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 Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00271) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.13 K(o=1.1,f=-0.04) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 38:sc= 0.921 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -170:sc= -1.6! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.2 K(o=1.2,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 1 (180deg=0.701) USER MOD Single : A 55 SER OG : rot 77:sc= 1.14 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.0429 (180deg=-0.418) USER MOD Single : A 59 SER OG : rot 108:sc= 1.27 USER MOD Single : A 64 CYS SG : rot 42:sc= 1.18 USER MOD Single : A 68 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc=-0.00286 (180deg=-0.0667) USER MOD Single : A 72 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -77:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.214 6.364 0.194 1.00 0.00 N ATOM 201 CA LYS A 27 7.354 7.324 -0.482 1.00 0.00 C ATOM 202 C LYS A 27 6.080 6.650 -0.990 1.00 0.00 C ATOM 203 O LYS A 27 5.011 7.255 -0.978 1.00 0.00 O ATOM 204 CB LYS A 27 8.101 8.025 -1.621 1.00 0.00 C ATOM 205 CG LYS A 27 8.541 7.099 -2.740 1.00 0.00 C ATOM 206 CD LYS A 27 9.542 7.774 -3.669 1.00 0.00 C ATOM 207 CE LYS A 27 8.952 8.979 -4.385 1.00 0.00 C ATOM 208 NZ LYS A 27 7.946 8.590 -5.407 1.00 0.00 N ATOM 0 HA LYS A 27 7.064 8.085 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.459 8.801 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.979 8.524 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.988 6.201 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.670 6.781 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.413 8.088 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.892 7.052 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.487 9.641 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.753 9.543 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.597 9.441 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.385 7.952 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.151 8.104 -4.944 1.00 0.00 H new ATOM 222 N ARG A 28 6.192 5.395 -1.420 1.00 0.00 N ATOM 223 CA ARG A 28 5.027 4.648 -1.888 1.00 0.00 C ATOM 224 C ARG A 28 4.057 4.387 -0.743 1.00 0.00 C ATOM 225 O ARG A 28 2.846 4.507 -0.912 1.00 0.00 O ATOM 226 CB ARG A 28 5.434 3.325 -2.542 1.00 0.00 C ATOM 227 CG ARG A 28 6.158 3.494 -3.870 1.00 0.00 C ATOM 228 CD ARG A 28 6.371 2.162 -4.574 1.00 0.00 C ATOM 229 NE ARG A 28 7.079 1.188 -3.741 1.00 0.00 N ATOM 230 CZ ARG A 28 8.216 0.582 -4.090 1.00 0.00 C ATOM 231 NH1 ARG A 28 8.827 0.887 -5.230 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.737 -0.338 -3.293 1.00 0.00 N ATOM 0 H ARG A 28 7.070 4.877 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 28 4.529 5.260 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.077 2.774 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.542 2.719 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.582 4.158 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.122 3.973 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.404 1.751 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.936 2.327 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 28 6.676 0.957 -2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.428 1.592 -5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.695 0.417 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.270 -0.579 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.606 -0.805 -3.553 1.00 0.00 H new ATOM 246 N VAL A 29 4.591 4.045 0.425 1.00 0.00 N ATOM 247 CA VAL A 29 3.763 3.867 1.613 1.00 0.00 C ATOM 248 C VAL A 29 3.096 5.186 1.977 1.00 0.00 C ATOM 249 O VAL A 29 1.911 5.224 2.300 1.00 0.00 O ATOM 250 CB VAL A 29 4.574 3.332 2.823 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.735 3.347 4.097 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.074 1.922 2.548 1.00 0.00 C ATOM 0 H VAL A 29 5.587 3.886 0.574 1.00 0.00 H new ATOM 0 HA VAL A 29 3.006 3.120 1.375 1.00 0.00 H new ATOM 0 HB VAL A 29 5.430 3.991 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.329 2.967 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.420 4.368 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.856 2.717 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.641 1.563 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.224 1.262 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.716 1.929 1.667 1.00 0.00 H new ATOM 262 N SER A 30 3.857 6.273 1.888 1.00 0.00 N ATOM 263 CA SER A 30 3.319 7.604 2.137 1.00 0.00 C ATOM 264 C SER A 30 2.161 7.896 1.178 1.00 0.00 C ATOM 265 O SER A 30 1.092 8.344 1.600 1.00 0.00 O ATOM 266 CB SER A 30 4.418 8.658 1.980 1.00 0.00 C ATOM 267 OG SER A 30 5.510 8.392 2.852 1.00 0.00 O ATOM 0 H SER A 30 4.848 6.257 1.645 1.00 0.00 H new ATOM 0 HA SER A 30 2.943 7.643 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.768 8.672 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.011 9.647 2.192 1.00 0.00 H new ATOM 0 HG SER A 30 6.199 9.078 2.732 1.00 0.00 H new ATOM 273 N ASN A 31 2.380 7.604 -0.105 1.00 0.00 N ATOM 274 CA ASN A 31 1.357 7.786 -1.133 1.00 0.00 C ATOM 275 C ASN A 31 0.146 6.903 -0.865 1.00 0.00 C ATOM 276 O ASN A 31 -0.992 7.313 -1.074 1.00 0.00 O ATOM 277 CB ASN A 31 1.916 7.465 -2.523 1.00 0.00 C ATOM 278 CG ASN A 31 2.603 8.648 -3.178 1.00 0.00 C ATOM 279 OD1 ASN A 31 1.974 9.432 -3.887 1.00 0.00 O ATOM 280 ND2 ASN A 31 3.899 8.789 -2.951 1.00 0.00 N ATOM 0 H ASN A 31 3.264 7.238 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 31 1.049 8.831 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.625 6.641 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.103 7.124 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.408 9.567 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.389 8.119 -2.357 1.00 0.00 H new ATOM 287 N ALA A 32 0.396 5.692 -0.397 1.00 0.00 N ATOM 288 CA ALA A 32 -0.667 4.734 -0.140 1.00 0.00 C ATOM 289 C ALA A 32 -1.499 5.148 1.056 1.00 0.00 C ATOM 290 O ALA A 32 -2.723 5.126 0.999 1.00 0.00 O ATOM 291 CB ALA A 32 -0.086 3.351 0.074 1.00 0.00 C ATOM 0 H ALA A 32 1.332 5.347 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.321 4.711 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.892 2.643 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.462 3.045 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.591 3.369 0.928 1.00 0.00 H new ATOM 297 N VAL A 33 -0.833 5.552 2.127 1.00 0.00 N ATOM 298 CA VAL A 33 -1.524 5.982 3.331 1.00 0.00 C ATOM 299 C VAL A 33 -2.397 7.198 3.039 1.00 0.00 C ATOM 300 O VAL A 33 -3.560 7.251 3.438 1.00 0.00 O ATOM 301 CB VAL A 33 -0.526 6.307 4.468 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.237 6.912 5.669 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.231 5.052 4.884 1.00 0.00 C ATOM 0 H VAL A 33 0.185 5.591 2.186 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.158 5.159 3.661 1.00 0.00 H new ATOM 0 HB VAL A 33 0.185 7.042 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.509 7.129 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.735 7.834 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.977 6.206 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.929 5.297 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.476 