USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 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 136:sc= -0.871 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -179:sc= -0.926! (180deg=-0.983!) 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= 1.15 K(o=1.1,f=-0.16) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00326 USER MOD Single : A 48 SER OG : rot -173:sc= -1.81! USER MOD Single : A 51 HIS : no HD1:sc= 1.2 K(o=1.2,f=-4.2!) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0.353 (180deg=0.344) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0601 (180deg=-0.344) USER MOD Single : A 59 SER OG : rot 85:sc= 1.24 USER MOD Single : A 64 CYS SG : rot 37:sc= 1.27 USER MOD Single : A 68 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.032) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 77 ASN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.087) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.358 6.334 0.410 1.00 0.00 N ATOM 201 CA LYS A 27 7.701 7.229 -0.532 1.00 0.00 C ATOM 202 C LYS A 27 6.413 6.608 -1.079 1.00 0.00 C ATOM 203 O LYS A 27 5.386 7.279 -1.172 1.00 0.00 O ATOM 204 CB LYS A 27 8.651 7.628 -1.676 1.00 0.00 C ATOM 205 CG LYS A 27 9.014 6.501 -2.634 1.00 0.00 C ATOM 206 CD LYS A 27 10.061 6.953 -3.642 1.00 0.00 C ATOM 207 CE LYS A 27 10.394 5.855 -4.641 1.00 0.00 C ATOM 208 NZ LYS A 27 11.551 6.217 -5.505 1.00 0.00 N ATOM 0 HA LYS A 27 7.431 8.136 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.190 8.435 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.569 8.027 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.392 5.648 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.120 6.165 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.697 7.831 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.967 7.252 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.617 4.933 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.523 5.658 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.743 5.441 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.329 7.083 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.390 6.380 -4.912 1.00 0.00 H new ATOM 222 N ARG A 28 6.454 5.323 -1.414 1.00 0.00 N ATOM 223 CA ARG A 28 5.294 4.656 -1.995 1.00 0.00 C ATOM 224 C ARG A 28 4.182 4.472 -0.970 1.00 0.00 C ATOM 225 O ARG A 28 3.007 4.679 -1.280 1.00 0.00 O ATOM 226 CB ARG A 28 5.687 3.312 -2.605 1.00 0.00 C ATOM 227 CG ARG A 28 6.524 3.451 -3.863 1.00 0.00 C ATOM 228 CD ARG A 28 6.757 2.112 -4.536 1.00 0.00 C ATOM 229 NE ARG A 28 7.495 1.186 -3.683 1.00 0.00 N ATOM 230 CZ ARG A 28 8.675 0.660 -3.993 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.298 1.013 -5.113 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.242 -0.211 -3.168 1.00 0.00 N ATOM 0 H ARG A 28 7.272 4.726 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 28 4.913 5.298 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.244 2.734 -1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.784 2.747 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.025 4.125 -4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.483 3.904 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.797 1.670 -4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.307 2.265 -5.464 1.00 0.00 H new ATOM 0 HE ARG A 28 7.077 0.925 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.870 1.693 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.204 0.604 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.772 -0.473 -2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.148 -0.618 -3.400 1.00 0.00 H new ATOM 246 N VAL A 29 4.549 4.104 0.251 1.00 0.00 N ATOM 247 CA VAL A 29 3.565 3.908 1.303 1.00 0.00 C ATOM 248 C VAL A 29 2.896 5.229 1.662 1.00 0.00 C ATOM 249 O VAL A 29 1.689 5.274 1.868 1.00 0.00 O ATOM 250 CB VAL A 29 4.182 3.258 2.562 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.174 3.195 3.698 1.00 0.00 C ATOM 252 CG2 VAL A 29 4.688 1.862 2.241 1.00 0.00 C ATOM 0 H VAL A 29 5.514 3.937 0.534 1.00 0.00 H new ATOM 0 HA VAL A 29 2.812 3.221 0.917 1.00 0.00 H new ATOM 0 HB VAL A 29 5.020 3.878 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.637 2.733 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.848 4.204 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.313 2.603 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.120 1.417 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.859 1.246 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.449 1.921 1.462 1.00 0.00 H new ATOM 262 N SER A 30 3.670 6.309 1.696 1.00 0.00 N ATOM 263 CA SER A 30 3.112 7.632 1.959 1.00 0.00 C ATOM 264 C SER A 30 2.050 7.982 0.916 1.00 0.00 C ATOM 265 O SER A 30 0.997 8.529 1.249 1.00 0.00 O ATOM 266 CB SER A 30 4.218 8.691 1.971 1.00 0.00 C ATOM 267 OG SER A 30 5.134 8.462 3.029 1.00 0.00 O ATOM 0 H SER A 30 4.679 6.296 1.546 1.00 0.00 H new ATOM 0 HA SER A 30 2.640 7.616 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.748 8.679 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.776 9.682 2.077 1.00 0.00 H new ATOM 0 HG SER A 30 5.831 9.151 3.013 1.00 0.00 H new ATOM 273 N ASN A 31 2.325 7.636 -0.340 1.00 0.00 N ATOM 274 CA ASN A 31 1.372 7.856 -1.427 1.00 0.00 C ATOM 275 C ASN A 31 0.133 6.982 -1.252 1.00 0.00 C ATOM 276 O ASN A 31 -0.981 7.391 -1.581 1.00 0.00 O ATOM 277 CB ASN A 31 2.017 7.576 -2.789 1.00 0.00 C ATOM 278 CG ASN A 31 2.836 8.745 -3.309 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.312 9.635 -3.982 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.126 8.747 -3.021 1.00 0.00 N ATOM 0 H ASN A 31 3.201 7.202 -0.631 1.00 0.00 H new ATOM 0 HA ASN A 31 1.071 8.903 -1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.658 6.698 -2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.237 7.336 -3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.723 9.502 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.525 7.993 -2.461 1.00 0.00 H new ATOM 287 N ALA A 32 0.333 5.772 -0.754 1.00 0.00 N ATOM 288 CA ALA A 32 -0.767 4.844 -0.524 1.00 0.00 C ATOM 289 C ALA A 32 -1.616 5.271 0.666 1.00 0.00 C ATOM 290 O ALA A 32 -2.841 5.283 0.588 1.00 0.00 O ATOM 291 CB ALA A 32 -0.230 3.442 -0.313 1.00 0.00 C ATOM 0 H ALA A 32 1.251 5.407 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.406 4.853 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.060 2.756 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.324 3.128 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.433 3.433 0.552 1.00 0.00 H new ATOM 297 N VAL A 33 -0.956 5.645 1.751 1.00 0.00 N ATOM 298 CA VAL A 33 -1.640 6.066 2.967 1.00 0.00 C ATOM 299 C VAL A 33 -2.496 7.303 2.702 1.00 0.00 C ATOM 300 O VAL A 33 -3.634 7.389 3.160 1.00 0.00 O ATOM 301 CB VAL A 33 -0.624 6.343 4.100 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.298 6.916 5.338 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.112 5.063 4.455 1.00 0.00 C ATOM 0 H VAL A 33 0.062 5.666 1.815 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.295 5.255 3.286 1.00 0.00 H new ATOM 0 HB VAL A 33 0.085 7.087 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.549 7.096 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.789 7.855 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.039 6.208 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.826 