USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.109) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0685 K(o=-0.068,f=-1.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.00153 USER MOD Single : A 44 THR OG1 : rot 14:sc= 0.992 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -170:sc= -1.51! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.825 K(o=0.83,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -130:sc= 0.0387 (180deg=-0.0576) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 56:sc= 1.32 USER MOD Single : A 68 THR OG1 : rot 75:sc= 0.987 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.062) USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.2) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 1:sc= 0.0234 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.152 6.028 0.550 1.00 0.00 N ATOM 201 CA LYS A 27 7.328 6.983 -0.179 1.00 0.00 C ATOM 202 C LYS A 27 6.114 6.291 -0.784 1.00 0.00 C ATOM 203 O LYS A 27 5.042 6.883 -0.884 1.00 0.00 O ATOM 204 CB LYS A 27 8.134 7.711 -1.263 1.00 0.00 C ATOM 205 CG LYS A 27 8.698 6.803 -2.345 1.00 0.00 C ATOM 206 CD LYS A 27 9.537 7.579 -3.349 1.00 0.00 C ATOM 207 CE LYS A 27 8.686 8.502 -4.208 1.00 0.00 C ATOM 208 NZ LYS A 27 7.803 7.746 -5.140 1.00 0.00 N ATOM 0 HA LYS A 27 6.982 7.733 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.496 8.460 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.957 8.245 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.307 6.025 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.880 6.303 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.287 8.166 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.074 6.880 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.075 9.135 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.335 9.164 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.383 8.402 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.363 7.028 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.046 7.280 -4.600 1.00 0.00 H new ATOM 222 N ARG A 28 6.276 5.027 -1.158 1.00 0.00 N ATOM 223 CA ARG A 28 5.169 4.252 -1.697 1.00 0.00 C ATOM 224 C ARG A 28 4.121 4.007 -0.623 1.00 0.00 C ATOM 225 O ARG A 28 2.926 4.160 -0.868 1.00 0.00 O ATOM 226 CB ARG A 28 5.655 2.918 -2.254 1.00 0.00 C ATOM 227 CG ARG A 28 6.594 3.051 -3.436 1.00 0.00 C ATOM 228 CD ARG A 28 6.945 1.692 -4.015 1.00 0.00 C ATOM 229 NE ARG A 28 7.526 0.799 -3.012 1.00 0.00 N ATOM 230 CZ ARG A 28 8.436 -0.133 -3.284 1.00 0.00 C ATOM 231 NH1 ARG A 28 8.895 -0.280 -4.523 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.886 -0.913 -2.314 1.00 0.00 N ATOM 0 H ARG A 28 7.159 4.521 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 28 4.723 4.826 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.161 2.367 -1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.791 2.324 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.129 3.668 -4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.505 3.563 -3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.048 1.234 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.649 1.820 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 28 7.215 0.897 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.550 0.323 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.593 -0.996 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.535 -0.798 -1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.584 -1.629 -2.517 1.00 0.00 H new ATOM 246 N VAL A 29 4.578 3.638 0.569 1.00 0.00 N ATOM 247 CA VAL A 29 3.679 3.425 1.693 1.00 0.00 C ATOM 248 C VAL A 29 2.937 4.715 2.024 1.00 0.00 C ATOM 249 O VAL A 29 1.720 4.714 2.173 1.00 0.00 O ATOM 250 CB VAL A 29 4.436 2.932 2.948 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.489 2.779 4.133 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.144 1.617 2.660 1.00 0.00 C ATOM 0 H VAL A 29 5.564 3.481 0.780 1.00 0.00 H new ATOM 0 HA VAL A 29 2.968 2.653 1.399 1.00 0.00 H new ATOM 0 HB VAL A 29 5.184 3.681 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.047 2.431 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.029 3.741 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.712 2.055 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.672 1.285 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.410 0.865 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.858 1.758 1.849 1.00 0.00 H new ATOM 262 N SER A 30 3.675 5.816 2.096 1.00 0.00 N ATOM 263 CA SER A 30 3.091 7.112 2.419 1.00 0.00 C ATOM 264 C SER A 30 2.073 7.541 1.365 1.00 0.00 C ATOM 265 O SER A 30 0.988 8.013 1.704 1.00 0.00 O ATOM 266 CB SER A 30 4.195 8.157 2.556 1.00 0.00 C ATOM 267 OG SER A 30 5.139 7.762 3.538 1.00 0.00 O ATOM 0 H SER A 30 