USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 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 44 THR OG1 : rot 180:sc=-0.00209 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -167:sc= 0.495! (180deg=-0.824!) 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= -0.0382 K(o=-0.038,f=-0.74) USER MOD Single : A 39 SER OG : rot 180:sc= 0.00187 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00305 USER MOD Single : A 48 SER OG : rot 180:sc= -0.764 USER MOD Single : A 51 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -20:sc= 0.121 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 48:sc= 1.23 USER MOD Single : A 68 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -153:sc= 1.29 (180deg=1.23) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 9:sc= 0.911 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.313 6.296 0.563 1.00 0.00 N ATOM 201 CA LYS A 27 7.558 7.213 -0.276 1.00 0.00 C ATOM 202 C LYS A 27 6.372 6.507 -0.926 1.00 0.00 C ATOM 203 O LYS A 27 5.315 7.108 -1.107 1.00 0.00 O ATOM 204 CB LYS A 27 8.445 7.890 -1.335 1.00 0.00 C ATOM 205 CG LYS A 27 8.673 7.096 -2.614 1.00 0.00 C ATOM 206 CD LYS A 27 9.258 8.000 -3.691 1.00 0.00 C ATOM 207 CE LYS A 27 9.477 7.274 -5.009 1.00 0.00 C ATOM 208 NZ LYS A 27 10.599 6.304 -4.938 1.00 0.00 N ATOM 0 HA LYS A 27 7.174 8.001 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.996 8.848 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.414 8.105 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.349 6.264 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.732 6.668 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.589 8.845 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.207 8.407 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.563 6.750 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.679 8.003 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.710 5.834 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.477 6.806 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.396 5.592 -4.208 1.00 0.00 H new ATOM 222 N ARG A 28 6.533 5.226 -1.253 1.00 0.00 N ATOM 223 CA ARG A 28 5.442 4.456 -1.839 1.00 0.00 C ATOM 224 C ARG A 28 4.329 4.255 -0.822 1.00 0.00 C ATOM 225 O ARG A 28 3.156 4.485 -1.118 1.00 0.00 O ATOM 226 CB ARG A 28 5.922 3.098 -2.343 1.00 0.00 C ATOM 227 CG ARG A 28 6.827 3.173 -3.557 1.00 0.00 C ATOM 228 CD ARG A 28 7.143 1.787 -4.094 1.00 0.00 C ATOM 229 NE ARG A 28 7.705 0.917 -3.061 1.00 0.00 N ATOM 230 CZ ARG A 28 8.663 0.019 -3.277 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.202 -0.119 -4.484 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.083 -0.735 -2.271 1.00 0.00 N ATOM 0 H ARG A 28 7.400 4.705 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 28 5.062 5.023 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.453 2.591 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.054 2.486 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.347 3.767 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.753 3.683 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.234 1.336 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.848 1.870 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 28 7.339 1.004 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.882 0.466 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.936 -0.810 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.672 -0.623 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.817 -1.427 -2.424 1.00 0.00 H new ATOM 246 N VAL A 29 4.708 3.835 0.380 1.00 0.00 N ATOM 247 CA VAL A 29 3.752 3.669 1.463 1.00 0.00 C ATOM 248 C VAL A 29 3.093 5.006 1.780 1.00 0.00 C ATOM 249 O VAL A 29 1.890 5.075 2.001 1.00 0.00 O ATOM 250 CB VAL A 29 4.427 3.102 2.732 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.435 3.011 3.885 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.035 1.737 2.449 1.00 0.00 C ATOM 0 H VAL A 29 5.670 3.604 0.627 1.00 0.00 H new ATOM 0 HA VAL A 29 2.995 2.955 1.138 1.00 0.00 H new ATOM 0 HB VAL A 29 5.224 3.786 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.936 2.609 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.047 4.004 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.611 2.355 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.506 1.354 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.252 1.050 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.783 1.828 1.662 1.00 0.00 H new ATOM 262 N SER A 30 3.888 6.069 1.756 1.00 0.00 N ATOM 263 CA SER A 30 3.387 7.416 1.997 1.00 0.00 C ATOM 264 C SER A 30 2.296 7.770 0.987 1.00 0.00 C ATOM 265 O SER A 30 1.239 8.291 1.356 1.00 0.00 O ATOM 266 CB SER A 30 4.538 8.424 1.906 1.00 0.00 C ATOM 267 OG SER A 30 4.104 9.740 2.201 1.00 0.00 O ATOM 0 H SER A 30 4.890 6.023 1.571 1.00 0.00 H new ATOM 0 HA SER A 30 2.957 7.456 2.998 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.329 8.137 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.967 8.398 0.904 1.00 0.00 H new ATOM 0 HG SER A 30 4.863 10.357 2.135 1.00 0.00 H new ATOM 273 N ASN A 31 2.554 7.464 -0.283 1.00 0.00 N ATOM 274 CA ASN A 31 1.593 7.715 -1.352 1.00 0.00 C ATOM 275 C ASN A 31 0.321 6.907 -1.134 1.00 0.00 C ATOM 276 O ASN A 31 -0.782 7.379 -1.405 1.00 0.00 O ATOM 277 CB ASN A 31 2.190 7.352 -2.716 1.00 0.00 C ATOM 278 CG ASN A 31 3.342 8.248 -3.127 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.407 9.416 -2.750 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.261 7.704 -3.909 1.00 0.00 N ATOM 0 H ASN A 31 3.427 7.039 -0.597 1.00 0.00 H new ATOM 0 HA ASN A 31 1.352 8.778 -1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.535 6.318 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.408 7.408 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.059 8.258 -4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.171 6.731 -4.200 1.00 0.00 H new ATOM 287 N ALA A 32 0.485 5.687 -0.647 1.00 0.00 N ATOM 288 CA ALA A 32 -0.640 4.801 -0.402 1.00 0.00 C ATOM 289 C ALA A 32 -1.459 5.261 0.795 1.00 0.00 C ATOM 290 O ALA A 32 -2.682 5.312 0.725 1.00 0.00 O ATOM 291 CB ALA A 32 -0.149 3.380 -0.196 1.00 0.00 C ATOM 0 H ALA A 32 1.393 5.287 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.290 4.829 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.000 2.724 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.382 3.046 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.524 3.348 0.661 1.00 0.00 H new ATOM 297 N VAL A 33 -0.781 5.622 1.877 1.00 0.00 N ATOM 298 CA VAL A 33 -1.457 6.055 3.095 1.00 0.00 C ATOM 299 C VAL A 33 -2.295 7.303 2.831 1.00 0.00 C ATOM 300 O VAL A 33 -3.431 7.409 3.290 1.00 0.00 O ATOM 301 CB VAL A 33 -0.450 6.331 4.238 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.153 6.828 5.494 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.345 5.078 4.556 1.00 0.00 C ATOM 0 H VAL A 33 0.237 5.624 1.937 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.113 5.243 3.408 1.00 0.00 H new ATOM 0 HB VAL A 33 0.229 7.113 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.415 7.011 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.684 7.754 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.864 6.075 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.049 5.288 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.335 