5.264 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.604 4.312 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.643 4.693 3.578 1.00 0.00 H new ATOM 313 N GLU A 34 -1.959 8.242 1.930 1.00 0.00 N ATOM 314 CA GLU A 34 -2.694 9.452 1.584 1.00 0.00 C ATOM 315 C GLU A 34 -3.870 9.124 0.658 1.00 0.00 C ATOM 316 O GLU A 34 -4.921 9.766 0.720 1.00 0.00 O ATOM 317 CB GLU A 34 -1.764 10.487 0.934 1.00 0.00 C ATOM 318 CG GLU A 34 -1.340 10.148 -0.486 1.00 0.00 C ATOM 319 CD GLU A 34 -0.449 11.205 -1.105 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.974 12.088 -1.815 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.779 11.156 -0.892 1.00 0.00 O ATOM 0 H GLU A 34 -1.021 8.188 1.534 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.092 9.883 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.265 11.455 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.872 10.593 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.815 9.193 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.229 10.022 -1.104 1.00 0.00 H new ATOM 328 N PHE A 35 -3.683 8.123 -0.198 1.00 0.00 N ATOM 329 CA PHE A 35 -4.726 7.694 -1.125 1.00 0.00 C ATOM 330 C PHE A 35 -5.841 6.972 -0.381 1.00 0.00 C ATOM 331 O PHE A 35 -7.020 7.228 -0.608 1.00 0.00 O ATOM 332 CB PHE A 35 -4.122 6.775 -2.196 1.00 0.00 C ATOM 333 CG PHE A 35 -5.131 6.141 -3.114 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.769 6.888 -4.090 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.434 4.792 -3.003 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.691 6.302 -4.936 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.354 4.201 -3.846 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.984 4.957 -4.815 1.00 0.00 C ATOM 0 H PHE A 35 -2.815 7.592 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.151 8.575 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.416 7.351 -2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.553 5.987 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.544 7.939 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.944 4.196 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.183 6.896 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.581 3.150 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.704 4.498 -5.477 1.00 0.00 H new ATOM 348 N LEU A 36 -5.456 6.101 0.537 1.00 0.00 N ATOM 349 CA LEU A 36 -6.406 5.327 1.321 1.00 0.00 C ATOM 350 C LEU A 36 -7.197 6.221 2.271 1.00 0.00 C ATOM 351 O LEU A 36 -8.348 5.933 2.601 1.00 0.00 O ATOM 352 CB LEU A 36 -5.668 4.246 2.102 1.00 0.00 C ATOM 353 CG LEU A 36 -4.947 3.199 1.248 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.214 2.203 2.130 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.928 2.480 0.337 1.00 0.00 C ATOM 0 H LEU A 36 -4.479 5.910 0.760 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.115 4.859 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.937 4.726 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.383 3.735 2.747 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.215 3.713 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.708 1.467 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.479 2.729 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.929 1.697 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.395 1.741 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.686 1.980 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.408 3.202 -0.323 1.00 0.00 H new ATOM 367 N LEU A 37 -6.568 7.301 2.712 1.00 0.00 N ATOM 368 CA LEU A 37 -7.183 8.214 3.669 1.00 0.00 C ATOM 369 C LEU A 37 -8.048 9.260 2.984 1.00 0.00 C ATOM 370 O LEU A 37 -8.591 10.149 3.640 1.00 0.00 O ATOM 371 CB LEU A 37 -6.107 8.908 4.501 1.00 0.00 C ATOM 372 CG LEU A 37 -5.730 8.188 5.790 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.513 8.837 6.427 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.911 8.211 6.746 1.00 0.00 C ATOM 0 H LEU A 37 -5.628 7.569 2.422 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.826 7.618 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.212 9.021 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.452 9.912 4.750 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.477 7.153 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.259 8.309 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.671 8.789 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.735 9.879 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.642 7.696 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.177 9.244 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.762 7.709 6.285 1.00 0.00 H new ATOM 386 N ASP A 38 -8.191 9.150 1.678 1.00 0.00 N ATOM 387 CA ASP A 38 -9.036 10.072 0.937 1.00 0.00 C ATOM 388 C ASP A 38 -10.503 9.739 1.175 1.00 0.00 C ATOM 389 O ASP A 38 -10.893 8.579 1.088 1.00 0.00 O ATOM 390 CB ASP A 38 -8.715 10.012 -0.555 1.00 0.00 C ATOM 391 CG ASP A 38 -9.650 10.861 -1.388 1.00 0.00 C ATOM 392 OD1 ASP A 38 -9.411 12.081 -1.505 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.624 10.311 -1.935 1.00 0.00 O ATOM 0 H ASP A 38 -7.737 8.436 1.108 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.841 11.085 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.689 10.344 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.772 8.977 -0.893 1.00 0.00 H new ATOM 398 N SER A 39 -11.306 10.757 1.469 1.00 0.00 N ATOM 399 CA SER A 39 -12.710 10.564 1.826 1.00 0.00 C ATOM 400 C SER A 39 -13.463 9.745 0.775 1.00 0.00 C ATOM 401 O SER A 39 -14.284 8.890 1.119 1.00 0.00 O ATOM 402 CB SER A 39 -13.383 11.922 2.025 1.00 0.00 C ATOM 403 OG SER A 39 -12.689 12.690 2.995 1.00 0.00 O ATOM 0 H SER A 39 -11.006 11.732 1.467 1.00 0.00 H new ATOM 0 HA SER A 39 -12.743 9.999 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.410 12.462 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.417 11.778 2.340 1.00 0.00 H new ATOM 0 HG SER A 39 -13.134 13.556 3.106 1.00 0.00 H new ATOM 409 N ARG A 40 -13.176 10.001 -0.499 1.00 0.00 N ATOM 410 CA ARG A 40 -13.811 9.264 -1.585 1.00 0.00 C ATOM 411 C ARG A 40 -13.325 7.825 -1.601 1.00 0.00 C ATOM 412 O ARG A 40 -14.121 6.886 -1.668 1.00 0.00 O ATOM 413 CB ARG A 40 -13.512 9.917 -2.935 1.00 0.00 C ATOM 414 CG ARG A 40 -14.045 11.330 -3.067 1.00 0.00 C ATOM 415 CD ARG A 40 -13.772 11.894 -4.449 1.00 0.00 C ATOM 416 NE ARG A 40 -14.443 13.172 -4.665 1.00 0.00 N ATOM 417 CZ ARG A 40 -14.073 14.057 -5.588 1.00 0.00 C ATOM 418 NH1 ARG A 40 -13.010 13.824 -6.347 1.00 0.00 N ATOM 419 NH2 ARG A 40 -14.769 15.177 -5.747 1.00 0.00 N ATOM 0 H ARG A 40 -12.510 10.711 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.888 9.281 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.433 9.931 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.940 9.303 -3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.118 11.336 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.583 11.968 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.698 12.023 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.103 11.180 -5.203 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.242 13.400 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.474 12.965 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.729 14.504 -7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.585 