4.682 5.837 1.935 1.00 0.00 H new ATOM 0 HA SER A 30 2.563 7.024 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.695 8.293 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.761 9.119 2.828 1.00 0.00 H new ATOM 0 HG SER A 30 5.840 8.443 3.611 1.00 0.00 H new ATOM 273 N ASN A 31 2.418 7.358 0.093 1.00 0.00 N ATOM 274 CA ASN A 31 1.510 7.682 -1.003 1.00 0.00 C ATOM 275 C ASN A 31 0.248 6.837 -0.918 1.00 0.00 C ATOM 276 O ASN A 31 -0.846 7.298 -1.228 1.00 0.00 O ATOM 277 CB ASN A 31 2.190 7.479 -2.358 1.00 0.00 C ATOM 278 CG ASN A 31 3.155 8.597 -2.698 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.964 9.745 -2.299 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.201 8.272 -3.438 1.00 0.00 N ATOM 0 H ASN A 31 3.320 6.987 -0.204 1.00 0.00 H new ATOM 0 HA ASN A 31 1.236 8.733 -0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.726 6.530 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.429 7.411 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.884 8.984 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.325 7.309 -3.750 1.00 0.00 H new ATOM 287 N ALA A 32 0.412 5.599 -0.491 1.00 0.00 N ATOM 288 CA ALA A 32 -0.713 4.701 -0.312 1.00 0.00 C ATOM 289 C ALA A 32 -1.565 5.140 0.869 1.00 0.00 C ATOM 290 O ALA A 32 -2.785 5.180 0.775 1.00 0.00 O ATOM 291 CB ALA A 32 -0.228 3.280 -0.119 1.00 0.00 C ATOM 0 H ALA A 32 1.318 5.191 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.330 4.737 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.084 2.618 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.340 2.967 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.410 3.230 0.763 1.00 0.00 H new ATOM 297 N VAL A 33 -0.912 5.501 1.968 1.00 0.00 N ATOM 298 CA VAL A 33 -1.609 5.941 3.174 1.00 0.00 C ATOM 299 C VAL A 33 -2.447 7.179 2.881 1.00 0.00 C ATOM 300 O VAL A 33 -3.620 7.252 3.247 1.00 0.00 O ATOM 301 CB VAL A 33 -0.609 6.253 4.316 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.312 6.821 5.542 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.165 5.008 4.700 1.00 0.00 C ATOM 0 H VAL A 33 0.105 5.498 2.050 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.261 5.129 3.494 1.00 0.00 H new ATOM 0 HB VAL A 33 0.083 7.008 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.577 7.027 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.823 7.745 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.039 6.098 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.862 5.246 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.529 4.238 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.719 4.643 3.835 1.00 0.00 H new ATOM 313 N GLU A 34 -1.848 8.134 2.190 1.00 0.00 N ATOM 314 CA GLU A 34 -2.529 9.372 1.858 1.00 0.00 C ATOM 315 C GLU A 34 -3.650 9.134 0.840 1.00 0.00 C ATOM 316 O GLU A 34 -4.681 9.809 0.874 1.00 0.00 O ATOM 317 CB GLU A 34 -1.521 10.400 1.345 1.00 0.00 C ATOM 318 CG GLU A 34 -0.931 10.078 -0.011 1.00 0.00 C ATOM 319 CD GLU A 34 0.049 11.129 -0.472 1.00 0.00 C ATOM 320 OE1 GLU A 34 1.153 11.219 0.101 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.280 11.873 -1.418 1.00 0.00 O ATOM 0 H GLU A 34 -0.889 8.075 1.848 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.995 9.765 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.008 11.374 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.710 10.488 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.430 9.111 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.734 9.987 -0.742 1.00 0.00 H new ATOM 328 N PHE A 35 -3.444 8.177 -0.064 1.00 0.00 N ATOM 329 CA PHE A 35 -4.458 7.821 -1.052 1.00 0.00 C ATOM 330 C PHE A 35 -5.614 7.074 -0.396 1.00 0.00 C ATOM 331 O PHE A 35 -6.780 7.361 -0.661 1.00 0.00 O ATOM 332 CB PHE A 35 -3.835 6.961 -2.161 1.00 0.00 C ATOM 333 CG PHE A 35 -4.834 6.397 -3.137 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.267 5.084 -3.024 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.339 7.179 -4.163 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.185 4.563 -3.914 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.258 6.663 -5.058 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.682 5.354 -4.932 1.00 0.00 C ATOM 0 H PHE A 35 -2.583 7.635 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.848 8.740 -1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.109 7.563 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.286 6.138 -1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.881 4.462 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.011 8.203 -4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.514 3.539 -3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.644 7.282 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.401 4.949 -5.629 1.00 