4.285 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.893 4.760 3.669 1.00 0.00 H new ATOM 313 N GLU A 34 -1.739 8.233 2.065 1.00 0.00 N ATOM 314 CA GLU A 34 -2.448 9.463 1.745 1.00 0.00 C ATOM 315 C GLU A 34 -3.635 9.179 0.820 1.00 0.00 C ATOM 316 O GLU A 34 -4.698 9.783 0.957 1.00 0.00 O ATOM 317 CB GLU A 34 -1.491 10.486 1.116 1.00 0.00 C ATOM 318 CG GLU A 34 -1.102 10.187 -0.319 1.00 0.00 C ATOM 319 CD GLU A 34 -0.207 11.250 -0.911 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.663 11.990 -1.807 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.959 11.354 -0.491 1.00 0.00 O ATOM 0 H GLU A 34 -0.807 8.160 1.657 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.839 9.888 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.956 11.471 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.586 10.537 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.593 9.224 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.004 10.097 -0.925 1.00 0.00 H new ATOM 328 N PHE A 35 -3.453 8.245 -0.110 1.00 0.00 N ATOM 329 CA PHE A 35 -4.502 7.888 -1.062 1.00 0.00 C ATOM 330 C PHE A 35 -5.621 7.118 -0.372 1.00 0.00 C ATOM 331 O PHE A 35 -6.800 7.381 -0.596 1.00 0.00 O ATOM 332 CB PHE A 35 -3.902 7.056 -2.203 1.00 0.00 C ATOM 333 CG PHE A 35 -4.909 6.536 -3.193 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.283 5.201 -3.183 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.476 7.379 -4.136 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.206 4.718 -4.092 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.399 6.901 -5.047 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.765 5.570 -5.025 1.00 0.00 C ATOM 0 H PHE A 35 -2.586 7.720 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.929 8.803 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.170 7.665 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.363 6.211 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.848 4.530 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.193 8.421 -4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.490 3.676 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.834 7.569 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.487 5.196 -5.736 1.00 0.00 H new ATOM 348 N LEU A 36 -5.241 6.187 0.488 1.00 0.00 N ATOM 349 CA LEU A 36 -6.196 5.365 1.217 1.00 0.00 C ATOM 350 C LEU A 36 -7.038 6.200 2.175 1.00 0.00 C ATOM 351 O LEU A 36 -8.190 5.871 2.447 1.00 0.00 O ATOM 352 CB LEU A 36 -5.465 4.269 1.980 1.00 0.00 C ATOM 353 CG LEU A 36 -4.841 3.172 1.118 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.047 2.209 1.983 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.915 2.429 0.340 1.00 0.00 C ATOM 0 H LEU A 36 -4.265 5.979 0.701 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.870 4.912 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.678 4.729 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.165 3.806 2.676 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.161 3.637 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.608 1.433 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.254 2.751 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.708 1.750 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.452 1.652 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.619 1.974 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.445 3.128 -0.307 1.00 0.00 H new ATOM 367 N LEU A 37 -6.460 7.281 2.684 1.00 0.00 N ATOM 368 CA LEU A 37 -7.137 8.115 3.668 1.00 0.00 C ATOM 369 C LEU A 37 -8.041 9.148 3.012 1.00 0.00 C ATOM 370 O LEU A 37 -8.599 10.014 3.690 1.00 0.00 O ATOM 371 CB LEU A 37 -6.118 8.821 4.565 1.00 0.00 C ATOM 372 CG LEU A 37 -5.733 8.056 5.828 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.635 8.787 6.581 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.958 7.871 6.713 1.00 0.00 C ATOM 0 H LEU A 37 -5.525 7.600 2.432 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.760 7.456 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.216 9.012 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.522 9.791 4.855 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.352 7.075 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.374 8.226 7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.756 8.880 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.986 9.780 6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.677 7.324 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.357 8.847 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.718 7.309 6.170 1.00 0.00 H new ATOM 386 N ASP A 38 -8.200 9.059 1.706 1.00 0.00 N ATOM 387 CA ASP A 38 -9.101 9.956 1.005 1.00 0.00 C ATOM 388 C ASP A 38 -10.534 9.466 1.163 1.00 0.00 C ATOM 389 O ASP A 38 -10.802 8.273 1.034 1.00 0.00 O ATOM 390 CB ASP A 38 -8.733 10.039 -0.477 1.00 0.00 C ATOM 391 CG ASP A 38 -9.453 11.162 -1.203 1.00 0.00 C ATOM 392 OD1 ASP A 38 -8.792 12.163 -1.562 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.673 11.050 -1.431 1.00 0.00 O ATOM 0 H ASP A 38 -7.722 8.381 1.112 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.011 10.953 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.657 10.184 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.971 9.091 -0.959 1.00 0.00 H new ATOM 398 N SER A 39 -11.448 10.386 1.440 1.00 0.00 N ATOM 399 CA SER A 39 -12.845 10.043 1.683 1.00 0.00 C ATOM 400 C SER A 39 -13.449 9.285 0.501 1.00 0.00 C ATOM 401 O SER A 39 -14.241 8.360 0.682 1.00 0.00 O ATOM 402 CB SER A 39 -13.643 11.316 1.966 1.00 0.00 C ATOM 403 OG SER A 39 -13.378 12.310 0.985 1.00 0.00 O ATOM 0 H SER A 39 -11.246 11.384 1.503 1.00 0.00 H new ATOM 0 HA SER A 39 -12.892 9.385 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.709 11.087 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.388 11.698 2.954 1.00 0.00 H new ATOM 0 HG SER A 39 -13.900 13.115 1.185 1.00 0.00 H new ATOM 409 N ARG A 40 -13.053 9.669 -0.703 1.00 0.00 N ATOM 410 CA ARG A 40 -13.548 9.032 -1.915 1.00 0.00 C ATOM 411 C ARG A 40 -13.021 7.609 -2.015 1.00 0.00 C ATOM 412 O ARG A 40 -13.734 6.690 -2.421 1.00 0.00 O ATOM 413 CB ARG A 40 -13.108 9.826 -3.141 1.00 0.00 C ATOM 414 CG ARG A 40 -13.628 11.252 -3.171 1.00 0.00 C ATOM 415 CD ARG A 40 -12.853 12.090 -4.170 1.00 0.00 C ATOM 416 NE ARG A 40 -11.438 12.175 -3.810 1.00 0.00 N ATOM 417 CZ ARG A 40 -10.484 12.628 -4.619 1.00 0.00 C ATOM 418 NH1 ARG A 40 -10.776 13.019 -5.854 1.00 0.00 N ATOM 419 NH2 ARG A 40 -9.233 12.688 -4.186 1.00 0.00 N ATOM 0 H ARG A 40 -12.386 10.423 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.637 9.007 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.019 9.846 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.447 9.307 -4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.686 11.252 -3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.546 11.694 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.952 11.656 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.279 13.092 -4.215 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.165 11.867 -2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.738 12.973 -6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.038 13.365 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.007 12.388 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.497 