15.358 -5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.487 15.857 -6.454 1.00 0.00 H new ATOM 433 N VAL A 41 -12.013 7.662 -1.508 1.00 0.00 N ATOM 434 CA VAL A 41 -11.395 6.343 -1.556 1.00 0.00 C ATOM 435 C VAL A 41 -11.777 5.516 -0.332 1.00 0.00 C ATOM 436 O VAL A 41 -11.791 4.292 -0.376 1.00 0.00 O ATOM 437 CB VAL A 41 -9.859 6.445 -1.663 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.221 5.066 -1.763 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.469 7.298 -2.858 1.00 0.00 C ATOM 0 H VAL A 41 -11.352 8.431 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.769 5.843 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.488 6.921 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.139 5.170 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.470 4.485 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.598 4.554 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.383 7.361 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.860 6.847 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.884 8.299 -2.742 1.00 0.00 H new ATOM 449 N ARG A 42 -12.104 6.183 0.758 1.00 0.00 N ATOM 450 CA ARG A 42 -12.575 5.491 1.950 1.00 0.00 C ATOM 451 C ARG A 42 -13.920 4.806 1.702 1.00 0.00 C ATOM 452 O ARG A 42 -14.275 3.855 2.397 1.00 0.00 O ATOM 453 CB ARG A 42 -12.690 6.459 3.129 1.00 0.00 C ATOM 454 CG ARG A 42 -11.350 6.991 3.611 1.00 0.00 C ATOM 455 CD ARG A 42 -11.515 7.940 4.785 1.00 0.00 C ATOM 456 NE ARG A 42 -12.117 7.277 5.941 1.00 0.00 N ATOM 457 CZ ARG A 42 -12.496 7.910 7.050 1.00 0.00 C ATOM 458 NH1 ARG A 42 -12.336 9.222 7.162 1.00 0.00 N ATOM 459 NH2 ARG A 42 -13.042 7.227 8.046 1.00 0.00 N ATOM 0 H ARG A 42 -12.054 7.198 0.847 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.841 4.723 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.322 7.298 2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.190 5.954 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.711 6.158 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.847 7.507 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.542 8.345 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.137 8.783 4.485 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.255 6.267 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.921 9.752 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.628 9.701 8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.171 6.219 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.333 7.710 8.896 1.00 0.00 H new ATOM 473 N ARG A 43 -14.660 5.274 0.700 1.00 0.00 N ATOM 474 CA ARG A 43 -15.999 4.748 0.436 1.00 0.00 C ATOM 475 C ARG A 43 -16.019 3.763 -0.737 1.00 0.00 C ATOM 476 O ARG A 43 -17.086 3.324 -1.166 1.00 0.00 O ATOM 477 CB ARG A 43 -16.983 5.896 0.191 1.00 0.00 C ATOM 478 CG ARG A 43 -17.209 6.761 1.421 1.00 0.00 C ATOM 479 CD ARG A 43 -18.343 7.756 1.219 1.00 0.00 C ATOM 480 NE ARG A 43 -18.013 8.793 0.243 1.00 0.00 N ATOM 481 CZ ARG A 43 -18.925 9.531 -0.392 1.00 0.00 C ATOM 482 NH1 ARG A 43 -20.218 9.329 -0.174 1.00 0.00 N ATOM 483 NH2 ARG A 43 -18.543 10.478 -1.238 1.00 0.00 N ATOM 0 H ARG A 43 -14.359 6.010 0.061 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.308 4.194 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.609 6.520 -0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.938 5.485 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.434 6.123 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.292 7.300 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -19.235 7.223 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.585 8.224 2.173 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.029 8.962 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -20.518 8.607 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.912 9.896 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.550 10.643 -1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.242 11.041 -1.723 1.00 0.00 H new ATOM 497 N THR A 44 -14.847 3.413 -1.248 1.00 0.00 N ATOM 498 CA THR A 44 -14.741 2.401 -2.298 1.00 0.00 C ATOM 499 C THR A 44 -14.419 1.030 -1.679 1.00 0.00 C ATOM 500 O THR A 44 -14.098 0.956 -0.490 1.00 0.00 O ATOM 501 CB THR A 44 -13.635 2.784 -3.304 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.916 3.922 -2.815 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.203 3.101 -4.680 1.00 0.00 C ATOM 0 H THR A 44 -13.955 3.812 -0.955 1.00 0.00 H new ATOM 0 HA THR A 44 -15.695 2.346 -2.822 1.00 0.00 H new ATOM 0 HB THR A 44 -12.968 1.928 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.954 3.779 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.391 3.366 -5.357 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.728 2.228 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.898 3.937 -4.603 1.00 0.00 H new ATOM 511 N PRO A 45 -14.482 -0.072 -2.453 1.00 0.00 N ATOM 512 CA PRO A 45 -14.105 -1.402 -1.958 1.00 0.00 C ATOM 513 C PRO A 45 -12.596 -1.528 -1.755 1.00 0.00 C ATOM 514 O PRO A 45 -11.813 -0.784 -2.355 1.00 0.00 O ATOM 515 CB PRO A 45 -14.580 -2.345 -3.063 1.00 0.00 C ATOM 516 CG PRO A 45 -14.570 -1.513 -4.294 1.00 0.00 C ATOM 517 CD PRO A 45 -14.934 -0.121 -3.856 1.00 0.00 C ATOM 0 HA PRO A 45 -14.546 -1.619 -0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.919 -3.206 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.578 -2.731 -2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.588 -1.529 -4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.284 -1.891 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.436 0.634 -4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.006 0.058 -3.939 1.00 0.00 H new ATOM 525 N THR A 46 -12.198 -2.465 -0.910 1.00 0.00 N ATOM 526 CA THR A 46 -10.798 -2.656 -0.566 1.00 0.00 C ATOM 527 C THR A 46 -9.996 -3.187 -1.754 1.00 0.00 C ATOM 528 O THR A 46 -8.865 -2.761 -1.995 1.00 0.00 O ATOM 529 CB THR A 46 -10.672 -3.640 0.605 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.952 -3.803 1.235 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.666 -3.140 1.628 1.00 0.00 C ATOM 0 H THR A 46 -12.834 -3.113 -0.444 1.00 0.00 H new ATOM 0 HA THR A 46 -10.394 -1.684 -0.282 1.00 0.00 H new ATOM 0 HB THR A 46 -10.324 -4.597 0.215 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.871 -4.433 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.595 -3.855 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.690 -3.032 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.991 -2.174 2.016 1.00 0.00 H new ATOM 539 N SER A 47 -10.604 -4.103 -2.501 1.00 0.00 N ATOM 540 CA SER A 47 -9.940 -4.768 -3.617 1.00 0.00 C ATOM 541 C SER A 47 -9.465 -3.764 -4.665 1.00 0.00 C ATOM 542 O SER A 47 -8.399 -3.932 -5.260 1.00 0.00 O ATOM 543 CB SER A 47 -10.894 -5.784 -4.243 1.00 0.00 C ATOM 544 OG SER A 47 -11.493 -6.591 -3.240 1.00 0.00 O ATOM 0 H SER A 47 -11.567 -4.404 -2.351 1.00 0.00 H new ATOM 0 HA SER A 47 -9.058 -5.283 -3.237 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.667 -5.264 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.352 -6.414 -4.948 1.00 0.00 H new ATOM 0 HG SER A 47 -12.102 -7.235 -3.659 1.00 0.00 H new ATOM 550 N SER A 48 -10.247 -2.711 -4.865 1.00 0.00 N ATOM 551 CA SER A 48 -9.913 -1.674 -5.818 1.00 0.00 C ATOM 552 C SER A 48 -8.638 -0.949 -5.408 1.00 0.00 C ATOM 553 O