4.301 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.782 4.659 4.029 1.00 0.00 H new ATOM 313 N GLU A 34 -1.844 8.156 2.305 1.00 0.00 N ATOM 314 CA GLU A 34 -2.578 9.368 1.970 1.00 0.00 C ATOM 315 C GLU A 34 -3.713 9.066 0.986 1.00 0.00 C ATOM 316 O GLU A 34 -4.771 9.692 1.036 1.00 0.00 O ATOM 317 CB GLU A 34 -1.628 10.437 1.411 1.00 0.00 C ATOM 318 CG GLU A 34 -1.156 10.196 -0.011 1.00 0.00 C ATOM 319 CD GLU A 34 -0.236 11.295 -0.500 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.739 12.390 -0.832 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.990 11.076 -0.554 1.00 0.00 O ATOM 0 H GLU A 34 -0.895 8.117 1.933 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.027 9.760 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.129 11.404 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.756 10.502 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.636 9.239 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.020 10.126 -0.672 1.00 0.00 H new ATOM 328 N PHE A 35 -3.489 8.099 0.099 1.00 0.00 N ATOM 329 CA PHE A 35 -4.497 7.701 -0.880 1.00 0.00 C ATOM 330 C PHE A 35 -5.636 6.956 -0.196 1.00 0.00 C ATOM 331 O PHE A 35 -6.806 7.205 -0.468 1.00 0.00 O ATOM 332 CB PHE A 35 -3.856 6.817 -1.957 1.00 0.00 C ATOM 333 CG PHE A 35 -4.799 6.370 -3.038 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.177 7.238 -4.048 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.295 5.075 -3.050 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.035 6.825 -5.050 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.154 4.657 -4.048 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.525 5.533 -5.050 1.00 0.00 C ATOM 0 H PHE A 35 -2.616 7.575 0.038 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.904 8.596 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.032 7.364 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.428 5.936 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.797 8.249 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.007 4.386 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.322 7.512 -5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.535 3.646 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.196 5.209 -5.831 1.00 0.00 H new ATOM 348 N LEU A 36 -5.280 6.063 0.716 1.00 0.00 N ATOM 349 CA LEU A 36 -6.258 5.290 1.471 1.00 0.00 C ATOM 350 C LEU A 36 -7.111 6.192 2.358 1.00 0.00 C ATOM 351 O LEU A 36 -8.264 5.875 2.659 1.00 0.00 O ATOM 352 CB LEU A 36 -5.551 4.233 2.310 1.00 0.00 C ATOM 353 CG LEU A 36 -4.879 3.114 1.510 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.143 2.165 2.437 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.904 2.360 0.679 1.00 0.00 C ATOM 0 H LEU A 36 -4.310 5.854 0.953 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.923 4.796 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.796 4.724 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.276 3.787 2.991 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.154 3.565 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.672 1.376 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.379 2.714 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.849 1.722 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.407 1.569 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.654 1.922 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.387 3.048 -0.015 1.00 0.00 H new ATOM 367 N LEU A 37 -6.534 7.303 2.787 1.00 0.00 N ATOM 368 CA LEU A 37 -7.225 8.236 3.665 1.00 0.00 C ATOM 369 C LEU A 37 -8.084 9.226 2.887 1.00 0.00 C ATOM 370 O LEU A 37 -8.659 10.148 3.467 1.00 0.00 O ATOM 371 CB LEU A 37 -6.216 8.996 4.524 1.00 0.00 C ATOM 372 CG LEU A 37 -5.835 8.304 5.828 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.701 9.046 6.519 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.052 8.218 6.732 1.00 0.00 C ATOM 0 H LEU A 37 -5.584 7.582 2.541 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.887 7.650 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.311 9.159 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.626 9.979 4.757 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.486 7.295 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.445 8.536 7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.829 9.069 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.015 10.066 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.779 7.723 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.417 9.222 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.835 7.647 6.234 1.00 0.00 H new ATOM 386 N ASP A 38 -8.191 9.027 1.584 1.00 0.00 N ATOM 387 CA ASP A 38 -9.005 9.904 0.758 1.00 0.00 C ATOM 388 C ASP A 38 -10.472 9.491 0.837 1.00 0.00 C ATOM 389 O ASP A 38 -10.790 8.301 0.835 1.00 0.00 O ATOM 390 CB ASP A 38 -8.531 9.879 -0.698 1.00 0.00 C ATOM 391 CG ASP A 38 -9.161 10.972 -1.546 1.00 0.00 C ATOM 392 OD1 ASP A 38 -8.419 11.848 -2.039 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.397 10.970 -1.719 1.00 0.00 O ATOM 0 H ASP A 38 -7.728 8.272 1.078 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.900 10.921 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.447 9.987 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.765 8.908 -1.134 1.00 0.00 H new ATOM 398 N SER A 39 -11.356 10.478 0.915 1.00 0.00 N ATOM 399 CA SER A 39 -12.791 10.235 1.008 1.00 0.00 C ATOM 400 C SER A 39 -13.305 9.423 -0.186 1.00 0.00 C ATOM 401 O SER A 39 -14.173 8.563 -0.034 1.00 0.00 O ATOM 402 CB SER A 39 -13.540 11.566 1.100 1.00 0.00 C ATOM 403 OG SER A 39 -14.926 11.365 1.328 1.00 0.00 O ATOM 0 H SER A 39 -11.100 11.465 0.916 1.00 0.00 H new ATOM 0 HA SER A 39 -12.974 9.651 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.120 12.166 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.399 12.129 0.177 1.00 0.00 H new ATOM 0 HG SER A 39 -15.378 12.233 1.384 1.00 0.00 H new ATOM 409 N ARG A 40 -12.765 9.683 -1.368 1.00 0.00 N ATOM 410 CA ARG A 40 -13.189 8.971 -2.567 1.00 0.00 C ATOM 411 C ARG A 40 -12.765 7.511 -2.496 1.00 0.00 C ATOM 412 O ARG A 40 -13.494 6.613 -2.925 1.00 0.00 O ATOM 413 CB ARG A 40 -12.598 9.617 -3.823 1.00 0.00 C ATOM 414 CG ARG A 40 -13.150 11.000 -4.124 1.00 0.00 C ATOM 415 CD ARG A 40 -14.642 10.958 -4.411 1.00 0.00 C ATOM 416 NE ARG A 40 -15.154 12.257 -4.842 1.00 0.00 N ATOM 417 CZ ARG A 40 -16.433 12.618 -4.772 1.00 0.00 C ATOM 418 NH1 ARG A 40 -17.337 11.786 -4.268 1.00 0.00 N ATOM 419 NH2 ARG A 40 -16.808 13.813 -5.207 1.00 0.00 N ATOM 0 H ARG A 40 -12.035 10.379 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.276 9.027 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.516 9.686 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.788 8.967 -4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.960 11.660 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.626 11.423 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.842 10.215 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.174 10.638 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.488 12.930 -5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.052 10.866 -3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.316 12.067 -4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.116 14.455 