM 1142 C SER A 84 -5.293 -13.447 -6.769 1.00 0.00 C ATOM 1143 O SER A 84 -6.191 -13.117 -7.576 1.00 0.00 O ATOM 1144 CB SER A 84 -2.825 -13.603 -6.333 1.00 0.00 C ATOM 1145 OG SER A 84 -1.602 -12.885 -6.282 1.00 0.00 O ATOM 1146 OXT SER A 84 -5.441 -14.359 -5.928 1.00 0.00 O ATOM 0 H SER A 84 -4.175 -11.633 -5.047 1.00 0.00 H new ATOM 0 HA SER A 84 -3.768 -12.444 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.067 -13.989 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.719 -14.464 -6.993 1.00 0.00 H new ATOM 0 HG SER A 84 -1.538 -12.408 -5.428 1.00 0.00 H new