0.00 H new ATOM 348 N LEU A 36 -5.282 6.138 0.482 1.00 0.00 N ATOM 349 CA LEU A 36 -6.279 5.331 1.171 1.00 0.00 C ATOM 350 C LEU A 36 -7.142 6.186 2.087 1.00 0.00 C ATOM 351 O LEU A 36 -8.319 5.893 2.304 1.00 0.00 O ATOM 352 CB LEU A 36 -5.596 4.232 1.977 1.00 0.00 C ATOM 353 CG LEU A 36 -4.892 3.154 1.152 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.152 2.190 2.064 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.887 2.408 0.282 1.00 0.00 C ATOM 0 H LEU A 36 -4.319 5.917 0.736 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.926 4.879 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.865 4.693 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.342 3.752 2.610 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.167 3.639 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.656 1.428 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.408 2.736 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.861 1.713 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.365 1.646 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.638 1.933 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.374 3.108 -0.397 1.00 0.00 H new ATOM 367 N LEU A 37 -6.552 7.243 2.622 1.00 0.00 N ATOM 368 CA LEU A 37 -7.244 8.106 3.564 1.00 0.00 C ATOM 369 C LEU A 37 -8.055 9.178 2.862 1.00 0.00 C ATOM 370 O LEU A 37 -8.633 10.050 3.513 1.00 0.00 O ATOM 371 CB LEU A 37 -6.249 8.759 4.516 1.00 0.00 C ATOM 372 CG LEU A 37 -5.877 7.913 5.725 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.839 8.622 6.578 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.126 7.613 6.536 1.00 0.00 C ATOM 0 H LEU A 37 -5.593 7.524 2.419 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.933 7.478 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.340 8.997 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.667 9.703 4.865 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.441 6.974 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.587 8.000 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.942 8.802 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.242 9.574 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.861 7.007 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.575 8.548 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.839 7.069 5.917 1.00 0.00 H new ATOM 386 N ASP A 38 -8.121 9.112 1.547 1.00 0.00 N ATOM 387 CA ASP A 38 -8.915 10.069 0.804 1.00 0.00 C ATOM 388 C ASP A 38 -10.390 9.741 0.975 1.00 0.00 C ATOM 389 O ASP A 38 -10.780 8.580 0.867 1.00 0.00 O ATOM 390 CB ASP A 38 -8.543 10.052 -0.680 1.00 0.00 C ATOM 391 CG ASP A 38 -9.113 11.231 -1.452 1.00 0.00 C ATOM 392 OD1 ASP A 38 -8.323 12.101 -1.879 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.349 11.293 -1.645 1.00 0.00 O ATOM 0 H ASP A 38 -7.641 8.415 0.977 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.714 11.068 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.457 10.053 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.901 9.125 -1.128 1.00 0.00 H new ATOM 398 N SER A 39 -11.196 10.760 1.248 1.00 0.00 N ATOM 399 CA SER A 39 -12.622 10.584 1.504 1.00 0.00 C ATOM 400 C SER A 39 -13.301 9.780 0.391 1.00 0.00 C ATOM 401 O SER A 39 -14.192 8.973 0.654 1.00 0.00 O ATOM 402 CB SER A 39 -13.285 11.953 1.646 1.00 0.00 C ATOM 403 OG SER A 39 -12.574 12.766 2.566 1.00 0.00 O ATOM 0 H SER A 39 -10.882 11.729 1.298 1.00 0.00 H new ATOM 0 HA SER A 39 -12.736 10.021 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.324 12.445 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.314 11.830 1.983 1.00 0.00 H new ATOM 0 HG SER A 39 -13.015 13.638 2.640 1.00 0.00 H new ATOM 409 N ARG A 40 -12.865 9.998 -0.844 1.00 0.00 N ATOM 410 CA ARG A 40 -13.411 9.281 -1.992 1.00 0.00 C ATOM 411 C ARG A 40 -13.017 7.810 -1.954 1.00 0.00 C ATOM 412 O ARG A 40 -13.841 6.924 -2.176 1.00 0.00 O ATOM 413 CB ARG A 40 -12.910 9.913 -3.286 1.00 0.00 C ATOM 414 CG ARG A 40 -13.350 11.352 -3.467 1.00 0.00 C ATOM 415 CD ARG A 40 -12.520 12.044 -4.529 1.00 0.00 C ATOM 416 NE ARG A 40 -11.116 12.151 -4.133 1.00 0.00 N ATOM 417 CZ ARG A 40 -10.137 12.532 -4.949 1.00 0.00 C ATOM 418 NH1 ARG A 40 -10.395 12.783 -6.228 1.00 0.00 N ATOM 419 NH2 ARG A 40 -8.897 12.643 -4.488 1.00 0.00 N ATOM 0 H ARG A 40 -12.132 10.668 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.498 9.349 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.821 9.870 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.267 9.324 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.403 11.382 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.256 11.886 -2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.593 11.491 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.923 