13.034 -4.801 1.00 0.00 H new ATOM 433 N VAL A 41 -11.768 7.437 -1.627 1.00 0.00 N ATOM 434 CA VAL A 41 -11.098 6.153 -1.732 1.00 0.00 C ATOM 435 C VAL A 41 -11.519 5.218 -0.607 1.00 0.00 C ATOM 436 O VAL A 41 -11.450 4.006 -0.742 1.00 0.00 O ATOM 437 CB VAL A 41 -9.566 6.320 -1.718 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.866 4.972 -1.844 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.131 7.255 -2.835 1.00 0.00 C ATOM 0 H VAL A 41 -11.190 8.179 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.395 5.714 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.278 6.757 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.786 5.120 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.154 4.333 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.156 4.498 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.047 7.366 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.436 6.841 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.598 8.230 -2.696 1.00 0.00 H new ATOM 449 N ARG A 42 -11.954 5.775 0.506 1.00 0.00 N ATOM 450 CA ARG A 42 -12.400 4.953 1.626 1.00 0.00 C ATOM 451 C ARG A 42 -13.749 4.289 1.349 1.00 0.00 C ATOM 452 O ARG A 42 -13.993 3.167 1.788 1.00 0.00 O ATOM 453 CB ARG A 42 -12.483 5.781 2.905 1.00 0.00 C ATOM 454 CG ARG A 42 -11.137 6.294 3.377 1.00 0.00 C ATOM 455 CD ARG A 42 -11.256 7.062 4.678 1.00 0.00 C ATOM 456 NE ARG A 42 -11.695 6.210 5.783 1.00 0.00 N ATOM 457 CZ ARG A 42 -11.820 6.629 7.039 1.00 0.00 C ATOM 458 NH1 ARG A 42 -11.562 7.895 7.350 1.00 0.00 N ATOM 459 NH2 ARG A 42 -12.207 5.783 7.985 1.00 0.00 N ATOM 0 H ARG A 42 -12.010 6.781 0.664 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.659 4.164 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.148 6.628 2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.930 5.175 3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.454 5.455 3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.704 6.939 2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.292 7.507 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.962 7.882 4.551 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.919 5.236 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.267 8.548 6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.659 8.213 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.409 4.811 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.303 6.104 8.948 1.00 0.00 H new ATOM 473 N ARG A 43 -14.610 4.969 0.600 1.00 0.00 N ATOM 474 CA ARG A 43 -15.982 4.499 0.396 1.00 0.00 C ATOM 475 C ARG A 43 -16.072 3.425 -0.689 1.00 0.00 C ATOM 476 O ARG A 43 -17.113 2.789 -0.855 1.00 0.00 O ATOM 477 CB ARG A 43 -16.900 5.673 0.054 1.00 0.00 C ATOM 478 CG ARG A 43 -16.919 6.751 1.126 1.00 0.00 C ATOM 479 CD ARG A 43 -17.992 7.792 0.860 1.00 0.00 C ATOM 480 NE ARG A 43 -19.335 7.228 0.972 1.00 0.00 N ATOM 481 CZ ARG A 43 -20.433 7.817 0.500 1.00 0.00 C ATOM 482 NH1 ARG A 43 -20.352 8.979 -0.137 1.00 0.00 N ATOM 483 NH2 ARG A 43 -21.616 7.237 0.661 1.00 0.00 N ATOM 0 H ARG A 43 -14.387 5.844 0.125 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.309 4.044 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.579 6.114 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.914 5.301 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.091 6.292 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.944 7.237 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.883 8.615 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.855 8.209 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 43 -19.438 6.328 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.445 9.427 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -21.197 9.424 -0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -21.683 6.342 1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.458 7.686 0.300 1.00 0.00 H new ATOM 497 N THR A 44 -14.986 3.224 -1.421 1.00 0.00 N ATOM 498 CA THR A 44 -14.926 2.185 -2.445 1.00 0.00 C ATOM 499 C THR A 44 -14.675 0.812 -1.808 1.00 0.00 C ATOM 500 O THR A 44 -14.420 0.733 -0.606 1.00 0.00 O ATOM 501 CB THR A 44 -13.788 2.492 -3.437 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.937 3.503 -2.890 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.326 2.946 -4.787 1.00 0.00 C ATOM 0 H THR A 44 -14.129 3.769 -1.326 1.00 0.00 H new ATOM 0 HA THR A 44 -15.881 2.167 -2.969 1.00 0.00 H new ATOM 0 HB THR A 44 -13.222 1.574 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.212 3.697 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.494 3.153 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.950 2.160 -5.213 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.920 3.850 -4.656 1.00 0.00 H new ATOM 511 N PRO A 45 -14.721 -0.283 -2.591 1.00 0.00 N ATOM 512 CA PRO A 45 -14.305 -1.602 -2.105 1.00 0.00 C ATOM 513 C PRO A 45 -12.797 -1.654 -1.867 1.00 0.00 C ATOM 514 O PRO A 45 -12.037 -0.879 -2.464 1.00 0.00 O ATOM 515 CB PRO A 45 -14.699 -2.548 -3.240 1.00 0.00 C ATOM 516 CG PRO A 45 -14.719 -1.686 -4.452 1.00 0.00 C ATOM 517 CD PRO A 45 -15.204 -0.344 -3.983 1.00 0.00 C ATOM 0 HA PRO A 45 -14.768 -1.859 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.983 -3.363 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.674 -3.001 -3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.727 -1.611 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.380 -2.097 -5.215 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.796 0.466 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.290 -0.266 -4.037 1.00 0.00 H new ATOM 525 N THR A 46 -12.366 -2.551 -0.998 1.00 0.00 N ATOM 526 CA THR A 46 -10.957 -2.671 -0.647 1.00 0.00 C ATOM 527 C THR A 46 -10.142 -3.193 -1.826 1.00 0.00 C ATOM 528 O THR A 46 -8.989 -2.802 -2.019 1.00 0.00 O ATOM 529 CB THR A 46 -10.778 -3.621 0.546 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.926 -3.539 1.399 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.539 -3.265 1.351 1.00 0.00 C ATOM 0 H THR A 46 -12.975 -3.213 -0.518 1.00 0.00 H new ATOM 0 HA THR A 46 -10.599 -1.677 -0.379 1.00 0.00 H new ATOM 0 HB THR A 46 -10.664 -4.633 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.813 -4.147 2.159 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.439 -3.955 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.658 -3.338 0.714 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.631 -2.247 1.729 1.00 0.00 H new ATOM 539 N SER A 47 -10.763 -4.057 -2.622 1.00 0.00 N ATOM 540 CA SER A 47 -10.103 -4.698 -3.751 1.00 0.00 C ATOM 541 C SER A 47 -9.556 -3.666 -4.730 1.00 0.00 C ATOM 542 O SER A 47 -8.426 -3.785 -5.205 1.00 0.00 O ATOM 543 CB SER A 47 -11.094 -5.627 -4.456 1.00 0.00 C ATOM 544 OG SER A 47 -12.322 -4.957 -4.708 1.00 0.00 O ATOM 0 H SER A 47 -11.738 -4.332 -2.502 1.00 0.00 H new ATOM 0 HA SER A 47 -9.259 -5.278 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.666 -5.977 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.275 -6.508 -3.840 1.00 0.00 H new ATOM 0 HG SER A 47 -12.941 -5.567 -5.161 1.00 0.00 H new ATOM 550 N SER A 48 -10.349 -2.640 -4.996 1.00 0.00 N ATOM 551 CA SER A 48 -9.966 -1.588 -5.910 1.00 0.00 C ATOM 552 C SER A 48 -8.729 -0.852 -5.412 1.00 0.00 C ATOM 553 O SER A 48 -7.804 -0.582 -6.177 1.00 0.00 O ATOM 554 CB SER A 48 -11.123 -0.615 -6.051 1.00 