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.788 14.091 -5.154 1.00 0.00 H new ATOM 433 N VAL A 41 -11.588 7.290 -1.934 1.00 0.00 N ATOM 434 CA VAL A 41 -11.003 5.961 -1.854 1.00 0.00 C ATOM 435 C VAL A 41 -11.616 5.152 -0.714 1.00 0.00 C ATOM 436 O VAL A 41 -11.785 3.938 -0.821 1.00 0.00 O ATOM 437 CB VAL A 41 -9.475 6.049 -1.680 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.848 4.665 -1.621 1.00 0.00 C ATOM 439 CG2 VAL A 41 -8.872 6.865 -2.814 1.00 0.00 C ATOM 0 H VAL A 41 -11.012 8.024 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.222 5.448 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.263 6.547 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.769 4.759 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.263 4.113 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.062 4.129 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.791 6.924 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.099 6.387 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.294 7.870 -2.803 1.00 0.00 H new ATOM 449 N ARG A 42 -11.965 5.822 0.373 1.00 0.00 N ATOM 450 CA ARG A 42 -12.580 5.143 1.507 1.00 0.00 C ATOM 451 C ARG A 42 -13.979 4.652 1.143 1.00 0.00 C ATOM 452 O ARG A 42 -14.504 3.726 1.764 1.00 0.00 O ATOM 453 CB ARG A 42 -12.643 6.063 2.732 1.00 0.00 C ATOM 454 CG ARG A 42 -13.649 7.193 2.606 1.00 0.00 C ATOM 455 CD ARG A 42 -13.644 8.081 3.836 1.00 0.00 C ATOM 456 NE ARG A 42 -14.553 9.218 3.700 1.00 0.00 N ATOM 457 CZ ARG A 42 -14.679 10.184 4.608 1.00 0.00 C ATOM 458 NH1 ARG A 42 -14.013 10.118 5.756 1.00 0.00 N ATOM 459 NH2 ARG A 42 -15.488 11.207 4.377 1.00 0.00 N ATOM 0 H ARG A 42 -11.835 6.826 0.496 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.960 4.282 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.891 5.466 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.654 6.488 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.418 7.790 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.646 6.779 2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.929 7.492 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.633 8.446 4.014 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.126 9.275 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.401 9.324 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.114 10.861 6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.014 11.254 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.585 11.947 5.072 1.00 0.00 H new ATOM 473 N ARG A 43 -14.573 5.271 0.127 1.00 0.00 N ATOM 474 CA ARG A 43 -15.919 4.915 -0.299 1.00 0.00 C ATOM 475 C ARG A 43 -15.889 3.729 -1.266 1.00 0.00 C ATOM 476 O ARG A 43 -16.895 3.043 -1.446 1.00 0.00 O ATOM 477 CB ARG A 43 -16.595 6.123 -0.956 1.00 0.00 C ATOM 478 CG ARG A 43 -18.080 5.934 -1.215 1.00 0.00 C ATOM 479 CD ARG A 43 -18.701 7.169 -1.848 1.00 0.00 C ATOM 480 NE ARG A 43 -18.147 7.449 -3.174 1.00 0.00 N ATOM 481 CZ ARG A 43 -18.609 8.397 -3.989 1.00 0.00 C ATOM 482 NH1 ARG A 43 -19.620 9.168 -3.610 1.00 0.00 N ATOM 483 NH2 ARG A 43 -18.059 8.569 -5.184 1.00 0.00 N ATOM 0 H ARG A 43 -14.143 6.020 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.494 4.620 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.456 6.996 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.096 6.336 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.229 5.075 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -18.588 5.711 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -19.779 7.031 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.537 8.029 -1.199 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.360 6.884 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -20.046 9.036 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.971 9.893 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.283 7.976 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -18.412 9.294 -5.808 1.00 0.00 H new ATOM 497 N THR A 44 -14.730 3.476 -1.863 1.00 0.00 N ATOM 498 CA THR A 44 -14.572 2.350 -2.777 1.00 0.00 C ATOM 499 C THR A 44 -14.222 1.071 -2.013 1.00 0.00 C ATOM 500 O THR A 44 -13.798 1.132 -0.857 1.00 0.00 O ATOM 501 CB THR A 44 -13.482 2.637 -3.835 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.443 3.447 -3.276 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.063 3.329 -5.056 1.00 0.00 C ATOM 0 H THR A 44 -13.887 4.034 -1.731 1.00 0.00 H new ATOM 0 HA THR A 44 -15.525 2.209 -3.287 1.00 0.00 H new ATOM 0 HB THR A 44 -13.067 1.678 -4.146 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.274 3.170 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.270 3.516 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.824 2.692 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.513 4.276 -4.758 1.00 0.00 H new ATOM 511 N PRO A 45 -14.417 -0.105 -2.637 1.00 0.00 N ATOM 512 CA PRO A 45 -14.062 -1.394 -2.029 1.00 0.00 C ATOM 513 C PRO A 45 -12.561 -1.524 -1.784 1.00 0.00 C ATOM 514 O PRO A 45 -11.752 -0.874 -2.449 1.00 0.00 O ATOM 515 CB PRO A 45 -14.525 -2.426 -3.065 1.00 0.00 C ATOM 516 CG PRO A 45 -14.590 -1.671 -4.346 1.00 0.00 C ATOM 517 CD PRO A 45 -15.013 -0.281 -3.973 1.00 0.00 C ATOM 0 HA PRO A 45 -14.525 -1.520 -1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.827 -3.261 -3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.497 -2.843 -2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.622 -1.665 -4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.302 -2.126 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.641 0.459 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.098 -0.182 -3.948 1.00 0.00 H new ATOM 525 N THR A 46 -12.201 -2.375 -0.834 1.00 0.00 N ATOM 526 CA THR A 46 -10.811 -2.570 -0.447 1.00 0.00 C ATOM 527 C THR A 46 -9.980 -3.096 -1.613 1.00 0.00 C ATOM 528 O THR A 46 -8.830 -2.699 -1.795 1.00 0.00 O ATOM 529 CB THR A 46 -10.711 -3.567 0.716 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.877 -3.457 1.548 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.471 -3.303 1.553 1.00 0.00 C ATOM 0 H THR A 46 -12.862 -2.949 -0.311 1.00 0.00 H new ATOM 0 HA THR A 46 -10.422 -1.599 -0.139 1.00 0.00 H new ATOM 0 HB THR A 46 -10.643 -4.572 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.812 -4.095 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.424 -4.023 2.370 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.583 -3.403 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.516 -2.293 1.961 1.00 0.00 H new ATOM 539 N SER A 47 -10.576 -3.982 -2.402 1.00 0.00 N ATOM 540 CA SER A 47 -9.887 -4.601 -3.527 1.00 0.00 C ATOM 541 C SER A 47 -9.396 -3.546 -4.516 1.00 0.00 C ATOM 542 O SER A 47 -8.275 -3.631 -5.020 1.00 0.00 O ATOM 543 CB SER A 47 -10.819 -5.595 -4.216 1.00 0.00 C ATOM 544 OG SER A 47 -11.387 -6.489 -3.271 1.00 0.00 O ATOM 0 H SER A 47 -11.541 -4.289 -2.282 1.00 0.00 H new ATOM 0 HA SER A 47 -9.013 -5.134 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.611 -5.057 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.267 -6.157 -4.969 1.00 0.00 H new ATOM 0 HG SER A 47 -11.982 -7.117 -3.731 1.00 0.00 H new ATOM 550 N SER A 48 -10.227 -2.542 -4.768 1.00 0.00 N ATOM 551 CA SER A 48 -9.871 -1.459 -5.659 1.00 0.00 C ATOM 552 C SER A 48 -8.659 -0.701 -5.132 1.00 0.00 C ATOM 553 O SER A 48 -7.717 -0.419 -5.875 1.00 0.00 O ATOM 554 CB SER A 48 -11.056 -0.519 -5.796 1.00 0.00 C ATOM 555 OG SER A 48 -12.176 -1.193 -6.348 1.00 0.00 O ATOM 0 H SER A 48 -11.159 -2.461 -4.361 1.00 0.00 H new ATOM 0 HA SER A 48 -9.613 -1.871 -6.635 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.317 -0.112 -4.819 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.785 0.324 -6.431 1.00 0.00 H new ATOM 0 HG SER A 48 -12.872 -0.541 -6.574 1.00 0.00 H new ATOM 561 N LYS A 49 -8.692 -0.395 -3.839 1.00 0.00 N ATOM 562 CA LYS A 49 -7.597 0.305 -3.177 1.00 0.00 C ATOM 563 C LYS A 49 -6.298 -0.467 -3.350 1.00 0.00 C ATOM 564 O LYS A 49 -5.274 0.090 -3.751 1.00 0.00 O ATOM 565 CB LYS A 49 -7.885 0.445 -1.683 1.00 0.00 C ATOM 566 CG LYS A 49 -9.262 0.993 -1.361 1.00 0.00 C ATOM 567 CD LYS A 49 -9.525 0.973 0.137 1.00 0.00 C ATOM 568 CE LYS A 49 -10.985 1.251 0.447 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.269 1.194 1.904 1.00 0.00 N ATOM 0 H LYS A 49 -9.473 -0.623 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.503 1.292 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.776 -0.531 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.134 1.099 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.347 2.014 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.021 0.402 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.244 0.002 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.899 1.718 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.255 2.235 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.610 0.524 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.277 1.390 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.036 0.247 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.693 1.905 2.398 1.00 0.00 H new ATOM 583 N VAL A 50 -6.361 -1.762 -3.062 1.00 0.00 N ATOM 584 CA VAL A 50 -5.183 -2.621 -3.126 1.00 0.00 C ATOM 585 C VAL A 50 -4.637 -2.702 -4.550 1.00 0.00 C ATOM 586 O VAL A 50 -3.431 -2.581 -4.776 1.00 0.00 O ATOM 587 CB VAL A 50 -5.494 -4.048 -2.617 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.278 -4.951 -2.746 1.00 0.00 C ATOM 589 CG2 VAL A 50 -5.972 -4.011 -1.174 1.00 0.00 C ATOM 0 H VAL A 50 -7.217 -2.241 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.430 -2.173 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.291 -4.458 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.525 -5.948 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.979 -5.011 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.457 -4.542 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.185 -5.025 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.197 -3.574 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.877 -3.408 -1.106 1.00 0.00 H new ATOM 599 N HIS A 51 -5.536 -2.890 -5.508 1.00 0.00 N ATOM 600 CA HIS A 51 -5.148 -3.028 -6.907 1.00 0.00 C ATOM 601 C HIS A 51 -4.523 -1.738 -7.430 1.00 0.00 C ATOM 602 O HIS A 51 -3.573 -1.772 -8.216 1.00 0.00 O ATOM 603 CB HIS A 51 -6.353 -3.405 -7.775 1.00 0.00 C ATOM 604 CG HIS A 51 -6.886 -4.788 -7.534 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.900 -5.340 -8.284 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.545 -5.732 -6.622 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.160 -6.556 -7.847 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.351 -6.822 -6.840 1.00 0.00 N ATOM 0 H HIS A 51 -6.541 -2.951 -5.342 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.408 -3.826 -6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.152 -2.685 -7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.071 -3.316 -8.824 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.781 -5.643 -5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.910 -7.223 -8.247 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.328 -7.694 -6.311 1.00 0.00 H new ATOM 617 N PHE A 52 -5.049 -0.602 -6.990 1.00 0.00 N ATOM 618 CA PHE A 52 -4.534 0.692 -7.419 1.00 0.00 C ATOM 619 C PHE A 52 -3.120 0.902 -6.889 1.00 0.00 C ATOM 620 O PHE A 52 -2.228 1.322 -7.627 1.00 0.00 O ATOM 621 CB PHE A 52 -5.445 1.828 -6.943 1.00 0.00 C ATOM 622 CG PHE A 52 -5.058 3.176 -7.488 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.124 3.966 -6.834 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.632 3.655 -8.654 1.00 0.00 C ATOM 625 CE1 PHE A 52 -3.770 5.204 -7.334 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.282 4.893 -9.159 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.351 5.669 -8.497 1.00 0.00 C ATOM 0 H PHE A 52 -5.831 -0.550 -6.337 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.510 0.702 -8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.471 1.607 -7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.426 1.866 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.668 3.609 -5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.362 3.054 -9.175 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.040 5.808 -6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.736 5.253 -10.070 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.078 6.638 -8.888 1.00 0.00 H new ATOM 637 N LEU A 53 -2.923 0.603 -5.611 1.00 0.00 N ATOM 638 CA LEU A 53 -1.616 0.752 -4.981 1.00 0.00 C ATOM 639 C LEU A 53 -0.591 -0.160 -5.645 1.00 0.00 C ATOM 640 O LEU A 53 0.568 0.216 -5.823 1.00 0.00 O ATOM 641 CB LEU A 53 -1.709 0.451 -3.485 1.00 0.00 C ATOM 642 CG LEU A 53 -2.650 1.370 -2.699 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.671 0.984 -1.229 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.240 2.826 -2.865 1.00 0.00 C ATOM 0 H LEU A 53 -3.653 0.255 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.289 1.784 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.040 -0.579 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.711 0.521 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.657 1.251 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.345 1.648 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.017 -0.045 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.666 1.071 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.921 3.462 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.224 2.962 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.282 3.098 -3.920 1.00 0.00 H new ATOM 656 N LYS A 54 -1.028 -1.354 -6.025 1.00 0.00 N ATOM 657 CA LYS A 54 -0.183 -2.273 -6.775 1.00 0.00 C ATOM 658 C LYS A 54 0.248 -1.634 -8.095 1.00 0.00 C ATOM 659 O LYS A 54 1.412 -1.708 -8.485 1.00 0.00 O ATOM 660 CB LYS A 54 -0.931 -3.589 -7.030 1.00 0.00 C ATOM 661 CG LYS A 54 -0.288 -4.500 -8.075 1.00 0.00 C ATOM 662 CD LYS A 54 1.178 -4.789 -7.777 1.00 0.00 C ATOM 663 CE LYS A 54 1.362 -5.581 -6.496 1.00 0.00 C ATOM 664 NZ LYS A 54 2.800 -5.779 -6.182 1.00 0.00 N ATOM 0 H LYS A 54 -1.963 -1.708 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 54 0.710 -2.491 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.007 -4.135 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.948 -3.357 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.838 -5.440 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.371 -4.035 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.613 -5.343 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.723 -3.848 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.877 -5.059 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.872 -6.550 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.905 -6.579 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.322 -5.979 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.181 -4.917 -5.741 1.00 0.00 H new ATOM 678 N SER A 55 -0.694 -0.972 -8.753 1.00 0.00 N ATOM 679 CA SER A 55 -0.437 -0.320 -10.025 1.00 0.00 C ATOM 680 C SER A 55 0.516 0.868 -9.850 1.00 0.00 C ATOM 681 O SER A 55 1.083 1.376 -10.819 1.00 0.00 O ATOM 682 CB SER A 55 -1.761 0.142 -10.623 1.00 0.00 C ATOM 683 OG SER A 55 -2.705 -0.922 -10.636 1.00 0.00 O ATOM 0 H SER A 55 -1.653 -0.873 -8.420 1.00 0.00 H new ATOM 0 HA SER A 55 0.041 -1.030 -10.700 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.155 0.978 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.600 0.505 -11.638 1.00 0.00 H new ATOM 0 HG SER A 55 -3.070 -1.046 -9.735 1.00 0.00 H new ATOM 689 N LYS A 56 0.688 1.299 -8.605 1.00 0.00 N ATOM 690 CA LYS A 56 1.607 2.378 -8.276 1.00 0.00 C ATOM 691 C LYS A 56 3.018 1.841 -8.047 1.00 0.00 C ATOM 692 O LYS A 56 3.960 2.608 -7.837 1.00 0.00 O ATOM 693 CB LYS A 56 1.122 3.118 -7.030 1.00 0.00 C ATOM 694 CG LYS A 56 0.013 4.124 -7.293 1.00 0.00 C ATOM 695 CD LYS A 56 0.475 5.228 -8.235 1.00 0.00 C ATOM 696 CE LYS A 56 -0.507 6.387 -8.267 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.587 7.079 -6.953 1.00 0.00 N ATOM 0 H LYS A 56 0.196 0.911 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 56 1.635 3.071 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.769 2.388 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.967 3.636 -6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.849 3.614 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.314 4.562 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.454 5.589 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.593 4.823 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.204 7.099 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.495 6.019 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.980 8.033 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.202 6.537 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.365 7.152 -6.540 1.00 0.00 H new ATOM 711 N GLY A 57 3.155 0.522 -8.086 1.00 0.00 N ATOM 712 CA GLY A 57 4.454 -0.095 -7.918 1.00 0.00 C ATOM 713 C GLY A 57 4.691 -0.585 -6.506 1.00 0.00 C ATOM 714 O GLY A 57 5.798 -1.006 -6.167 1.00 0.00 O ATOM 0 H GLY A 57 2.386 -0.132 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.545 -0.933 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.230 0.623 -8.184 1.00 0.00 H new ATOM 718 N LEU A 58 3.654 -0.534 -5.678 1.00 0.00 N ATOM 719 CA LEU A 58 3.766 -0.976 -4.294 1.00 0.00 C ATOM 720 C LEU A 58 3.846 -2.491 -4.195 1.00 0.00 C ATOM 721 O LEU A 58 3.296 -3.219 -5.026 1.00 0.00 O ATOM 722 CB LEU A 58 2.584 -0.491 -3.454 1.00 0.00 C ATOM 723 CG LEU A 58 2.747 0.887 -2.814 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.409 1.991 -3.803 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.886 0.991 -1.566 1.00 0.00 C ATOM 0 H LEU A 58 2.729 -0.192 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 58 4.687 -0.541 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.696 -0.475 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.401 -1.219 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 58 3.790 1.012 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.533 2.961 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.075 1.925 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.376 1.880 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.011 1.977 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.839 0.843 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.189 0.227 -0.850 1.00 0.00 H new ATOM 737 N SER A 59 4.527 -2.955 -3.164 1.00 0.00 N ATOM 738 CA SER A 59 4.584 -4.369 -2.861 1.00 0.00 C ATOM 739 C SER A 59 3.445 -4.713 -1.908 1.00 0.00 C ATOM 740 O SER A 59 2.894 -3.821 -1.260 1.00 0.00 O ATOM 741 CB SER A 59 5.930 -4.709 -2.224 1.00 0.00 C ATOM 742 OG SER A 59 6.993 -4.084 -2.926 1.00 0.00 O ATOM 0 H SER A 59 5.052 -2.365 -2.518 1.00 0.00 H new ATOM 0 HA SER A 59 4.480 -4.951 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.936 -4.386 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.074 -5.789 -2.223 1.00 0.00 H new ATOM 0 HG SER A 59 7.357 -3.353 -2.385 1.00 0.00 H new ATOM 748 N ALA A 60 3.098 -5.990 -1.816 1.00 0.00 N ATOM 749 CA ALA A 60 2.019 -6.424 -0.935 1.00 0.00 C ATOM 750 C ALA A 60 2.313 -6.024 0.506 1.00 0.00 C ATOM 751 O ALA A 60 1.420 -5.611 1.243 1.00 0.00 O ATOM 752 CB ALA A 60 1.817 -7.930 -1.041 1.00 0.00 C ATOM 0 H ALA A 60 3.546 -6.743 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 60 1.099 -5.931 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.008 -8.236 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.562 -8.192 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.736 -8.441 -0.754 1.00 0.00 H new ATOM 758 N GLU A 61 3.579 -6.138 0.882 1.00 0.00 N ATOM 759 CA GLU A 61 4.040 -5.756 2.212 1.00 0.00 C ATOM 760 C GLU A 61 3.762 -4.280 2.476 1.00 0.00 C ATOM 761 O GLU A 61 3.303 -3.905 3.555 1.00 0.00 O ATOM 762 CB GLU A 61 5.544 -6.021 2.361 1.00 0.00 C ATOM 763 CG GLU A 61 5.982 -7.430 1.979 1.00 0.00 C ATOM 764 CD GLU A 61 6.101 -7.630 0.480 1.00 0.00 C ATOM 765 OE1 GLU A 61 5.129 -8.098 -0.143 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.169 -7.312 -0.083 1.00 0.00 O ATOM 0 H GLU A 61 4.316 -6.497 0.275 1.00 0.00 H new ATOM 0 HA GLU A 61 3.495 -6.359 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.088 -5.306 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.832 -5.833 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.943 -7.644 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.266 -8.148 2.380 1.00 0.00 H new ATOM 773 N GLU A 62 4.033 -3.453 1.476 1.00 0.00 N ATOM 774 CA GLU A 62 3.846 -2.013 1.587 1.00 0.00 C ATOM 775 C GLU A 62 2.368 -1.667 1.686 1.00 0.00 C ATOM 776 O GLU A 62 1.968 -0.839 2.501 1.00 0.00 O ATOM 777 CB GLU A 62 4.473 -1.315 0.385 1.00 0.00 C ATOM 778 CG GLU A 62 5.982 -1.439 0.348 1.00 0.00 C ATOM 779 CD GLU A 62 6.562 -1.055 -0.990 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.270 -1.891 -1.589 1.00 0.00 O ATOM 781 OE2 GLU A 62 6.307 0.068 -1.455 1.00 0.00 O ATOM 0 H GLU A 62 4.387 -3.759 0.570 1.00 0.00 H new ATOM 0 HA GLU A 62 4.338 -1.668 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.057 -1.736 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.201 -0.260 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.414 -0.806 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.264 -2.466 0.581 1.00 0.00 H new ATOM 788 N ILE A 63 1.566 -2.315 0.855 1.00 0.00 N ATOM 789 CA ILE A 63 0.121 -2.138 0.884 1.00 0.00 C ATOM 790 C ILE A 63 -0.431 -2.554 2.246 1.00 0.00 C ATOM 791 O ILE A 63 -1.249 -1.853 2.843 1.00 0.00 O ATOM 792 CB ILE A 63 -0.556 -2.968 -0.228 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.007 -2.575 -1.596 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.065 -2.775 -0.198 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.439 -3.477 -2.725 1.00 0.00 C ATOM 0 H ILE A 63 1.894 -2.973 0.147 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.097 -1.084 0.712 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.344 -4.023 