13.040 -4.714 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.872 11.919 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.345 12.684 -6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.643 13.075 -6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.696 12.436 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.145 12.935 -5.112 1.00 0.00 H new ATOM 433 N VAL A 41 -11.750 7.560 -1.650 1.00 0.00 N ATOM 434 CA VAL A 41 -11.209 6.207 -1.647 1.00 0.00 C ATOM 435 C VAL A 41 -11.763 5.408 -0.472 1.00 0.00 C ATOM 436 O VAL A 41 -11.876 4.184 -0.529 1.00 0.00 O ATOM 437 CB VAL A 41 -9.666 6.230 -1.601 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.092 4.819 -1.603 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.123 7.027 -2.777 1.00 0.00 C ATOM 0 H VAL A 41 -11.074 8.282 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.516 5.720 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.359 6.712 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.004 4.869 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.457 4.277 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.404 4.300 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.034 7.038 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.447 6.566 -3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.498 8.049 -2.728 1.00 0.00 H new ATOM 449 N ARG A 42 -12.135 6.110 0.589 1.00 0.00 N ATOM 450 CA ARG A 42 -12.793 5.476 1.728 1.00 0.00 C ATOM 451 C ARG A 42 -14.130 4.867 1.301 1.00 0.00 C ATOM 452 O ARG A 42 -14.644 3.954 1.947 1.00 0.00 O ATOM 453 CB ARG A 42 -13.023 6.487 2.853 1.00 0.00 C ATOM 454 CG ARG A 42 -11.751 7.152 3.355 1.00 0.00 C ATOM 455 CD ARG A 42 -12.048 8.140 4.470 1.00 0.00 C ATOM 456 NE ARG A 42 -10.872 8.922 4.854 1.00 0.00 N ATOM 457 CZ ARG A 42 -10.538 9.200 6.114 1.00 0.00 C ATOM 458 NH1 ARG A 42 -11.258 8.727 7.123 1.00 0.00 N ATOM 459 NH2 ARG A 42 -9.477 9.956 6.364 1.00 0.00 N ATOM 0 H ARG A 42 -11.994 7.115 0.687 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.141 4.684 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.709 7.257 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.511 5.983 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.058 6.391 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.258 7.668 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.841 8.816 4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.421 7.600 5.340 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.270 9.277 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.075 8.145 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.994 8.945 8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.919 10.323 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.219 10.170 7.327 1.00 0.00 H new ATOM 473 N ARG A 43 -14.682 5.375 0.201 1.00 0.00 N ATOM 474 CA ARG A 43 -15.968 4.908 -0.302 1.00 0.00 C ATOM 475 C ARG A 43 -15.804 3.752 -1.287 1.00 0.00 C ATOM 476 O ARG A 43 -16.757 3.016 -1.550 1.00 0.00 O ATOM 477 CB ARG A 43 -16.724 6.059 -0.972 1.00 0.00 C ATOM 478 CG ARG A 43 -17.097 7.179 -0.014 1.00 0.00 C ATOM 479 CD ARG A 43 -18.053 6.688 1.058 1.00 0.00 C ATOM 480 NE ARG A 43 -18.372 7.722 2.038 1.00 0.00 N ATOM 481 CZ ARG A 43 -19.154 7.517 3.092 1.00 0.00 C ATOM 482 NH1 ARG A 43 -19.699 6.321 3.290 1.00 0.00 N ATOM 483 NH2 ARG A 43 -19.390 8.501 3.948 1.00 0.00 N ATOM 0 H ARG A 43 -14.255 6.113 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.541 4.544 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.110 6.468 -1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.631 5.668 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.196 7.577 0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.557 7.997 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.973 6.341 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.613 5.831 1.568 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.973 8.651 1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.516 5.562 2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.300 6.162 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.971 9.419 3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.991 8.341 4.756 1.00 0.00 H new ATOM 497 N THR A 44 -14.607 3.583 -1.832 1.00 0.00 N ATOM 498 CA THR A 44 -14.353 2.471 -2.733 1.00 0.00 C ATOM 499 C THR A 44 -14.071 1.197 -1.947 1.00 0.00 C ATOM 500 O THR A 44 -13.612 1.258 -0.807 1.00 0.00 O ATOM 501 CB THR A 44 -13.173 2.757 -3.685 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.069 3.327 -2.974 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.590 3.685 -4.815 1.00 0.00 C ATOM 0 H THR A 44 -13.807 4.194 -1.668 1.00 0.00 H new ATOM 0 HA THR A 44 -15.252 2.339 -3.335 1.00 0.00 H new