0.00 C ATOM 555 OG SER A 48 -12.262 -1.253 -6.603 1.00 0.00 O ATOM 0 H SER A 48 -11.273 -2.518 -4.583 1.00 0.00 H new ATOM 0 HA SER A 48 -9.726 -2.030 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.373 -0.198 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.826 0.219 -6.687 1.00 0.00 H new ATOM 0 HG SER A 48 -12.993 -0.606 -6.682 1.00 0.00 H new ATOM 561 N LYS A 49 -8.724 -0.556 -4.119 1.00 0.00 N ATOM 562 CA LYS A 49 -7.633 0.184 -3.497 1.00 0.00 C ATOM 563 C LYS A 49 -6.333 -0.589 -3.614 1.00 0.00 C ATOM 564 O LYS A 49 -5.304 -0.044 -4.013 1.00 0.00 O ATOM 565 CB LYS A 49 -7.939 0.426 -2.023 1.00 0.00 C ATOM 566 CG LYS A 49 -9.333 0.953 -1.778 1.00 0.00 C ATOM 567 CD LYS A 49 -9.573 1.261 -0.311 1.00 0.00 C ATOM 568 CE LYS A 49 -11.047 1.146 0.034 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.910 1.511 -1.106 1.00 0.00 N ATOM 0 H LYS A 49 -9.470 -0.820 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.530 1.139 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.810 -0.507 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.215 1.135 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.489 1.856 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.063 0.219 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.996 0.574 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.220 2.267 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.268 0.125 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.273 1.793 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.888 1.634 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.572 2.400 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.878 0.756 -1.821 1.00 0.00 H new ATOM 583 N VAL A 50 -6.400 -1.870 -3.282 1.00 0.00 N ATOM 584 CA VAL A 50 -5.219 -2.723 -3.294 1.00 0.00 C ATOM 585 C VAL A 50 -4.673 -2.870 -4.712 1.00 0.00 C ATOM 586 O VAL A 50 -3.466 -2.779 -4.939 1.00 0.00 O ATOM 587 CB VAL A 50 -5.527 -4.116 -2.705 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.296 -5.009 -2.737 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.050 -3.987 -1.282 1.00 0.00 C ATOM 0 H VAL A 50 -7.259 -2.342 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.464 -2.245 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.297 -4.579 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.543 -5.984 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.963 -5.133 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.499 -4.551 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.262 -4.978 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.299 -3.498 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.964 -3.393 -1.283 1.00 0.00 H new ATOM 599 N HIS A 51 -5.573 -3.075 -5.667 1.00 0.00 N ATOM 600 CA HIS A 51 -5.182 -3.220 -7.068 1.00 0.00 C ATOM 601 C HIS A 51 -4.573 -1.922 -7.590 1.00 0.00 C ATOM 602 O HIS A 51 -3.615 -1.941 -8.363 1.00 0.00 O ATOM 603 CB HIS A 51 -6.383 -3.608 -7.933 1.00 0.00 C ATOM 604 CG HIS A 51 -6.959 -4.957 -7.625 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.986 -5.516 -8.351 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.655 -5.858 -6.660 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.286 -6.696 -7.850 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.494 -6.930 -6.823 1.00 0.00 N ATOM 0 H HIS A 51 -6.577 -3.145 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.437 -4.014 -7.126 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.163 -2.857 -7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.083 -3.585 -8.981 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.893 -5.751 -5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.053 -7.361 -8.219 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.504 -7.770 -6.245 1.00 0.00 H new ATOM 617 N PHE A 52 -5.135 -0.800 -7.149 1.00 0.00 N ATOM 618 CA PHE A 52 -4.668 0.519 -7.562 1.00 0.00 C ATOM 619 C PHE A 52 -3.239 0.752 -7.083 1.00 0.00 C ATOM 620 O PHE A 52 -2.363 1.119 -7.866 1.00 0.00 O ATOM 621 CB PHE A 52 -5.599 1.599 -6.997 1.00 0.00 C ATOM 622 CG PHE A 52 -5.296 2.994 -7.472 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.349 3.775 -6.828 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.968 3.527 -8.559 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.079 5.057 -7.260 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.702 4.810 -8.997 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.756 5.576 -8.347 1.00 0.00 C ATOM 0 H PHE A 52 -5.921 -0.779 -6.500 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.679 0.572 -8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.626 1.352 -7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.540 1.578 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.816 3.375 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.710 2.932 -9.071 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.339 5.655 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.233 5.213 -9.847 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.545 6.579 -8.687 1.00 0.00 H new ATOM 637 N LEU A 53 -3.013 0.526 -5.795 1.00 0.00 N ATOM 638 CA LEU A 53 -1.699 0.722 -5.196 1.00 0.00 C ATOM 639 C LEU A 53 -0.667 -0.211 -5.821 1.00 0.00 C ATOM 640 O LEU A 53 0.489 0.166 -6.015 1.00 0.00 O ATOM 641 CB LEU A 53 -1.773 0.498 -3.686 1.00 0.00 C ATOM 642 CG LEU A 53 -2.726 1.436 -2.944 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.789 1.080 -1.470 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.300 2.885 -3.127 1.00 0.00 C ATOM 0 H LEU A 53 -3.728 0.205 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.385 1.748 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.081 -0.531 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.773 0.612 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.723 1.315 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.472 1.759 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.145 0.056 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.795 1.169 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.990 3.537 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.293 3.021 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.312 3.136 -4.188 1.00 0.00 H new ATOM 656 N LYS A 54 -1.096 -1.422 -6.150 1.00 0.00 N ATOM 657 CA LYS A 54 -0.233 -2.386 -6.822 1.00 0.00 C ATOM 658 C LYS A 54 0.237 -1.831 -8.164 1.00 0.00 C ATOM 659 O LYS A 54 1.412 -1.934 -8.522 1.00 0.00 O ATOM 660 CB LYS A 54 -0.988 -3.707 -7.019 1.00 0.00 C ATOM 661 CG LYS A 54 -0.174 -4.803 -7.697 1.00 0.00 C ATOM 662 CD LYS A 54 -0.316 -4.788 -9.216 1.00 0.00 C ATOM 663 CE LYS A 54 -1.729 -5.136 -9.664 1.00 0.00 C ATOM 664 NZ LYS A 54 -1.827 -5.250 -11.142 1.00 0.00 N ATOM 0 H LYS A 54 -2.039 -1.762 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 54 0.645 -2.571 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.322 -4.069 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.882 -3.515 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.877 -4.685 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.491 -5.774 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.049 -3.801 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.387 -5.498 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.034 -6.077 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.421 -4.371 