SER A 48 -7.747 -0.716 -6.223 1.00 0.00 O ATOM 554 CB SER A 48 -11.071 -0.690 -5.896 1.00 0.00 C ATOM 555 OG SER A 48 -12.245 -1.324 -6.373 1.00 0.00 O ATOM 0 H SER A 48 -11.126 -2.557 -4.371 1.00 0.00 H new ATOM 0 HA SER A 48 -9.741 -2.127 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.258 -0.264 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.807 0.137 -6.555 1.00 0.00 H new ATOM 0 HG SER A 48 -12.943 -0.652 -6.519 1.00 0.00 H new ATOM 561 N LYS A 49 -8.558 -0.622 -4.129 1.00 0.00 N ATOM 562 CA LYS A 49 -7.423 0.111 -3.587 1.00 0.00 C ATOM 563 C LYS A 49 -6.151 -0.705 -3.720 1.00 0.00 C ATOM 564 O LYS A 49 -5.117 -0.199 -4.149 1.00 0.00 O ATOM 565 CB LYS A 49 -7.664 0.428 -2.118 1.00 0.00 C ATOM 566 CG LYS A 49 -9.055 0.950 -1.842 1.00 0.00 C ATOM 567 CD LYS A 49 -9.253 1.304 -0.381 1.00 0.00 C ATOM 568 CE LYS A 49 -10.726 1.306 -0.033 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.544 1.861 -1.135 1.00 0.00 N ATOM 0 H LYS A 49 -9.273 -0.855 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.312 1.038 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.497 -0.472 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.934 1.167 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.239 1.831 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.788 0.199 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.725 0.587 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.823 2.285 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.051 0.289 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.886 1.893 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.546 1.863 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.239 2.834 -1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.423 1.276 -1.986 1.00 0.00 H new ATOM 583 N VAL A 50 -6.245 -1.979 -3.366 1.00 0.00 N ATOM 584 CA VAL A 50 -5.088 -2.868 -3.397 1.00 0.00 C ATOM 585 C VAL A 50 -4.560 -3.010 -4.819 1.00 0.00 C ATOM 586 O VAL A 50 -3.353 -2.933 -5.058 1.00 0.00 O ATOM 587 CB VAL A 50 -5.426 -4.265 -2.834 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.212 -5.181 -2.894 1.00 0.00 C ATOM 589 CG2 VAL A 50 -5.941 -4.157 -1.407 1.00 0.00 C ATOM 0 H VAL A 50 -7.109 -2.422 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.321 -2.419 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.212 -4.699 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.474 -6.160 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.888 -5.289 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.403 -4.751 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.174 -5.152 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.178 -3.699 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.841 -3.543 -1.391 1.00 0.00 H new ATOM 599 N HIS A 51 -5.474 -3.197 -5.762 1.00 0.00 N ATOM 600 CA HIS A 51 -5.107 -3.323 -7.170 1.00 0.00 C ATOM 601 C HIS A 51 -4.501 -2.020 -7.680 1.00 0.00 C ATOM 602 O HIS A 51 -3.546 -2.026 -8.457 1.00 0.00 O ATOM 603 CB HIS A 51 -6.327 -3.701 -8.022 1.00 0.00 C ATOM 604 CG HIS A 51 -6.848 -5.088 -7.773 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.790 -5.692 -8.581 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.568 -5.985 -6.797 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.063 -6.894 -8.112 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.336 -7.098 -7.031 1.00 0.00 N ATOM 0 H HIS A 51 -6.475 -3.265 -5.580 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.365 -4.117 -7.255 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.126 -2.985 -7.829 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.063 -3.608 -9.075 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.869 -5.849 -5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.764 -7.594 -8.541 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.343 -7.944 -6.462 1.00 0.00 H new ATOM 617 N PHE A 52 -5.055 -0.904 -7.223 1.00 0.00 N ATOM 618 CA PHE A 52 -4.588 0.412 -7.637 1.00 0.00 C ATOM 619 C PHE A 52 -3.196 0.692 -7.077 1.00 0.00 C ATOM 620 O PHE A 52 -2.327 1.201 -7.784 1.00 0.00 O ATOM 621 CB PHE A 52 -5.573 1.491 -7.177 1.00 0.00 C ATOM 622 CG PHE A 52 -5.291 2.855 -7.741 1.00 0.00 C ATOM 623 CD1 PHE A 52 -5.768 3.213 -8.992 1.00 0.00 C ATOM 624 CD2 PHE A 52 -4.555 3.781 -7.019 1.00 0.00 C ATOM 625 CE1 PHE A 52 -5.514 4.466 -9.512 1.00 0.00 C ATOM 626 CE2 PHE A 52 -4.298 5.036 -7.536 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.778 5.379 -8.783 1.00 0.00 C ATOM 0 H PHE A 52 -5.832 -0.885 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.529 0.430 -8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.582 1.193 -7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.552 1.547 -6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.345 2.503 -9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.178 3.519 -6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.891 4.732 -10.489 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.722 5.748 -6.964 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.578 6.360 -9.188 1.00 0.00 H new ATOM 637 N LEU A 53 -2.987 0.355 -5.808 1.00 0.00 N ATOM 638 CA LEU A 53 -1.695 0.559 -5.160 1.00 0.00 C ATOM 639 C LEU A 53 -0.630 -0.334 -5.784 1.00 0.00 C ATOM 640 O LEU A 53 0.514 0.082 -5.963 1.00 0.00 O ATOM 641 CB LEU A 53 -1.793 0.296 -3.656 1.00 0.00 C ATOM 642 CG LEU A 53 -2.723 1.242 -2.891 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.690 0.936 -1.403 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.344 2.693 -3.144 1.00 0.00 C ATOM 0 H LEU A 53 -3.698 -0.062 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.405 1.599 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.135 -0.727 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.794 0.366 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.739 1.086 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.357 1.618 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.015 -0.091 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.674 1.060 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.018 3.347 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.320 2.864 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.422 2.909 -4.209 1.00 0.00 H new ATOM 656 N LYS A 54 -1.011 -1.559 -6.120 1.00 0.00 N ATOM 657 CA LYS A 54 -0.121 -2.458 -6.840 1.00 0.00 C ATOM 658 C LYS A 54 0.259 -1.841 -8.185 1.00 0.00 C ATOM 659 O LYS A 54 1.414 -1.895 -8.609 1.00 0.00 O ATOM 660 CB LYS A 54 -0.795 -3.821 -7.046 1.00 0.00 C ATOM 661 CG LYS A 54 -0.070 -4.744 -8.025 1.00 0.00 C ATOM 662 CD LYS A 54 1.386 -4.976 -7.642 1.00 0.00 C ATOM 663 CE LYS A 54 1.523 -5.760 -6.349 1.00 0.00 C ATOM 664 NZ LYS A 54 2.950 -5.950 -5.976 1.00 0.00 N ATOM 0 H LYS A 54 -1.928 -1.952 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 54 0.785 -2.608 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.872 -4.323 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.812 -3.659 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.588 -5.702 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.115 -4.314 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.890 -5.513 -8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.889 -4.015 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.003 -5.236 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.042 -6.732 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.012 -6.574 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.462 -6.381 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.375 -5.028 -5.749 1.00 0.00 H new ATOM 678 N SER A 55 -0.723 -1.225 -8.831 1.00 0.00 N ATOM 679 CA SER A 55 -0.512 -0.573 -10.114 1.00 0.00 C ATOM 680 C SER A 55 0.370 0.665 -9.940 1.00 0.00 C ATOM 681 O SER A 55 0.987 1.146 -10.893 1.00 0.00 O ATOM 682 CB SER A 55 -1.863 -0.194 -10.736 1.00 0.00 C ATOM 683 OG SER A 55 -1.716 0.264 -12.072 1.00 0.00 O ATOM 0 H SER A 55 -1.680 -1.164 -8.483 1.00 0.00 H new ATOM 0 HA SER A 55 -0.002 -1.264 -10.785 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.527 -1.058 -10.719 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.335 0.583 -10.135 1.00 0.00 H new ATOM 0 HG SER A 55 -2.596 0.495 -12.437 1.00 0.00 H new ATOM 689 N LYS A 56 0.439 1.166 -8.711 1.00 0.00 N ATOM 690 CA LYS A 56 1.287 2.300 -8.388 1.00 0.00 C ATOM 691 C LYS A 56 2.729 1.856 -8.169 1.00 0.00 C ATOM 692 O LYS A 56 3.626 2.684 -8.016 1.00 0.00 O ATOM 693 CB LYS A 56 0.774 3.008 -7.136 1.00 0.00 C ATOM 694 CG LYS A 56 -0.546 3.732 -7.330 1.00 0.00 C ATOM 695 CD LYS A 56 -0.890 4.607 -6.134 1.00 0.00 C ATOM 696 CE LYS A 56 0.033 5.814 -6.033 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.101 6.718 -7.208 1.00 0.00 N ATOM 0 H LYS A 56 -0.088 0.799 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 56 1.257 2.991 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.660 2.274 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.524 3.726 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.495 4.347 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.341 3.003 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.923 4.945 -6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.819 4.018 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.193 6.368 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.066 5.475 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.294 7.652 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.416 6.316 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.106 6.819 -7.455 1.00 0.00 H new ATOM 711 N GLY A 57 2.943 0.547 -8.143 1.00 0.00 N ATOM 712 CA GLY A 57 4.281 0.019 -7.977 1.00 0.00 C ATOM 713 C GLY A 57 4.551 -0.465 -6.568 1.00 0.00 C ATOM 714 O GLY A 57 5.695 -0.758 -6.217 1.00 0.00 O ATOM 0 H GLY A 57 2.212 -0.159 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.430 -0.805 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.006 0.791 -8.236 1.00 0.00 H new ATOM 718 N LEU A 58 3.505 -0.549 -5.756 1.00 0.00 N ATOM 719 CA LEU A 58 3.653 -1.007 -4.381 1.00 0.00 C ATOM 720 C LEU A 58 3.679 -2.522 -4.292 1.00 0.00 C ATOM 721 O LEU A 58 2.995 -3.219 -5.044 1.00 0.00 O ATOM 722 CB LEU A 58 2.525 -0.489 -3.495 1.00 0.00 C ATOM 723 CG LEU A 58 2.744 0.893 -2.876 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.412 1.996 -3.870 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.922 1.029 -1.608 1.00 0.00 C ATOM 0 H LEU A 58 2.551 -0.308 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 58 4.605 -0.609 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.609 -0.461 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.363 -1.205 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 58 3.798 0.996 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.576 2.967 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.053 1.901 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.368 1.911 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.084 2.016 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.865 0.905 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.226 0.264 -0.894 1.00 0.00 H new ATOM 737 N SER A 59 4.466 -3.021 -3.359 1.00 0.00 N ATOM 738 CA SER A 59 4.537 -4.441 -3.089 1.00 0.00 C ATOM 739 C SER A 59 3.434 -4.846 -2.117 1.00 0.00 C ATOM 740 O SER A 59 2.836 -3.989 -1.464 1.00 0.00 O ATOM 741 CB SER A 59 5.907 -4.773 -2.503 1.00 0.00 C ATOM 742 OG SER A 59 6.936 -4.181 -3.276 1.00 0.00 O ATOM 0 H SER A 59 5.073 -2.453 -2.768 1.00 0.00 H new ATOM 0 HA SER A 59 4.398 -4.995 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.965 -4.415 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.043 -5.854 -2.473 1.00 0.00 H new ATOM 0 HG SER A 59 7.080 -3.259 -2.978 1.00 0.00 H new ATOM 748 N ALA A 60 3.172 -6.147 -2.013 1.00 0.00 N ATOM 749 CA ALA A 60 2.152 -6.654 -1.098 1.00 0.00 C ATOM 750 C ALA A 60 2.467 -6.236 0.333 1.00 0.00 C ATOM 751 O ALA A 60 1.571 -5.934 1.119 1.00 0.00 O ATOM 752 CB ALA A 60 2.054 -8.173 -1.202 1.00 0.00 C ATOM 0 H ALA A 60 3.652 -6.869 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 60 1.190 -6.226 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.290 -8.536 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.787 -8.451 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.015 -8.618 -0.944 1.00 0.00 H new ATOM 758 N GLU A 61 3.755 -6.201 0.644 1.00 0.00 N ATOM 759 CA GLU A 61 4.232 -5.772 1.951 1.00 0.00 C ATOM 760 C GLU A 61 3.861 -4.313 2.209 1.00 0.00 C ATOM 761 O GLU A 61 3.318 -3.966 3.259 1.00 0.00 O ATOM 762 CB GLU A 61 5.749 -5.921 2.012 1.00 0.00 C ATOM 763 CG GLU A 61 6.253 -7.329 1.743 1.00 0.00 C ATOM 764 CD GLU A 61 6.069 -8.263 2.917 1.00 0.00 C ATOM 765 OE1 GLU A 61 6.008 -7.782 4.069 1.00 0.00 O ATOM 766 OE2 GLU A 61 6.023 -9.490 2.695 1.00 0.00 O ATOM 0 H GLU A 61 4.498 -6.469 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 61 3.763 -6.395 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.198 -5.243 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.093 -5.607 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.729 -7.736 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.311 -7.286 1.484 1.00 0.00 H new ATOM 773 N GLU A 62 4.156 -3.470 1.227 1.00 0.00 N ATOM 774 CA GLU A 62 3.928 -2.035 1.333 1.00 0.00 C ATOM 775 C GLU A 62 2.442 -1.719 1.444 1.00 0.00 C ATOM 776 O GLU A 62 2.032 -0.902 2.269 1.00 0.00 O ATOM 777 CB GLU A 62 4.521 -1.331 0.118 1.00 0.00 C ATOM 778 CG GLU A 62 6.010 -1.574 -0.043 1.00 0.00 C ATOM 779 CD GLU A 62 6.561 -0.979 -1.316 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.959 0.201 -1.301 1.00 0.00 O ATOM 781 OE2 GLU A 62 6.593 -1.691 -2.342 1.00 0.00 O ATOM 0 H GLU A 62 4.559 -3.762 0.337 1.00 0.00 H new ATOM 0 HA GLU A 62 4.417 -1.676 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.004 -1.671 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.341 -0.259 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.538 -1.149 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.202 -2.647 -0.035 1.00 0.00 H new ATOM 788 N ILE A 63 1.643 -2.375 0.612 1.00 0.00 N ATOM 789 CA ILE A 63 0.195 -2.198 0.634 1.00 0.00 C ATOM 790 C ILE A 63 -0.364 -2.580 2.004 1.00 0.00 C ATOM 791 O ILE A 63 -1.216 -1.883 2.558 1.00 0.00 O ATOM 792 CB ILE A 63 -0.486 -3.046 -0.462 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.081 -2.690 -1.838 1.00 0.00 C ATOM 794 CG2 ILE A 63 -1.993 -2.834 -0.441 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.380 -3.612 -2.947 1.00 0.00 C ATOM 0 H ILE A 63 1.974 -3.037 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.017 -1.147 0.438 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.282 -4.098 