ATOM 0 HB THR A 44 -12.863 1.804 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.203 3.206 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.737 3.868 -5.469 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.394 3.223 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.938 4.631 -4.400 1.00 0.00 H new ATOM 511 N PRO A 45 -14.363 0.026 -2.531 1.00 0.00 N ATOM 512 CA PRO A 45 -14.088 -1.258 -1.888 1.00 0.00 C ATOM 513 C PRO A 45 -12.594 -1.480 -1.676 1.00 0.00 C ATOM 514 O PRO A 45 -11.762 -0.929 -2.401 1.00 0.00 O ATOM 515 CB PRO A 45 -14.650 -2.293 -2.867 1.00 0.00 C ATOM 516 CG PRO A 45 -14.736 -1.585 -4.174 1.00 0.00 C ATOM 517 CD PRO A 45 -14.989 -0.140 -3.852 1.00 0.00 C ATOM 0 HA PRO A 45 -14.536 -1.318 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.000 -3.166 -2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.629 -2.648 -2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.813 -1.701 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.540 -1.994 -4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.543 0.522 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.055 0.085 -3.823 1.00 0.00 H new ATOM 525 N THR A 46 -12.265 -2.295 -0.687 1.00 0.00 N ATOM 526 CA THR A 46 -10.882 -2.561 -0.328 1.00 0.00 C ATOM 527 C THR A 46 -10.113 -3.161 -1.499 1.00 0.00 C ATOM 528 O THR A 46 -8.955 -2.818 -1.733 1.00 0.00 O ATOM 529 CB THR A 46 -10.821 -3.539 0.845 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.917 -3.286 1.734 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.516 -3.407 1.606 1.00 0.00 C ATOM 0 H THR A 46 -12.947 -2.789 -0.112 1.00 0.00 H new ATOM 0 HA THR A 46 -10.427 -1.610 -0.051 1.00 0.00 H new ATOM 0 HB THR A 46 -10.884 -4.552 0.448 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.880 -3.914 2.486 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.504 -4.116 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.682 -3.617 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.423 -2.393 1.995 1.00 0.00 H new ATOM 539 N SER A 47 -10.771 -4.049 -2.237 1.00 0.00 N ATOM 540 CA SER A 47 -10.149 -4.713 -3.371 1.00 0.00 C ATOM 541 C SER A 47 -9.662 -3.692 -4.399 1.00 0.00 C ATOM 542 O SER A 47 -8.551 -3.805 -4.917 1.00 0.00 O ATOM 543 CB SER A 47 -11.136 -5.691 -4.009 1.00 0.00 C ATOM 544 OG SER A 47 -11.713 -6.536 -3.025 1.00 0.00 O ATOM 0 H SER A 47 -11.738 -4.324 -2.067 1.00 0.00 H new ATOM 0 HA SER A 47 -9.282 -5.270 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.920 -5.138 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.624 -6.294 -4.759 1.00 0.00 H new ATOM 0 HG SER A 47 -12.343 -7.153 -3.452 1.00 0.00 H new ATOM 550 N SER A 48 -10.481 -2.678 -4.654 1.00 0.00 N ATOM 551 CA SER A 48 -10.129 -1.619 -5.577 1.00 0.00 C ATOM 552 C SER A 48 -8.904 -0.855 -5.095 1.00 0.00 C ATOM 553 O SER A 48 -7.994 -0.563 -5.875 1.00 0.00 O ATOM 554 CB SER A 48 -11.305 -0.670 -5.723 1.00 0.00 C ATOM 555 OG SER A 48 -12.413 -1.318 -6.326 1.00 0.00 O ATOM 0 H SER A 48 -11.401 -2.572 -4.227 1.00 0.00 H new ATOM 0 HA SER A 48 -9.889 -2.064 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.592 -0.289 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.010 0.189 -6.326 1.00 0.00 H new ATOM 0 HG SER A 48 -13.097 -0.654 -6.553 1.00 0.00 H new ATOM 561 N LYS A 49 -8.889 -0.542 -3.804 1.00 0.00 N ATOM 562 CA LYS A 49 -7.776 0.176 -3.196 1.00 0.00 C ATOM 563 C LYS A 49 -6.480 -0.589 -3.404 1.00 0.00 C ATOM 564 O LYS A 49 -5.479 -0.035 -3.861 1.00 0.00 O ATOM 565 CB LYS A 49 -8.006 0.350 -1.698 1.00 0.00 C ATOM 566 CG LYS A 49 -9.332 0.991 -1.337 1.00 0.00 C ATOM 567 CD LYS A 49 -9.501 1.080 0.173 1.00 0.00 C ATOM 568 CE LYS A 49 -10.928 1.429 0.548 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.110 1.548 2.020 1.00 0.00 N ATOM 0 H LYS A 49 -9.640 -0.776 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.708 1.155 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.946 -0.627 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.199 0.957 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.388 1.989 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.149 0.410 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.225 0.129 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.823 1.834 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.207 2.369 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.601 0.664 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.100 1.788 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.869 0.644 2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.488 2.296 2.387 1.00 0.00 H new ATOM 583 N VAL A 50 -6.517 -1.874 -3.077 1.00 0.00 N ATOM 584 CA VAL A 50 -5.328 -2.716 -3.160 1.00 0.00 C ATOM 585 C VAL A 50 -4.853 -2.858 -4.608 1.00 0.00 C ATOM 586 O VAL A 50 -3.654 -2.810 -4.889 1.00 0.00 O ATOM 587 CB VAL A 50 -5.586 -4.114 -2.559 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.334 -4.971 -2.619 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.078 -3.999 -1.124 1.00 0.00 C ATOM 0 H VAL A 50 -7.355 -2.357 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.547 -2.226 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.360 -4.597 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.543 -5.951 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.023 -5.089 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.536 -4.489 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.254 -4.995 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.326 -3.490 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.007 -3.429 -1.102 1.00 0.00 H new ATOM 599 N HIS A 51 -5.801 -3.019 -5.525 1.00 0.00 N ATOM 600 CA HIS A 51 -5.477 -3.167 -6.942 1.00 0.00 C ATOM 601 C HIS A 51 -4.840 -1.893 -7.491 1.00 0.00 C ATOM 602 O HIS A 51 -3.909 -1.954 -8.295 1.00 0.00 O ATOM 603 CB HIS A 51 -6.730 -3.517 -7.754 1.00 0.00 C ATOM 604 CG HIS A 51 -7.280 -4.887 -7.479 1.00 0.00 C ATOM 605 ND1 HIS A 51 -8.312 -5.442 -8.204 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.940 -5.812 -6.549 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.583 -6.643 -7.731 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.764 -6.894 -6.728 1.00 0.00 N ATOM 0 H HIS A 51 -6.799 -3.051 -5.314 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.760 -3.983 -7.035 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.503 -2.778 -7.544 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.495 -3.439 -8.815 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.164 -5.715 -5.804 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.347 -7.309 -8.103 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.746 -7.752 -6.176 1.00 0.00 H new ATOM 617 N PHE A 52 -5.335 -0.745 -7.043 1.00 0.00 N ATOM 618 CA PHE A 52 -4.801 0.540 -7.478 1.00 0.00 C ATOM 619 C PHE A 52 -3.359 0.700 -7.012 1.00 0.00 C ATOM 620 O PHE A 52 -2.485 1.092 -7.785 1.00 0.00 O ATOM 621 CB PHE A 52 -5.651 1.690 -6.930 1.00 0.00 C ATOM 622 CG PHE A 52 -5.207 3.051 -7.393 1.00 0.00 C ATOM 623 CD1 PHE A 52 -5.783 3.635 -8.508 1.00 0.00 C ATOM 624 CD2 PHE A 52 -4.217 3.746 -6.714 1.00 0.00 C ATOM 625 CE1 PHE A 52 -5.383 4.886 -8.937 1.00 0.00 C ATOM 626 CE2 PHE A 52 -3.813 4.996 -7.140 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.396 5.566 -8.253 1.00 0.00 C ATOM 0 H PHE A 52 -6.106 -0.678 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.829 0.569 -8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.688 1.536 -7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.625 1.661 -5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.554 3.107 -9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.757 3.305 -5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.842 5.331 -9.807 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.041 5.527 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.080 6.543 -8.588 1.00 0.00 H new ATOM 637 N LEU A 53 -3.124 0.395 -5.745 1.00 0.00 N ATOM 638 CA LEU A 53 -1.796 0.521 -5.163 1.00 0.00 C ATOM 639 C LEU A 53 -0.802 -0.410 -5.853 1.00 0.00 C ATOM 640 O LEU A 53 0.350 -0.038 -6.074 1.00 0.00 O ATOM 641 CB LEU A 53 -1.850 0.247 -3.661 1.00 0.00 C ATOM 642 CG LEU A 53 -2.721 1.224 -2.867 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.714 0.873 -1.391 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.252 2.656 -3.077 1.00 0.00 C ATOM 0 H LEU A 53 -3.837 0.058 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.450 1.543 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.224 -0.764 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.836 0.278 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.744 1.141 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.339 1.580 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.104 -0.136 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.694 0.922 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.885 3.334 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.219 2.753 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.316 2.908 -4.136 1.00 0.00 H new ATOM 656 N LYS A 54 -1.255 -1.608 -6.214 1.00 0.00 N ATOM 657 CA LYS A 54 -0.421 -2.535 -6.975 1.00 0.00 C ATOM 658 C LYS A 54 -0.035 -1.912 -8.315 1.00 0.00 C ATOM 659 O LYS A 54 1.112 -2.006 -8.759 1.00 0.00 O ATOM 660 CB LYS A 54 -1.152 -3.855 -7.226 1.00 0.00 C ATOM 661 CG LYS A 54 -0.313 -4.855 -8.012 1.00 0.00 C ATOM 662 CD LYS A 54 -1.088 -6.109 -8.385 1.00 0.00 C ATOM 663 CE LYS A 54 -2.231 -5.803 -9.342 1.00 0.00 C ATOM 664 NZ LYS