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.294 -1.552 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.096 -2.584 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.523 -3.368 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.454 -3.097 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.300 -1.722 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.002 -3.133 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.115 -4.498 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.526 -3.450 -2.804 1.00 0.00 H new ATOM 807 N CYS A 64 0.054 -3.689 2.736 1.00 0.00 N ATOM 808 CA CYS A 64 -0.336 -4.209 4.038 1.00 0.00 C ATOM 809 C CYS A 64 0.002 -3.210 5.142 1.00 0.00 C ATOM 810 O CYS A 64 -0.809 -2.959 6.040 1.00 0.00 O ATOM 811 CB CYS A 64 0.377 -5.542 4.294 1.00 0.00 C ATOM 812 SG CYS A 64 -0.017 -6.312 5.880 1.00 0.00 S ATOM 0 H CYS A 64 0.728 -4.273 2.241 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.414 -4.370 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.120 -6.236 3.494 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.454 -5.379 4.241 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.291 -6.197 6.114 1.00 0.00 H new ATOM 818 N GLU A 65 1.195 -2.632 5.066 1.00 0.00 N ATOM 819 CA GLU A 65 1.634 -1.666 6.050 1.00 0.00 C ATOM 820 C GLU A 65 0.809 -0.386 5.961 1.00 0.00 C ATOM 821 O GLU A 65 0.287 0.081 6.971 1.00 0.00 O ATOM 822 CB GLU A 65 3.125 -1.372 5.869 1.00 0.00 C ATOM 823 CG GLU A 65 3.614 -0.202 6.698 1.00 0.00 C ATOM 824 CD GLU A 65 5.122 -0.084 6.722 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.707 0.420 5.742 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.734 -0.489 7.736 1.00 0.00 O ATOM 0 H GLU A 65 1.873 -2.820 4.328 1.00 0.00 H new ATOM 0 HA GLU A 65 1.483 -2.088 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.698 -2.260 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.322 -1.169 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.189 0.720 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.247 -0.309 7.719 1.00 0.00 H new ATOM 833 N ALA A 66 0.654 0.148 4.750 1.00 0.00 N ATOM 834 CA ALA A 66 -0.084 1.389 4.542 1.00 0.00 C ATOM 835 C ALA A 66 -1.499 1.280 5.085 1.00 0.00 C ATOM 836 O ALA A 66 -1.976 2.182 5.773 1.00 0.00 O ATOM 837 CB ALA A 66 -0.123 1.744 3.064 1.00 0.00 C ATOM 0 H ALA A 66 1.032 -0.263 3.896 1.00 0.00 H new ATOM 0 HA ALA A 66 0.434 2.180 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.677 2.672 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.894 1.871 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.614 0.944 2.510 1.00 0.00 H new ATOM 843 N PHE A 67 -2.159 0.168 4.789 1.00 0.00 N ATOM 844 CA PHE A 67 -3.498 -0.082 5.293 1.00 0.00 C ATOM 845 C PHE A 67 -3.529 -0.027 6.814 1.00 0.00 C ATOM 846 O PHE A 67 -4.407 0.598 7.406 1.00 0.00 O ATOM 847 CB PHE A 67 -4.010 -1.438 4.807 1.00 0.00 C ATOM 848 CG PHE A 67 -4.858 -1.350 3.573 1.00 0.00 C ATOM 849 CD1 PHE A 67 -6.210 -1.081 3.677 1.00 0.00 C ATOM 850 CD2 PHE A 67 -4.310 -1.532 2.317 1.00 0.00 C ATOM 851 CE1 PHE A 67 -7.004 -0.998 2.554 1.00 0.00 C ATOM 852 CE2 PHE A 67 -5.100 -1.449 1.186 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.449 -1.181 1.306 1.00 0.00 C ATOM 0 H PHE A 67 -1.785 -0.576 4.200 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.151 0.701 4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.159 -2.089 4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.589 -1.906 5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.650 -0.934 4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.255 -1.741 2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.059 -0.790 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.662 -1.594 0.209 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.068 -1.115 0.424 1.00 0.00 H new ATOM 863 N THR A 68 -2.557 -0.657 7.445 1.00 0.00 N ATOM 864 CA THR A 68 -2.521 -0.718 8.894 1.00 0.00 C ATOM 865 C THR A 68 -2.324 0.675 9.482 1.00 0.00 C ATOM 866 O THR A 68 -2.867 1.006 10.537 1.00 0.00 O ATOM 867 CB THR A 68 -1.410 -1.662 9.382 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.488 -2.914 8.676 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.538 -1.915 10.875 1.00 0.00 C ATOM 0 H THR A 68 -1.784 -1.132 6.979 1.00 0.00 H new ATOM 0 HA THR A 68 -3.478 -1.113 9.236 1.00 0.00 H new ATOM 0 HB THR A 68 -0.447 -1.190 9.187 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.099 -2.810 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.742 -2.585 11.200 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.458 -0.970 11.412 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.505 -2.371 11.085 1.00 0.00 H new ATOM 877 N LYS A 69 -1.583 1.500 8.764 1.00 0.00 N ATOM 878 CA LYS A 69 -1.294 2.849 9.201 1.00 0.00 C ATOM 879 C LYS A 69 -2.521 3.748 9.111 1.00 0.00 C ATOM 880 O LYS A 69 -2.692 4.654 9.925 1.00 0.00 O ATOM 881 CB LYS A 69 -0.163 3.417 8.358 1.00 0.00 C ATOM 882 CG LYS A 69 1.063 2.524 8.344 1.00 0.00 C ATOM 883 CD LYS A 69 2.308 3.258 7.870 1.00 0.00 C ATOM 884 CE LYS A 69 2.593 4.488 8.715 1.00 0.00 C ATOM 885 NZ LYS A 69 2.803 4.155 10.148 1.00 0.00 N ATOM 0 H LYS A 69 -1.167 1.253 7.866 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.995 2.813 10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.514 3.561 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.113 4.399 8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.235 2.132 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.879 1.669 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.164 2.584 7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.181 3.554 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.478 4.994 8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.762 5.187 8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.093 5.010 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.917 3.790 10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.545 3.432 10.231 1.00 0.00 H new ATOM 899 N VAL A 70 -3.383 3.493 8.135 1.00 0.00 N ATOM 900 CA VAL A 70 -4.562 4.330 7.934 1.00 0.00 C ATOM 901 C VAL A 70 -5.692 3.933 8.880 1.00 0.00 C ATOM 902 O VAL A 70 -6.731 4.593 8.927 1.00 0.00 O ATOM 903 CB VAL A 70 -5.070 4.280 6.475 1.00 0.00 C ATOM 904 CG1 VAL A 70 -3.948 4.627 5.516 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.672 2.924 6.127 1.00 0.00 C ATOM 0 H VAL A 70 -3.291 2.721 7.475 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.253 5.352 8.154 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.864 5.021 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.319 4.588 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.583 5.631 5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.134 3.912 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.016 2.933 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.917 2.148 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.514 2.719 6.788 1.00 0.00 H new ATOM 915 N GLY A 71 -5.477 2.871 9.646 1.00 0.00 N ATOM 916 CA GLY A 71 -6.489 2.413 10.581 1.00 0.00 C ATOM 917 C GLY A 71 -7.246 1.207 10.067 1.00 0.00 C ATOM 918 O GLY A 71 -8.319 0.869 10.573 1.00 0.00 O ATOM 0 H GLY A 71 -4.620 2.318 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.016 2.164 11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.192 