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.804 -5.488 -11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.560 -4.345 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.186 -5.998 -11.476 1.00 0.00 H new ATOM 678 N SER A 55 -0.694 -1.226 -8.888 1.00 0.00 N ATOM 679 CA SER A 55 -0.411 -0.637 -10.193 1.00 0.00 C ATOM 680 C SER A 55 0.448 0.625 -10.058 1.00 0.00 C ATOM 681 O SER A 55 1.007 1.115 -11.042 1.00 0.00 O ATOM 682 CB SER A 55 -1.725 -0.311 -10.911 1.00 0.00 C ATOM 683 OG SER A 55 -1.499 0.162 -12.231 1.00 0.00 O ATOM 0 H SER A 55 -1.665 -1.129 -8.590 1.00 0.00 H new ATOM 0 HA SER A 55 0.151 -1.362 -10.782 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.351 -1.202 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.273 0.441 -10.344 1.00 0.00 H new ATOM 0 HG SER A 55 -0.578 0.487 -12.309 1.00 0.00 H new ATOM 689 N LYS A 56 0.551 1.146 -8.842 1.00 0.00 N ATOM 690 CA LYS A 56 1.372 2.315 -8.574 1.00 0.00 C ATOM 691 C LYS A 56 2.814 1.913 -8.285 1.00 0.00 C ATOM 692 O LYS A 56 3.665 2.762 -8.022 1.00 0.00 O ATOM 693 CB LYS A 56 0.800 3.099 -7.394 1.00 0.00 C ATOM 694 CG LYS A 56 -0.421 3.935 -7.742 1.00 0.00 C ATOM 695 CD LYS A 56 -0.060 5.093 -8.661 1.00 0.00 C ATOM 696 CE LYS A 56 -1.265 5.975 -8.943 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.896 7.204 -9.690 1.00 0.00 N ATOM 0 H LYS A 56 0.072 0.773 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 56 1.365 2.948 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.535 2.400 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.575 3.754 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.169 3.306 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.871 4.321 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.730 5.689 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.336 4.705 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.001 5.410 -9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.739 6.252 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.748 7.776 -9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.214 7.757 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.467 6.941 -10.600 1.00 0.00 H new ATOM 711 N GLY A 57 3.081 0.615 -8.338 1.00 0.00 N ATOM 712 CA GLY A 57 4.428 0.131 -8.125 1.00 0.00 C ATOM 713 C GLY A 57 4.647 -0.367 -6.714 1.00 0.00 C ATOM 714 O GLY A 57 5.781 -0.630 -6.312 1.00 0.00 O ATOM 0 H GLY A 57 2.388 -0.110 -8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.636 -0.675 -8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.136 0.931 -8.339 1.00 0.00 H new ATOM 718 N LEU A 58 3.570 -0.494 -5.956 1.00 0.00 N ATOM 719 CA LEU A 58 3.668 -0.994 -4.596 1.00 0.00 C ATOM 720 C LEU A 58 3.563 -2.506 -4.561 1.00 0.00 C ATOM 721 O LEU A 58 2.881 -3.120 -5.381 1.00 0.00 O ATOM 722 CB LEU A 58 2.589 -0.397 -3.693 1.00 0.00 C ATOM 723 CG LEU A 58 2.924 0.954 -3.064 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.752 2.088 -4.063 1.00 0.00 C ATOM 725 CD2 LEU A 58 2.074 1.167 -1.828 1.00 0.00 C ATOM 0 H LEU A 58 2.624 -0.259 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 58 4.645 -0.690 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.673 -0.289 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.377 -1.107 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 58 3.973 0.952 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.998 3.036 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.415 1.928 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.719 2.114 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.316 2.132 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.020 1.149 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.274 0.374 -1.108 1.00 0.00 H new ATOM 737 N SER A 59 4.252 -3.088 -3.603 1.00 0.00 N ATOM 738 CA SER A 59 4.201 -4.514 -3.371 1.00 0.00 C ATOM 739 C SER A 59 3.173 -4.824 -2.288 1.00 0.00 C ATOM 740 O SER A 59 2.646 -3.911 -1.650 1.00 0.00 O ATOM 741 CB SER A 59 5.581 -4.997 -2.947 1.00 0.00 C ATOM 742 OG SER A 59 6.549 -4.698 -3.940 1.00 0.00 O ATOM 0 H SER A 59 4.865 -2.584 -2.962 1.00 0.00 H new ATOM 0 HA SER A 59 3.905 -5.028 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.862 -4.525 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.556 -6.072 -2.770 1.00 0.00 H new ATOM 0 HG SER A 59 7.428 -5.016 -3.646 1.00 0.00 H new ATOM 748 N ALA A 60 2.912 -6.105 -2.064 1.00 0.00 N ATOM 749 CA ALA A 60 1.910 -6.523 -1.092 1.00 0.00 C ATOM 750 C ALA A 60 2.254 -6.024 0.309 1.00 0.00 C ATOM 751 O ALA A 60 1.381 -5.587 1.056 1.00 0.00 O ATOM 752 CB ALA A 60 1.768 -8.038 -1.102 1.00 0.00 C ATOM 0 H ALA A 60 3.381 -6.874 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 60 0.956 -6.079 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.017 -8.338 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.461 -8.368 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.724 -8.495 -0.847 1.00 0.00 H new ATOM 758 N GLU A 61 3.537 -6.074 0.651 1.00 0.00 N ATOM 759 CA GLU A 61 3.997 -5.624 1.963 1.00 0.00 C ATOM 760 C GLU A 61 3.836 -4.115 2.118 1.00 0.00 C ATOM 761 O GLU A 61 3.521 -3.626 3.202 1.00 0.00 O ATOM 762 CB GLU A 61 5.455 -6.021 2.178 1.00 0.00 C ATOM 763 CG GLU A 61 5.668 -7.523 2.212 1.00 0.00 C ATOM 764 CD GLU A 61 7.117 -7.897 2.407 1.00 0.00 C ATOM 765 OE1 GLU A 61 7.509 -8.198 3.555 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.873 -7.892 1.414 1.00 0.00 O ATOM 0 H GLU A 61 4.277 -6.421 0.040 1.00 0.00 H new ATOM 0 HA GLU A 61 3.380 -6.110 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.063 -5.593 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.808 -5.589 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.074 -7.953 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.306 -7.959 1.281 1.00 0.00 H new ATOM 773 N GLU A 62 4.043 -3.387 1.026 1.00 0.00 N ATOM 774 CA GLU A 62 3.880 -1.935 1.027 1.00 0.00 C ATOM 775 C GLU A 62 2.424 -1.587 1.304 1.00 0.00 C ATOM 776 O GLU A 62 2.115 -0.722 2.123 1.00 0.00 O ATOM 777 CB GLU A 62 4.289 -1.347 -0.327 1.00 0.00 C ATOM 778 CG GLU A 62 5.640 -1.820 -0.836 1.00 0.00 C ATOM 779 CD GLU A 62 6.797 -1.353 0.016 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.350 -0.275 -0.271 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.177 -2.082 0.954 1.00 0.00 O ATOM 0 H GLU A 62 4.324 -3.778 0.127 1.00 0.00 H new ATOM 0 HA GLU A 62 4.518 -1.514 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.528 -1.601 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.305 -0.260 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.644 -2.909 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.782 -1.463 -1.856 1.00 0.00 H new ATOM 788 N ILE A 63 1.537 -2.289 0.612 1.00 0.00 N ATOM 789 CA ILE A 63 0.104 -2.089 0.749 1.00 0.00 C ATOM 790 C ILE A 63 -0.367 -2.474 2.153 1.00 0.00 C ATOM 791 O ILE A 63 -1.145 -1.752 2.778 1.00 0.00 O ATOM 792 CB ILE A 63 -0.660 -2.915 -0.307 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.155 -2.567 -1.711 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.155 -2.664 -0.207 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.663 -3.499 -2.792 1.00 0.00 C ATOM 0 H ILE A 63 1.792 -3.013 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.105 -1.031 0.590 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.478 -3.973 