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.206 -1.668 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.170 -2.712 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.456 -3.439 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.388 -3.129 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.215 -1.782 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.064 -3.296 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.070 -4.633 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.466 -3.572 -3.025 1.00 0.00 H new ATOM 807 N CYS A 64 0.154 -3.674 2.552 1.00 0.00 N ATOM 808 CA CYS A 64 -0.247 -4.152 3.867 1.00 0.00 C ATOM 809 C CYS A 64 0.026 -3.092 4.930 1.00 0.00 C ATOM 810 O CYS A 64 -0.816 -2.825 5.795 1.00 0.00 O ATOM 811 CB CYS A 64 0.507 -5.444 4.203 1.00 0.00 C ATOM 812 SG CYS A 64 0.193 -6.090 5.861 1.00 0.00 S ATOM 0 H CYS A 64 0.861 -4.252 2.098 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.318 -4.356 3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.237 -6.207 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.576 -5.264 4.094 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.054 -5.897 6.173 1.00 0.00 H new ATOM 818 N GLU A 65 1.203 -2.482 4.857 1.00 0.00 N ATOM 819 CA GLU A 65 1.595 -1.478 5.817 1.00 0.00 C ATOM 820 C GLU A 65 0.753 -0.217 5.670 1.00 0.00 C ATOM 821 O GLU A 65 0.261 0.321 6.662 1.00 0.00 O ATOM 822 CB GLU A 65 3.074 -1.151 5.665 1.00 0.00 C ATOM 823 CG GLU A 65 3.509 -0.019 6.563 1.00 0.00 C ATOM 824 CD GLU A 65 5.010 0.086 6.700 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.587 1.097 6.254 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.624 -0.842 7.269 1.00 0.00 O ATOM 0 H GLU A 65 1.900 -2.672 4.137 1.00 0.00 H new ATOM 0 HA GLU A 65 1.424 -1.880 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.665 -2.039 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.280 -0.888 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.120 0.920 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.069 -0.157 7.551 1.00 0.00 H new ATOM 833 N ALA A 66 0.573 0.235 4.433 1.00 0.00 N ATOM 834 CA ALA A 66 -0.189 1.446 4.160 1.00 0.00 C ATOM 835 C ALA A 66 -1.588 1.335 4.736 1.00 0.00 C ATOM 836 O ALA A 66 -2.069 2.258 5.390 1.00 0.00 O ATOM 837 CB ALA A 66 -0.262 1.709 2.664 1.00 0.00 C ATOM 0 H ALA A 66 0.947 -0.222 3.601 1.00 0.00 H new ATOM 0 HA ALA A 66 0.322 2.283 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.835 2.618 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.746 1.830 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.749 0.868 2.170 1.00 0.00 H new ATOM 843 N PHE A 67 -2.221 0.191 4.517 1.00 0.00 N ATOM 844 CA PHE A 67 -3.553 -0.050 5.045 1.00 0.00 C ATOM 845 C PHE A 67 -3.560 0.039 6.564 1.00 0.00 C ATOM 846 O PHE A 67 -4.426 0.678 7.159 1.00 0.00 O ATOM 847 CB PHE A 67 -4.072 -1.414 4.597 1.00 0.00 C ATOM 848 CG PHE A 67 -4.873 -1.360 3.331 1.00 0.00 C ATOM 849 CD1 PHE A 67 -6.231 -1.087 3.373 1.00 0.00 C ATOM 850 CD2 PHE A 67 -4.276 -1.578 2.102 1.00 0.00 C ATOM 851 CE1 PHE A 67 -6.976 -1.035 2.214 1.00 0.00 C ATOM 852 CE2 PHE A 67 -5.017 -1.527 0.939 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.370 -1.254 0.995 1.00 0.00 C ATOM 0 H PHE A 67 -1.833 -0.583 3.978 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.213 0.722 4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.227 -2.087 4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.688 -1.838 5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.711 -0.913 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.218 -1.790 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.034 -0.823 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.540 -1.700 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.952 -1.212 0.086 1.00 0.00 H new ATOM 863 N THR A 68 -2.577 -0.578 7.191 1.00 0.00 N ATOM 864 CA THR A 68 -2.509 -0.592 8.639 1.00 0.00 C ATOM 865 C THR A 68 -2.297 0.822 9.182 1.00 0.00 C ATOM 866 O THR A 68 -2.816 1.178 10.243 1.00 0.00 O ATOM 867 CB THR A 68 -1.389 -1.526 9.131 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.492 -2.801 8.475 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.482 -1.727 10.635 1.00 0.00 C ATOM 0 H THR A 68 -1.818 -1.074 6.723 1.00 0.00 H new ATOM 0 HA THR A 68 -3.459 -0.972 9.015 1.00 0.00 H new ATOM 0 HB THR A 68 -0.430 -1.066 8.893 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.189 -2.717 7.547 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.682 -2.390 10.964 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.385 -0.765 11.137 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.446 -2.171 10.884 1.00 0.00 H new ATOM 877 N LYS A 69 -1.569 1.637 8.428 1.00 0.00 N ATOM 878 CA LYS A 69 -1.290 3.009 8.832 1.00 0.00 C ATOM 879 C LYS A 69 -2.532 3.890 8.729 1.00 0.00 C ATOM 880 O LYS A 69 -2.706 4.814 9.519 1.00 0.00 O ATOM 881 CB LYS A 69 -0.159 3.601 7.991 1.00 0.00 C ATOM 882 CG LYS A 69 1.162 2.869 8.167 1.00 0.00 C ATOM 883 CD LYS A 69 2.328 3.833 8.325 1.00 0.00 C ATOM 884 CE LYS A 69 2.578 4.625 7.058 1.00 0.00 C ATOM 885 NZ LYS A 69 3.738 5.547 7.192 1.00 0.00 N ATOM 0 H LYS A 69 -1.161 1.371 7.532 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.980 2.982 9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.444 3.575 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.025 4.649 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.105 2.222 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.338 2.225 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.124 4.518 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.227 3.276 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.756 3.938 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.686 5.200 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.872 6.068 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.559 6.221 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.595 4.998 7.404 1.00 0.00 H new ATOM 899 N VAL A 70 -3.400 3.596 7.769 1.00 0.00 N ATOM 900 CA VAL A 70 -4.592 4.412 7.556 1.00 0.00 C ATOM 901 C VAL A 70 -5.704 4.032 8.528 1.00 0.00 C ATOM 902 O VAL A 70 -6.756 4.671 8.561 1.00 0.00 O ATOM 903 CB VAL A 70 -5.115 4.310 6.105 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.001 4.622 5.124 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.721 2.943 5.812 1.00 0.00 C ATOM 0 H VAL A 70 -3.304 2.807 7.130 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.295 5.445 7.740 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.910 5.046 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.382 4.547 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.633 5.633 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.186 3.911 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.076 2.916 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.965 2.171 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.557 2.763 6.488 1.00 0.00 H new ATOM 915 N GLY A 71 -5.457 3.005 9.331 1.00 0.00 N ATOM 916 CA GLY A 71 -6.442 2.574 10.303 1.00 0.00 C ATOM 917 C GLY A 71 -7.225 1.368 9.831 1.00 0.00 C ATOM 918 O GLY A 71 -8.301 1.070 10.351 1.00 0.00 O ATOM 0 H GLY A 71 -4.593 2.463 9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.942 2.335 11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.130 3.394 