3.223 10.777 1.00 0.00 H new ATOM 922 N GLN A 72 -6.688 0.550 9.064 1.00 0.00 N ATOM 923 CA GLN A 72 -7.307 -0.628 8.484 1.00 0.00 C ATOM 924 C GLN A 72 -6.309 -1.783 8.473 1.00 0.00 C ATOM 925 O GLN A 72 -5.552 -1.955 7.522 1.00 0.00 O ATOM 926 CB GLN A 72 -7.770 -0.306 7.057 1.00 0.00 C ATOM 927 CG GLN A 72 -8.398 -1.476 6.318 1.00 0.00 C ATOM 928 CD GLN A 72 -9.745 -1.870 6.873 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.842 -2.714 7.763 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.790 -1.254 6.351 1.00 0.00 N ATOM 0 H GLN A 72 -5.802 0.815 8.633 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.171 -0.922 9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.491 0.510 7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.915 0.053 6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.507 -1.217 5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.726 -2.333 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.658 -0.561 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.729 -1.471 6.685 1.00 0.00 H new ATOM 939 N PRO A 73 -6.288 -2.596 9.531 1.00 0.00 N ATOM 940 CA PRO A 73 -5.321 -3.678 9.653 1.00 0.00 C ATOM 941 C PRO A 73 -5.643 -4.845 8.733 1.00 0.00 C ATOM 942 O PRO A 73 -6.521 -5.663 9.017 1.00 0.00 O ATOM 943 CB PRO A 73 -5.426 -4.093 11.115 1.00 0.00 C ATOM 944 CG PRO A 73 -6.814 -3.724 11.518 1.00 0.00 C ATOM 945 CD PRO A 73 -7.194 -2.524 10.691 1.00 0.00 C ATOM 0 HA PRO A 73 -4.318 -3.363 9.365 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.250 -5.162 11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.686 -3.577 11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.502 -4.551 11.341 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.861 -3.492 12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.239 -2.564 10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.059 -1.596 11.247 1.00 0.00 H new ATOM 953 N LYS A 74 -4.956 -4.890 7.610 1.00 0.00 N ATOM 954 CA LYS A 74 -5.090 -5.990 6.678 1.00 0.00 C ATOM 955 C LYS A 74 -3.862 -6.866 6.750 1.00 0.00 C ATOM 956 O LYS A 74 -2.742 -6.366 6.840 1.00 0.00 O ATOM 957 CB LYS A 74 -5.288 -5.480 5.249 1.00 0.00 C ATOM 958 CG LYS A 74 -6.624 -4.795 5.028 1.00 0.00 C ATOM 959 CD LYS A 74 -7.779 -5.724 5.360 1.00 0.00 C ATOM 960 CE LYS A 74 -9.117 -5.048 5.142 1.00 0.00 C ATOM 961 NZ LYS A 74 -10.244 -5.894 5.610 1.00 0.00 N ATOM 0 H LYS A 74 -4.294 -4.171 7.319 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.970 -6.571 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.487 -4.782 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.200 -6.318 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.684 -3.900 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.702 -4.470 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.717 -6.619 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.699 -6.049 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.133 -4.095 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.244 -4.826 4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.143 -5.398 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.243 -6.793 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.136 -6.084 6.627 1.00 0.00 H new ATOM 975 N THR A 75 -4.069 -8.166 6.725 1.00 0.00 N ATOM 976 CA THR A 75 -2.971 -9.102 6.804 1.00 0.00 C ATOM 977 C THR A 75 -2.266 -9.189 5.458 1.00 0.00 C ATOM 978 O THR A 75 -2.857 -8.875 4.421 1.00 0.00 O ATOM 979 CB THR A 75 -3.467 -10.498 7.230 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.376 -11.015 6.254 1.00 0.00 O ATOM 981 CG2 THR A 75 -4.167 -10.429 8.577 1.00 0.00 C ATOM 0 H THR A 75 -4.990 -8.598 6.650 1.00 0.00 H new ATOM 0 HA THR A 75 -2.269 -8.744 7.557 1.00 0.00 H new ATOM 0 HB THR A 75 -2.602 -11.156 7.311 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.684 -11.903 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.510 -11.424 8.860 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.472 -10.057 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.022 -9.757 8.509 1.00 0.00 H new ATOM 989 N LEU A 76 -1.004 -9.595 5.474 1.00 0.00 N ATOM 990 CA LEU A 76 -0.251 -9.769 4.243 1.00 0.00 C ATOM 991 C LEU A 76 -0.904 -10.860 3.404 1.00 0.00 C ATOM 992 O LEU A 76 -0.906 -10.806 2.172 1.00 0.00 O ATOM 993 CB LEU A 76 1.206 -10.118 4.561 1.00 0.00 C ATOM 994 CG LEU A 76 2.133 -10.239 3.351 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.099 -8.968 2.521 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.552 -10.536 3.803 1.00 0.00 C ATOM 0 H LEU A 76 -0.483 -9.809 6.324 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.256 -8.839 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.607 -9.355 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.225 -11.061 5.107 1.00 0.00 H new ATOM 0 HG LEU A 76 1.783 -11.064 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.765 -9.075 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.083 -8.790 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.425 -8.126 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.201 -10.620 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.906 -9.728 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.568 -11.474 4.359 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.479 -11.832 4.097 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.224 -12.909 3.464 1.00 0.00 C ATOM 1010 C ASN A 77 -3.414 -12.354 2.684 1.00 0.00 C ATOM 1011 O ASN A 77 -3.646 -12.732 1.537 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.719 -13.888 4.528 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.414 -15.096 3.936 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -3.080 -15.550 2.842 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.388 -15.625 4.656 1.00 0.00 N ATOM 0 H ASN A 77 -1.442 -11.896 5.114 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.563 -13.427 2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.874 -14.220 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.406 -13.372 5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.894 -16.440 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.634 -15.218 5.558 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.154 -11.443 3.312 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.300 -10.805 2.668 1.00 0.00 C ATOM 1024 C GLU A 78 -4.883 -10.047 1.422 1.00 0.00 C ATOM 1025 O GLU A 78 -5.544 -10.134 0.393 1.00 0.00 O ATOM 1026 CB GLU A 78 -6.013 -9.850 3.627 1.00 0.00 C ATOM 1027 CG GLU A 78 -7.001 -10.539 4.547 1.00 0.00 C ATOM 1028 CD GLU A 78 -8.134 -11.195 3.787 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -9.079 -10.482 3.393 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.090 -12.425 3.585 1.00 0.00 O ATOM 0 H GLU A 78 -3.980 -11.130 4.267 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.987 -11.601 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.268 -9.331 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.538 -9.091 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.479 -11.292 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.410 -9.811 5.247 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.785 -9.309 1.511 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.319 -8.512 0.386 1.00 0.00 C ATOM 1039 C ILE A 79 -3.015 -9.404 -0.819 1.00 0.00 C ATOM 1040 O ILE A 79 -3.395 -9.085 -1.944 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.077 -7.673 0.757 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.365 -6.805 1.991 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.648 -6.800 -0.415 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.559 -5.881 1.836 1.00 0.00 C ATOM 0 H ILE A 79 -3.203 -9.246 2.346 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.121 -7.823 0.121 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.261 -8.356 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.533 -7.457 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.482 -6.206 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.771 -6.217 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.404 -7.432 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.461 -6.126 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.694 -5.304 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.388 -5.202 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.454 -6.472 1.645 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.360 -10.535 -0.575 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.087 -11.508 -1.634 1.00 0.00 C ATOM 1058 C LYS A 80 -3.386 -12.084 -2.182 1.00 0.00 C ATOM 1059 O LYS A 80 -3.547 -12.263 -3.389 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.207 -12.639 -1.108 1.00 0.00 C ATOM 1061 CG LYS A 80 0.151 -12.174 -0.622 1.00 0.00 C ATOM 1062 CD LYS A 80 1.004 -13.340 -0.155 1.00 0.00 C ATOM 1063 CE LYS A 80 2.382 -12.880 0.290 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.198 -14.005 0.816 1.00 0.00 N ATOM 0 H LYS A 80 -2.008 -10.802 0.344 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.562 -10.992 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.724 -13.140 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.068 -13.377 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.664 -11.645 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.023 -11.465 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.506 -13.849 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.105 -14.065 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.900 -12.418 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.279 -12.115 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.131 -13.650 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.717 -14.430 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.319 -14.723 0.074 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.305 -12.365 -1.274 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.627 -12.876 -1.622 1.00 0.00 C ATOM 1080 C ARG A 81 -6.371 -11.890 -2.523 1.00 0.00 C ATOM 1081 O ARG A 81 -7.008 -12.278 -3.500 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.424 -13.123 -0.341 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.892 -13.433 -0.566 1.00 0.00 C ATOM 1084 CD ARG A 81 -8.613 -13.597 0.759 1.00 0.00 C ATOM 1085 NE ARG A 81 -10.047 -13.806 0.591 1.00 0.00 N ATOM 1086 CZ ARG A 81 -10.936 -13.660 1.571 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -10.550 -13.258 2.777 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -12.220 -13.891 1.333 1.00 0.00 N ATOM 0 H ARG A 81 -4.159 -12.246 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.512 -13.812 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.969 -13.952 0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.345 -12.243 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.355 -12.631 -1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.990 -14.345 -1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.186 -14.442 1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.447 -12.711 1.372 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.388 -14.080 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.566 -13.059 2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.238 -13.149 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.522 -14.179 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.905 -13.781 2.081 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.272 -10.618 -2.187 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.923 -9.561 -2.945 1.00 0.00 C ATOM 1104 C ILE A 82 -6.204 -9.305 -4.272 1.00 0.00 C ATOM 1105 O ILE A 82 -6.833 -8.968 -5.276 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.979 -8.264 -2.108 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.841 -8.492 -0.861 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.531 -7.109 -2.930 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.670 -7.437 0.212 1.00 0.00 C ATOM 0 H ILE A 82 -5.740 -10.286 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.939 -9.884 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.966 -8.003 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.889 -8.525 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.598 -9.467 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.560 -6.208 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.890 -6.939 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.539 -7.351 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.314 -7.672 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.631 -7.417 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.942 -6.461 -0.191 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.890 -9.484 -4.280 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.093 -9.256 -5.484 1.00 0.00 C ATOM 1123 C LEU A 83 -4.152 -10.445 -6.439 1.00 0.00 C ATOM 1124 O LEU A 83 -3.558 -10.409 -7.518 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.638 -8.950 -5.121 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.392 -7.556 -4.539 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -0.950 -7.412 -4.087 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.733 -6.485 -5.564 1.00 0.00 C ATOM 0 H LEU A 83 -4.351 -9.786 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.523 -8.394 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.296 -9.693 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.025 -9.067 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.040 -7.428 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.795 -6.414 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.732 -8.157 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.285 -7.561 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.553 -5.500 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.109 -6.615 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.783 -6.572 -5.845 1.00 0.00 H new ATOM 1140 N SER A 84 -4.853 -11.494 -6.046 1.00 0.00 N ATOM 1141 CA SER A 84 -5.042 -12.638 -6.923 1.00 0.00 C ATOM 1142 C SER A 84 -6.476 -12.678 -7.448 1.00 0.00 C ATOM 1143 O SER A 84 -7.358 -13.238 -6.765 1.00 0.00 O ATOM 1144 CB SER A 84 -4.665 -13.942 -6.208 1.00 0.00 C ATOM 1145 OG SER A 84 -5.078 -13.939 -4.850 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.719 -12.114 -8.536 1.00 0.00 O ATOM 0 H SER A 84 -5.298 -11.578 -5.132 1.00 0.00 H new ATOM 0 HA SER A 84 -4.377 -12.533 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.123 -14.785 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.586 -14.085 -6.259 1.00 0.00 H new ATOM 0 HG SER A 84 -4.462 -13.389 -4.322 1.00 0.00 H new