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.455 -1.547 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.935 -2.586 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.675 -3.256 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.506 -2.949 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.358 -1.606 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.263 -3.189 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.340 -4.517 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.752 -3.462 -2.822 1.00 0.00 H new ATOM 807 N CYS A 64 0.132 -3.604 2.647 1.00 0.00 N ATOM 808 CA CYS A 64 -0.204 -4.090 3.982 1.00 0.00 C ATOM 809 C CYS A 64 0.146 -3.049 5.046 1.00 0.00 C ATOM 810 O CYS A 64 -0.636 -2.796 5.969 1.00 0.00 O ATOM 811 CB CYS A 64 0.538 -5.402 4.264 1.00 0.00 C ATOM 812 SG CYS A 64 0.205 -6.122 5.890 1.00 0.00 S ATOM 0 H CYS A 64 0.778 -4.206 2.136 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.278 -4.270 4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.268 -6.129 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.610 -5.225 4.172 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.078 -6.147 6.099 1.00 0.00 H new ATOM 818 N GLU A 65 1.316 -2.439 4.903 1.00 0.00 N ATOM 819 CA GLU A 65 1.770 -1.434 5.841 1.00 0.00 C ATOM 820 C GLU A 65 0.903 -0.184 5.755 1.00 0.00 C ATOM 821 O GLU A 65 0.422 0.320 6.769 1.00 0.00 O ATOM 822 CB GLU A 65 3.229 -1.091 5.561 1.00 0.00 C ATOM 823 CG GLU A 65 3.735 0.084 6.365 1.00 0.00 C ATOM 824 CD GLU A 65 5.213 0.339 6.160 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.603 1.511 5.998 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.996 -0.635 6.155 1.00 0.00 O ATOM 0 H GLU A 65 1.967 -2.628 4.141 1.00 0.00 H new ATOM 0 HA GLU A 65 1.685 -1.834 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.847 -1.962 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.346 -0.873 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.175 0.977 6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.545 -0.096 7.423 1.00 0.00 H new ATOM 833 N ALA A 66 0.686 0.286 4.533 1.00 0.00 N ATOM 834 CA ALA A 66 -0.102 1.488 4.298 1.00 0.00 C ATOM 835 C ALA A 66 -1.498 1.354 4.886 1.00 0.00 C ATOM 836 O ALA A 66 -1.967 2.248 5.588 1.00 0.00 O ATOM 837 CB ALA A 66 -0.189 1.786 2.811 1.00 0.00 C ATOM 0 H ALA A 66 1.047 -0.151 3.685 1.00 0.00 H new ATOM 0 HA ALA A 66 0.400 2.317 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.781 2.687 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.814 1.937 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.662 0.948 2.299 1.00 0.00 H new ATOM 843 N PHE A 67 -2.147 0.228 4.614 1.00 0.00 N ATOM 844 CA PHE A 67 -3.481 -0.031 5.132 1.00 0.00 C ATOM 845 C PHE A 67 -3.509 0.051 6.651 1.00 0.00 C ATOM 846 O PHE A 67 -4.391 0.684 7.233 1.00 0.00 O ATOM 847 CB PHE A 67 -3.980 -1.401 4.673 1.00 0.00 C ATOM 848 CG PHE A 67 -4.841 -1.337 3.448 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.282 -1.358 2.183 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.216 -1.250 3.566 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.080 -1.293 1.057 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.020 -1.186 2.446 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.451 -1.208 1.189 1.00 0.00 C ATOM 0 H PHE A 67 -1.768 -0.521 4.035 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.144 0.738 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.123 -2.044 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.545 -1.864 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.210 -1.426 2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.667 -1.232 4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.631 -1.309 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.093 -1.119 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.077 -1.159 0.311 1.00 0.00 H new ATOM 863 N THR A 68 -2.538 -0.568 7.298 1.00 0.00 N ATOM 864 CA THR A 68 -2.503 -0.578 8.749 1.00 0.00 C ATOM 865 C THR A 68 -2.299 0.838 9.292 1.00 0.00 C ATOM 866 O THR A 68 -2.833 1.197 10.342 1.00 0.00 O ATOM 867 CB THR A 68 -1.400 -1.511 9.276 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.484 -2.789 8.626 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.532 -1.701 10.780 1.00 0.00 C ATOM 0 H THR A 68 -1.770 -1.066 6.847 1.00 0.00 H new ATOM 0 HA THR A 68 -3.463 -0.956 9.100 1.00 0.00 H new ATOM 0 HB THR A 68 -0.434 -1.054 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.127 -2.717 7.716 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.743 -2.364 11.134 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.445 -0.735 11.278 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.504 -2.140 11.007 1.00 0.00 H new ATOM 877 N LYS A 69 -1.551 1.648 8.551 1.00 0.00 N ATOM 878 CA LYS A 69 -1.290 3.027 8.949 1.00 0.00 C ATOM 879 C LYS A 69 -2.536 3.902 8.829 1.00 0.00 C ATOM 880 O LYS A 69 -2.710 4.845 9.599 1.00 0.00 O ATOM 881 CB LYS A 69 -0.167 3.626 8.106 1.00 0.00 C ATOM 882 CG LYS A 69 1.168 2.922 8.277 1.00 0.00 C ATOM 883 CD LYS A 69 2.288 3.909 8.559 1.00 0.00 C ATOM 884 CE LYS A 69 2.464 4.901 7.425 1.00 0.00 C ATOM 885 NZ LYS A 69 3.537 5.887 7.710 1.00 0.00 N ATOM 0 H LYS A 69 -1.114 1.374 7.671 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.990 3.004 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.455 3.590 7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.049 4.677 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.100 2.205 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.400 2.356 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.074 4.447 9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.220 3.366 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.700 4.364 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.525 5.427 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.624 6.546 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.300 6.418 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.439 5.388 7.848 1.00 0.00 H new ATOM 899 N VAL A 70 -3.402 3.596 7.870 1.00 0.00 N ATOM 900 CA VAL A 70 -4.589 4.419 7.633 1.00 0.00 C ATOM 901 C VAL A 70 -5.729 4.037 8.571 1.00 0.00 C ATOM 902 O VAL A 70 -6.786 4.669 8.570 1.00 0.00 O ATOM 903 CB VAL A 70 -5.075 4.328 6.169 1.00 0.00 C ATOM 904 CG1 VAL A 70 -3.940 4.653 5.219 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.665 2.961 5.853 1.00 0.00 C ATOM 0 H VAL A 70 -3.309 2.793 7.248 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.292 5.448 7.834 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.869 5.062 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.295 4.585 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.581 5.664 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.126 3.944 5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.995 2.938 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.908 2.193 6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.516 2.772 6.508 1.00 0.00 H new ATOM 915 N GLY A 71 -5.510 3.005 9.373 1.00 0.00 N ATOM 916 CA GLY A 71 -6.525 2.582 10.315 1.00 0.00 C ATOM 917 C GLY A 71 -7.289 1.372 9.831 1.00 0.00 C ATOM 918 O GLY A 71 -8.388 1.088 10.311 1.00 0.00 O ATOM 0 H GLY A 71 -4.651 2.455 9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.056 2.354 11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.221 