10.508 1.00 0.00 H new ATOM 922 N GLN A 72 -6.685 0.673 8.842 1.00 0.00 N ATOM 923 CA GLN A 72 -7.314 -0.526 8.318 1.00 0.00 C ATOM 924 C GLN A 72 -6.312 -1.677 8.339 1.00 0.00 C ATOM 925 O GLN A 72 -5.569 -1.884 7.384 1.00 0.00 O ATOM 926 CB GLN A 72 -7.803 -0.272 6.887 1.00 0.00 C ATOM 927 CG GLN A 72 -8.544 -1.442 6.265 1.00 0.00 C ATOM 928 CD GLN A 72 -9.877 -1.703 6.927 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.970 -2.470 7.885 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.916 -1.059 6.426 1.00 0.00 N ATOM 0 H GLN A 72 -5.808 0.922 8.385 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.170 -0.790 8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.458 0.599 6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.946 -0.025 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.701 -1.245 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.926 -2.337 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.793 -0.432 5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.842 -1.188 6.835 1.00 0.00 H new ATOM 939 N PRO A 73 -6.277 -2.443 9.430 1.00 0.00 N ATOM 940 CA PRO A 73 -5.288 -3.500 9.600 1.00 0.00 C ATOM 941 C PRO A 73 -5.569 -4.715 8.727 1.00 0.00 C ATOM 942 O PRO A 73 -6.390 -5.572 9.060 1.00 0.00 O ATOM 943 CB PRO A 73 -5.391 -3.861 11.075 1.00 0.00 C ATOM 944 CG PRO A 73 -6.781 -3.488 11.468 1.00 0.00 C ATOM 945 CD PRO A 73 -7.184 -2.336 10.584 1.00 0.00 C ATOM 0 HA PRO A 73 -4.293 -3.169 9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.207 -4.923 11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.654 -3.318 11.667 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.460 -4.331 11.339 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.823 -3.203 12.519 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.228 -2.411 10.280 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.069 -1.380 11.096 1.00 0.00 H new ATOM 953 N LYS A 74 -4.899 -4.760 7.593 1.00 0.00 N ATOM 954 CA LYS A 74 -4.956 -5.907 6.705 1.00 0.00 C ATOM 955 C LYS A 74 -3.641 -6.657 6.786 1.00 0.00 C ATOM 956 O LYS A 74 -2.578 -6.041 6.826 1.00 0.00 O ATOM 957 CB LYS A 74 -5.207 -5.469 5.259 1.00 0.00 C ATOM 958 CG LYS A 74 -6.563 -4.822 5.023 1.00 0.00 C ATOM 959 CD LYS A 74 -7.705 -5.792 5.285 1.00 0.00 C ATOM 960 CE LYS A 74 -9.034 -5.211 4.835 1.00 0.00 C ATOM 961 NZ LYS A 74 -10.174 -6.116 5.140 1.00 0.00 N ATOM 0 H LYS A 74 -4.300 -4.004 7.260 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.779 -6.551 7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.427 -4.767 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.115 -6.338 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.669 -3.952 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.620 -4.462 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.518 -6.728 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.749 -6.027 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.193 -4.251 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.001 -5.020 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.060 -5.679 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.037 -7.024 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.223 -6.278 6.166 1.00 0.00 H new ATOM 975 N THR A 75 -3.706 -7.973 6.828 1.00 0.00 N ATOM 976 CA THR A 75 -2.500 -8.776 6.884 1.00 0.00 C ATOM 977 C THR A 75 -1.916 -8.957 5.491 1.00 0.00 C ATOM 978 O THR A 75 -2.559 -8.630 4.489 1.00 0.00 O ATOM 979 CB THR A 75 -2.772 -10.156 7.513 1.00 0.00 C ATOM 980 OG1 THR A 75 -3.826 -10.817 6.805 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.146 -10.018 8.981 1.00 0.00 C ATOM 0 H THR A 75 -4.575 -8.507 6.824 1.00 0.00 H new ATOM 0 HA THR A 75 -1.783 -8.247 7.511 1.00 0.00 H new ATOM 0 HB THR A 75 -1.860 -10.750 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.992 -11.694 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.333 -11.005 9.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.328 -9.541 9.522 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.045 -9.408 9.072 1.00 0.00 H new ATOM 989 N LEU A 76 -0.702 -9.480 5.432 1.00 0.00 N ATOM 990 CA LEU A 76 -0.032 -9.722 4.168 1.00 0.00 C ATOM 991 C LEU A 76 -0.816 -10.740 3.356 1.00 0.00 C ATOM 992 O LEU A 76 -0.875 -10.672 2.127 1.00 0.00 O ATOM 993 CB LEU A 76 1.387 -10.228 4.429 1.00 0.00 C ATOM 994 CG LEU A 76 2.200 -10.566 3.182 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.455 -9.315 2.357 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.509 -11.238 3.568 1.00 0.00 C ATOM 0 H LEU A 76 -0.158 -9.746 6.253 1.00 0.00 H new ATOM 0 HA LEU A 76 0.023 -8.792 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.926 -9.471 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.328 -11.118 5.056 1.00 0.00 H new ATOM 0 HG LEU A 76 1.627 -11.263 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.036 -9.575 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.503 -8.880 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.009 -8.591 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.077 -11.473 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.091 -10.566 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.299 -12.158 4.114 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.434 -11.671 4.071 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.253 -12.705 3.462 1.00 0.00 C ATOM 1010 C ASN A 77 -3.408 -12.094 2.694 1.00 0.00 C ATOM 1011 O ASN A 77 -3.687 -12.483 1.559 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.798 -13.639 4.540 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.642 -14.760 3.964 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -3.123 -15.802 3.566 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.952 -14.560 3.924 1.00 0.00 N ATOM 0 H ASN A 77 -1.380 -11.729 5.088 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.630 -13.269 2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.966 -14.066 5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.397 -13.064 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.567 -15.284 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.344 -13.682 4.264 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.065 -11.127 3.318 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.213 -10.470 2.708 1.00 0.00 C ATOM 1024 C GLU A 78 -4.800 -9.796 1.418 1.00 0.00 C ATOM 1025 O GLU A 78 -5.447 -9.962 0.391 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.830 -9.434 3.652 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.272 -10.006 4.986 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.154 -11.227 4.837 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.384 -11.063 4.687 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -6.623 -12.356 4.861 1.00 0.00 O ATOM 0 H GLU A 78 -3.823 -10.780 4.246 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.962 -11.234 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.104 -8.641 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.689 -8.976 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.392 -10.269 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.811 -9.240 5.544 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.698 -9.064 1.472 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.215 -8.325 0.317 1.00 0.00 C ATOM 1039 C ILE