A 54 -2.885 -7.042 -9.838 1.00 0.00 N ATOM 0 H LYS A 54 -2.187 -1.958 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 54 0.475 -2.737 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.434 -4.296 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.075 -3.656 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.057 -4.378 -8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.559 -5.135 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.413 -6.831 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.484 -6.573 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.969 -5.179 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.853 -5.229 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.658 -6.791 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.187 -7.626 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.269 -7.578 -9.034 1.00 0.00 H new ATOM 678 N SER A 55 -1.010 -1.263 -8.944 1.00 0.00 N ATOM 679 CA SER A 55 -0.808 -0.587 -10.220 1.00 0.00 C ATOM 680 C SER A 55 0.200 0.553 -10.077 1.00 0.00 C ATOM 681 O SER A 55 0.861 0.939 -11.040 1.00 0.00 O ATOM 682 CB SER A 55 -2.151 -0.055 -10.737 1.00 0.00 C ATOM 683 OG SER A 55 -2.000 0.691 -11.935 1.00 0.00 O ATOM 0 H SER A 55 -1.961 -1.191 -8.583 1.00 0.00 H new ATOM 0 HA SER A 55 -0.405 -1.302 -10.938 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.829 -0.890 -10.913 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.610 0.573 -9.974 1.00 0.00 H new ATOM 0 HG SER A 55 -2.877 1.011 -12.234 1.00 0.00 H new ATOM 689 N LYS A 56 0.326 1.075 -8.865 1.00 0.00 N ATOM 690 CA LYS A 56 1.256 2.156 -8.584 1.00 0.00 C ATOM 691 C LYS A 56 2.655 1.624 -8.290 1.00 0.00 C ATOM 692 O LYS A 56 3.544 2.375 -7.896 1.00 0.00 O ATOM 693 CB LYS A 56 0.746 2.997 -7.416 1.00 0.00 C ATOM 694 CG LYS A 56 -0.254 4.064 -7.830 1.00 0.00 C ATOM 695 CD LYS A 56 0.430 5.197 -8.582 1.00 0.00 C ATOM 696 CE LYS A 56 -0.573 6.207 -9.117 1.00 0.00 C ATOM 697 NZ LYS A 56 -1.372 5.657 -10.244 1.00 0.00 N ATOM 0 H LYS A 56 -0.210 0.763 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 56 1.322 2.785 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.281 2.340 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.594 3.475 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.025 3.619 -8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.754 4.460 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.134 5.700 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.009 4.787 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.243 6.513 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.045 7.101 -9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.356 6.326 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.965 4.749 -10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.354 5.510 -9.934 1.00 0.00 H new ATOM 711 N GLY A 57 2.843 0.325 -8.477 1.00 0.00 N ATOM 712 CA GLY A 57 4.158 -0.262 -8.325 1.00 0.00 C ATOM 713 C GLY A 57 4.437 -0.703 -6.908 1.00 0.00 C ATOM 714 O GLY A 57 5.560 -1.094 -6.580 1.00 0.00 O ATOM 0 H GLY A 57 2.107 -0.333 -8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.249 -1.119 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.913 0.462 -8.631 1.00 0.00 H new ATOM 718 N LEU A 58 3.420 -0.651 -6.061 1.00 0.00 N ATOM 719 CA LEU A 58 3.574 -1.058 -4.676 1.00 0.00 C ATOM 720 C LEU A 58 3.617 -2.567 -4.552 1.00 0.00 C ATOM 721 O LEU A 58 2.989 -3.291 -5.324 1.00 0.00 O ATOM 722 CB LEU A 58 2.444 -0.520 -3.802 1.00 0.00 C ATOM 723 CG LEU A 58 2.702 0.838 -3.154 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.551 1.965 -4.164 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.778 1.028 -1.967 1.00 0.00 C ATOM 0 H LEU A 58 2.483 -0.332 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 58 4.519 -0.638 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.542 -0.447 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.241 -1.246 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 58 3.731 0.865 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.740 2.920 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.266 1.825 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.538 1.959 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.968 1.999 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.742 0.981 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.959 0.241 -1.235 1.00 0.00 H new ATOM 737 N SER A 59 4.369 -3.027 -3.574 1.00 0.00 N ATOM 738 CA SER A 59 4.425 -4.432 -3.256 1.00 0.00 C ATOM 739 C SER A 59 3.365 -4.740 -2.203 1.00 0.00 C ATOM 740 O SER A 59 2.865 -3.825 -1.545 1.00 0.00 O ATOM 741 CB SER A 59 5.822 -4.775 -2.744 1.00 0.00 C ATOM 742 OG SER A 59 6.818 -4.300 -3.637 1.00 0.00 O ATOM 0 H SER A 59 