3.403 10.488 1.00 0.00 H new ATOM 922 N GLN A 72 -6.717 0.662 8.872 1.00 0.00 N ATOM 923 CA GLN A 72 -7.324 -0.551 8.358 1.00 0.00 C ATOM 924 C GLN A 72 -6.312 -1.690 8.425 1.00 0.00 C ATOM 925 O GLN A 72 -5.537 -1.894 7.495 1.00 0.00 O ATOM 926 CB GLN A 72 -7.776 -0.337 6.910 1.00 0.00 C ATOM 927 CG GLN A 72 -8.511 -1.522 6.309 1.00 0.00 C ATOM 928 CD GLN A 72 -9.935 -1.637 6.802 1.00 0.00 C ATOM 929 OE1 GLN A 72 -10.211 -2.272 7.819 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.851 -1.022 6.074 1.00 0.00 N ATOM 0 H GLN A 72 -5.829 0.908 8.433 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.195 -0.804 8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.424 0.538 6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.902 -0.116 6.297 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.513 -1.430 5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.972 -2.438 6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.576 -0.507 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.833 -1.063 6.349 1.00 0.00 H new ATOM 939 N PRO A 73 -6.295 -2.444 9.526 1.00 0.00 N ATOM 940 CA PRO A 73 -5.321 -3.511 9.708 1.00 0.00 C ATOM 941 C PRO A 73 -5.615 -4.719 8.825 1.00 0.00 C ATOM 942 O PRO A 73 -6.518 -5.515 9.100 1.00 0.00 O ATOM 943 CB PRO A 73 -5.439 -3.869 11.186 1.00 0.00 C ATOM 944 CG PRO A 73 -6.812 -3.444 11.588 1.00 0.00 C ATOM 945 CD PRO A 73 -7.204 -2.309 10.677 1.00 0.00 C ATOM 0 HA PRO A 73 -4.317 -3.196 9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.297 -4.938 11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.680 -3.356 11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.515 -4.272 11.497 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.828 -3.126 12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.248 -2.385 10.372 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.085 -1.343 11.169 1.00 0.00 H new ATOM 953 N LYS A 74 -4.868 -4.818 7.743 1.00 0.00 N ATOM 954 CA LYS A 74 -4.950 -5.951 6.840 1.00 0.00 C ATOM 955 C LYS A 74 -3.675 -6.767 6.929 1.00 0.00 C ATOM 956 O LYS A 74 -2.581 -6.209 7.054 1.00 0.00 O ATOM 957 CB LYS A 74 -5.162 -5.485 5.396 1.00 0.00 C ATOM 958 CG LYS A 74 -6.566 -4.978 5.107 1.00 0.00 C ATOM 959 CD LYS A 74 -7.594 -6.087 5.256 1.00 0.00 C ATOM 960 CE LYS A 74 -8.969 -5.642 4.794 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.982 -6.719 4.968 1.00 0.00 N ATOM 0 H LYS A 74 -4.185 -4.114 7.464 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.802 -6.565 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.448 -4.692 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.940 -6.313 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.807 -4.161 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.608 -4.573 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.279 -6.956 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.644 -6.400 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.275 -4.760 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.924 -5.350 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.745 -6.594 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.532 -7.645 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.378 -6.671 5.928 1.00 0.00 H new ATOM 975 N THR A 75 -3.811 -8.079 6.890 1.00 0.00 N ATOM 976 CA THR A 75 -2.657 -8.954 6.908 1.00 0.00 C ATOM 977 C THR A 75 -2.063 -9.079 5.515 1.00 0.00 C ATOM 978 O THR A 75 -2.693 -8.707 4.520 1.00 0.00 O ATOM 979 CB THR A 75 -3.022 -10.354 7.437 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.097 -10.908 6.666 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.419 -10.289 8.902 1.00 0.00 C ATOM 0 H THR A 75 -4.709 -8.561 6.846 1.00 0.00 H new ATOM 0 HA THR A 75 -1.921 -8.511 7.579 1.00 0.00 H new ATOM 0 HB THR A 75 -2.145 -10.995 7.343 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.320 -11.798 7.009 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.673 -11.289 9.255 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.587 -9.898 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.283 -9.634 9.016 1.00 0.00 H new ATOM 989 N LEU A 76 -0.851 -9.600 5.450 1.00 0.00 N ATOM 990 CA LEU A 76 -0.183 -9.824 4.183 1.00 0.00 C ATOM 991 C LEU A 76 -0.963 -10.842 3.362 1.00 0.00 C ATOM 992 O LEU A 76 -1.016 -10.759 2.135 1.00 0.00 O ATOM 993 CB LEU A 76 1.250 -10.307 4.421 1.00 0.00 C ATOM 994 CG LEU A 76 2.082 -10.537 3.160 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.219 -9.247 2.366 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.452 -11.087 3.522 1.00 0.00 C ATOM 0 H LEU A 76 -0.307 -9.877 6.267 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.141 -8.886 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.763 -9.576 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.212 -11.238 4.986 1.00 0.00 H new ATOM 0 HG LEU A 76 1.568 -11.269 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.815 -9.432 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.230 -8.891 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.710 -8.492 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.032 -11.245 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.971 -10.376 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.336 -12.035 4.048 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.587 -11.786 4.058 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.404 -12.803 3.411 1.00 0.00 C ATOM 1010 C ASN A 77 -3.591 -12.155 2.717 1.00 0.00 C ATOM 1011 O ASN A 77 -3.933 -12.517 1.594 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.898 -13.831 4.430 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.536 -15.041 3.766 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -2.850 -15.997 3.412 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.849 -15.015 3.604 1.00 0.00 N ATOM 0 H ASN A 77 -1.541 -11.867 5.074 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.790 -13.315 2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.062 -14.157 5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.622 -13.361 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.325 -15.807 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.385 -14.203 3.911 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.204 -11.187 3.392 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.315 -10.437 2.820 1.00 0.00 C ATOM 1024 C GLU A 78 -4.899 -9.757 1.529 1.00 0.00 C ATOM 1025 O GLU A 78 -5.581 -9.869 0.516 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.828 -9.391 3.810 1.00 0.00 C ATOM 1027 CG GLU A 78 -7.026 -9.854 4.615 1.00 0.00 C ATOM 1028 CD GLU A 78 -8.288 -9.937 3.781 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -9.126 -9.013 3.870 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.455 -10.924 3.036 1.00 0.00 O ATOM 0 H GLU A 78 -3.948 -10.904 4.338 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.116 -11.143 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.022 -9.124 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.095 -8.486 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.814 -10.833 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.188 -9.168 5.446 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.761 -9.078 1.562 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.274 -8.362 0.395 