A 79 -2.914 -9.271 -0.846 1.00 0.00 C ATOM 1040 O ILE A 79 -3.321 -9.020 -1.980 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.955 -7.504 0.663 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.223 -6.594 1.870 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.503 -6.682 -0.535 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.409 -5.665 1.695 1.00 0.00 C ATOM 0 H ILE A 79 -3.120 -8.966 2.307 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.004 -7.635 0.018 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.155 -8.197 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.389 -7.215 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.333 -5.996 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.613 -6.111 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.272 -7.348 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.299 -5.998 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.530 -5.057 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.239 -5.016 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.312 -6.254 1.532 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.222 -10.369 -0.554 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.895 -11.366 -1.572 1.00 0.00 C ATOM 1058 C LYS A 80 -3.154 -12.015 -2.126 1.00 0.00 C ATOM 1059 O LYS A 80 -3.259 -12.267 -3.328 1.00 0.00 O ATOM 1060 CB LYS A 80 -0.971 -12.439 -0.997 1.00 0.00 C ATOM 1061 CG LYS A 80 0.377 -11.898 -0.568 1.00 0.00 C ATOM 1062 CD LYS A 80 1.329 -13.014 -0.176 1.00 0.00 C ATOM 1063 CE LYS A 80 2.741 -12.493 0.041 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.403 -12.120 -1.239 1.00 0.00 N ATOM 0 H LYS A 80 -1.876 -10.592 0.379 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.382 -10.853 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.457 -12.907 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.821 -13.219 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.812 -11.317 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.246 -11.219 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.973 -13.493 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.337 -13.777 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.709 -11.624 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.334 -13.255 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.411 -11.933 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.307 -12.900 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.954 -11.266 -1.626 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.100 -12.285 -1.242 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.375 -12.875 -1.633 1.00 0.00 C ATOM 1080 C ARG A 81 -6.157 -11.924 -2.530 1.00 0.00 C ATOM 1081 O ARG A 81 -6.735 -12.332 -3.537 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.207 -13.217 -0.398 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.556 -13.830 -0.728 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.404 -15.197 -1.372 1.00 0.00 C ATOM 1085 NE ARG A 81 -8.695 -15.799 -1.694 1.00 0.00 N ATOM 1086 CZ ARG A 81 -8.837 -16.978 -2.293 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -7.770 -17.688 -2.638 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -10.051 -17.450 -2.552 1.00 0.00 N ATOM 0 H ARG A 81 -4.010 -12.105 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.166 -13.790 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.645 -13.910 0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.362 -12.311 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.149 -13.920 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.103 -13.169 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.811 -15.105 -2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.855 -15.855 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.539 -15.284 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.835 -17.330 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.885 -18.592 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.875 -16.908 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.159 -18.354 -3.011 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.172 -10.657 -2.155 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.873 -9.634 -2.916 1.00 0.00 C ATOM 1104 C ILE A 82 -6.204 -9.421 -4.277 1.00 0.00 C ATOM 1105 O ILE A 82 -6.867 -9.107 -5.269 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.926 -8.307 -2.123 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.745 -8.499 -0.841 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.525 -7.193 -2.969 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.529 -7.421 0.204 1.00 0.00 C ATOM 0 H ILE A 82 -5.702 -10.308 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.895 -9.974 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.908 -8.021 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.803 -8.530 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.495 -9.466 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.552 -6.270 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.915 -7.045 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.538 -7.465 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.145 -7.633 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.479 -7.403 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.807 -6.452 -0.210 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.889 -9.608 -4.321 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.133 -9.487 -5.566 1.00 0.00 C ATOM 1123 C LEU A 83 -4.232 -10.758 -6.406 1.00 0.00 C ATOM 1124 O LEU A 83 -3.752 -10.803 -7.539 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.663 -9.174 -5.271 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.391 -7.769 -4.736 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -0.942 -7.634 -4.303 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.729 -6.726 -5.790 1.00 0.00 C ATOM 0 H LEU A 83 -4.322 -9.845 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.569 -8.667 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.292 -9.899 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.088 -9.315 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.027 -7.603 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.768 -6.627 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.728 -8.359 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.289 -7.820 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.530 -5.730 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.117 -6.893 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.783 -6.806 -6.056 1.00 0.00 H new ATOM 1140 N SER A 84 -4.839 -11.792 -5.846 1.00 0.00 N ATOM 1141 CA SER A 84 -5.045 -13.032 -6.572 1.00 0.00 C ATOM 1142 C SER A 84 -6.258 -12.896 -7.493 1.00 0.00 C ATOM 1143 O SER A 84 -6.079 -12.469 -8.653 1.00 0.00 O ATOM 1144 CB SER A 84 -5.227 -14.197 -5.591 1.00 0.00 C ATOM 1145 OG SER A 84 -5.197 -15.450 -6.259 1.00 0.00 O ATOM 1146 OXT SER A 84 -7.387 -13.199 -7.054 1.00 0.00 O ATOM 0 H SER A 84 -5.197 -11.796 -4.891 1.00 0.00 H new ATOM 0 HA SER A 84 -4.168 -13.241 -7.184 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.440 -14.166 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.175 -14.086 -5.065 1.00 0.00 H new ATOM 0 HG SER A 84 -5.314 -16.172 -5.606 1.00 0.00 H new