1.00 0.00 C ATOM 1039 C ILE A 79 -2.990 -9.335 -0.749 1.00 0.00 C ATOM 1040 O ILE A 79 -3.338 -9.070 -1.899 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.007 -7.541 0.718 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.243 -6.645 1.941 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.600 -6.699 -0.483 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.411 -5.689 1.791 1.00 0.00 C ATOM 0 H ILE A 79 -3.160 -9.009 2.383 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.055 -7.667 0.088 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.198 -8.234 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.413 -7.276 2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.338 -6.069 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.705 -6.126 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.393 -7.351 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.410 -6.016 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.511 -5.092 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.235 -5.031 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.327 -6.257 1.628 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.385 -10.472 -0.421 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.131 -11.518 -1.411 1.00 0.00 C ATOM 1058 C LYS A 80 -3.441 -12.041 -1.985 1.00 0.00 C ATOM 1059 O LYS A 80 -3.569 -12.238 -3.191 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.354 -12.678 -0.785 1.00 0.00 C ATOM 1061 CG LYS A 80 0.068 -12.323 -0.399 1.00 0.00 C ATOM 1062 CD LYS A 80 0.816 -13.539 0.125 1.00 0.00 C ATOM 1063 CE LYS A 80 2.275 -13.220 0.410 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.005 -14.395 0.953 1.00 0.00 N ATOM 0 H LYS A 80 -2.061 -10.694 0.520 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.536 -11.081 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.886 -13.023 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.333 -13.511 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.591 -11.916 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.057 -11.544 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.337 -13.897 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.756 -14.346 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.759 -12.885 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.334 -12.396 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.996 -14.135 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.560 -14.700 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.971 -15.173 0.264 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.401 -12.258 -1.100 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.727 -12.732 -1.478 1.00 0.00 C ATOM 1080 C ARG A 81 -6.415 -11.746 -2.418 1.00 0.00 C ATOM 1081 O ARG A 81 -6.983 -12.134 -3.437 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.581 -12.939 -0.224 1.00 0.00 C ATOM 1083 CG ARG A 81 -8.005 -13.382 -0.510 1.00 0.00 C ATOM 1084 CD ARG A 81 -8.044 -14.743 -1.179 1.00 0.00 C ATOM 1085 NE ARG A 81 -9.412 -15.211 -1.370 1.00 0.00 N ATOM 1086 CZ ARG A 81 -9.736 -16.420 -1.823 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -8.791 -17.308 -2.116 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -11.012 -16.747 -1.964 1.00 0.00 N ATOM 0 H ARG A 81 -4.285 -12.111 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.615 -13.681 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.101 -13.684 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.608 -12.008 0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.569 -13.418 0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.493 -12.647 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.540 -14.689 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.495 -15.463 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.171 -14.569 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.808 -17.065 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.049 -18.232 -2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.740 -16.074 -1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.266 -17.672 -2.311 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.350 -10.471 -2.070 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.984 -9.429 -2.860 1.00 0.00 C ATOM 1104 C ILE A 82 -6.292 -9.267 -4.215 1.00 0.00 C ATOM 1105 O ILE A 82 -6.947 -9.016 -5.228 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.978 -8.083 -2.105 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.717 -8.228 -0.769 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.619 -6.993 -2.949 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.601 -7.022 0.136 1.00 0.00 C ATOM 0 H ILE A 82 -5.862 -10.132 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.017 -9.731 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.944 -7.799 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.771 -8.419 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.329 -9.101 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.605 -6.052 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.062 -6.878 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.650 -7.266 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.151 -7.206 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.552 -6.841 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.017 -6.149 -0.367 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.976 -9.438 -4.235 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.205 -9.288 -5.467 1.00 0.00 C ATOM 1123 C LEU A 83 -4.336 -10.509 -6.369 1.00 0.00 C ATOM 1124 O LEU A 83 -3.948 -10.468 -7.537 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.730 -9.024 -5.155 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.424 -7.637 -4.590 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -0.949 -7.517 -4.239 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.822 -6.559 -5.587 1.00 0.00 C ATOM 0 H LEU A 83 -4.420 -9.680 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.615 -8.431 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.386 -9.773 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.151 -9.163 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.007 -7.500 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.750 -6.523 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.690 -8.268 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.348 -7.674 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.598 -5.577 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.264 -6.696 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.890 -6.630 -5.793 1.00 0.00 H new ATOM 1140 N SER A 84 -4.862 -11.596 -5.831 1.00 0.00 N ATOM 1141 CA SER A 84 -5.114 -12.780 -6.634 1.00 0.00 C ATOM 1142 C SER A 84 -6.557 -12.776 -7.130 1.00 0.00 C ATOM 1143 O SER A 84 -6.791 -12.341 -8.276 1.00 0.00 O ATOM 1144 CB SER A 84 -4.800 -14.050 -5.834 1.00 0.00 C ATOM 1145 OG SER A 84 -5.430 -14.035 -4.563 1.00 0.00 O ATOM 1146 OXT SER A 84 -7.462 -13.164 -6.360 1.00 0.00 O ATOM 0 H SER A 84 -5.121 -11.683 -4.848 1.00 0.00 H new ATOM 0 HA SER A 84 -4.456 -12.768 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.130 -14.925 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.722 -14.142 -5.705 1.00 0.00 H new ATOM 0 HG SER A 84 -6.049 -13.277 -4.514 1.00 0.00 H new