4.955 -2.438 -2.982 1.00 0.00 H new ATOM 0 HA SER A 59 4.226 -5.035 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.971 -4.334 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.917 -5.855 -2.628 1.00 0.00 H new ATOM 0 HG SER A 59 7.705 -4.529 -3.289 1.00 0.00 H new ATOM 748 N ALA A 60 3.029 -6.010 -2.040 1.00 0.00 N ATOM 749 CA ALA A 60 1.995 -6.411 -1.093 1.00 0.00 C ATOM 750 C ALA A 60 2.336 -5.950 0.323 1.00 0.00 C ATOM 751 O ALA A 60 1.457 -5.562 1.092 1.00 0.00 O ATOM 752 CB ALA A 60 1.801 -7.918 -1.135 1.00 0.00 C ATOM 0 H ALA A 60 3.456 -6.783 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 60 1.061 -5.930 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.027 -8.205 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.501 -8.218 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.736 -8.413 -0.873 1.00 0.00 H new ATOM 758 N GLU A 61 3.621 -5.980 0.647 1.00 0.00 N ATOM 759 CA GLU A 61 4.104 -5.540 1.951 1.00 0.00 C ATOM 760 C GLU A 61 3.843 -4.052 2.164 1.00 0.00 C ATOM 761 O GLU A 61 3.434 -3.634 3.249 1.00 0.00 O ATOM 762 CB GLU A 61 5.598 -5.825 2.068 1.00 0.00 C ATOM 763 CG GLU A 61 5.934 -7.301 1.997 1.00 0.00 C ATOM 764 CD GLU A 61 7.385 -7.541 1.658 1.00 0.00 C ATOM 765 OE1 GLU A 61 7.707 -7.653 0.458 1.00 0.00 O ATOM 766 OE2 GLU A 61 8.211 -7.612 2.588 1.00 0.00 O ATOM 0 H GLU A 61 4.355 -6.308 0.019 1.00 0.00 H new ATOM 0 HA GLU A 61 3.563 -6.092 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.124 -5.301 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.965 -5.421 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.704 -7.770 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.304 -7.779 1.247 1.00 0.00 H new ATOM 773 N GLU A 62 4.071 -3.260 1.122 1.00 0.00 N ATOM 774 CA GLU A 62 3.885 -1.816 1.198 1.00 0.00 C ATOM 775 C GLU A 62 2.420 -1.505 1.461 1.00 0.00 C ATOM 776 O GLU A 62 2.081 -0.689 2.318 1.00 0.00 O ATOM 777 CB GLU A 62 4.315 -1.143 -0.110 1.00 0.00 C ATOM 778 CG GLU A 62 5.557 -1.745 -0.744 1.00 0.00 C ATOM 779 CD GLU A 62 6.785 -1.666 0.135 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.025 -2.603 0.921 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.535 -0.683 0.014 1.00 0.00 O ATOM 0 H GLU A 62 4.386 -3.595 0.212 1.00 0.00 H new ATOM 0 HA GLU A 62 4.501 -1.431 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.492 -1.202 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.495 -0.085 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.361 -2.789 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.760 -1.232 -1.684 1.00 0.00 H new ATOM 788 N ILE A 63 1.562 -2.188 0.716 1.00 0.00 N ATOM 789 CA ILE A 63 0.123 -2.025 0.833 1.00 0.00 C ATOM 790 C ILE A 63 -0.357 -2.441 2.224 1.00 0.00 C ATOM 791 O ILE A 63 -1.161 -1.749 2.848 1.00 0.00 O ATOM 792 CB ILE A 63 -0.603 -2.859 -0.244 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.071 -2.499 -1.635 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.104 -2.634 -0.175 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.586 -3.398 -2.739 1.00 0.00 C ATOM 0 H ILE A 63 1.846 -2.871 0.013 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.112 -0.971 0.683 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.408 -3.915 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.343 -1.468 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.018 -2.545 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.597 -3.231 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.472 -2.931 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.322 -1.579 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.165 -3.080 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.291 -4.428 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.673 -3.334 -2.783 1.00 0.00 H new ATOM 807 N CYS A 64 0.166 -3.565 2.705 1.00 0.00 N ATOM 808 CA CYS A 64 -0.175 -4.079 4.030 1.00 0.00 C ATOM 809 C CYS A 64 0.115 -3.042 5.115 1.00 0.00 C ATOM 810 O CYS A 64 -0.717 -2.793 5.995 1.00 0.00 O ATOM 811 CB CYS A 64 0.614 -5.365 4.305 1.00 0.00 C ATOM 812 SG CYS A 64 0.388 -6.048 5.965 1.00 0.00 S ATOM 0 H CYS A 64 0.833 -4.142 2.193 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.243 -4.297 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.321 -6.118 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.674 -5.165 4.150 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.877 -6.257 6.180 1.00 0.00 H new ATOM 818 N GLU A 65 1.289 -2.431 5.037 1.00 0.00 N ATOM 819 CA GLU A 65 1.699 -1.444 6.013 1.00 0.00 C ATOM 820 C GLU A 65 0.844 -0.187 5.900 1.00 0.00 C ATOM 821 O GLU A 65 0.327 0.313 6.900 1.00 0.00 O ATOM 822 CB GLU A 65 3.173 -1.111 5.819 1.00 0.00 C ATOM 823 CG GLU A 65 3.655 -0.003 6.723 1.00 0.00 C ATOM 824 CD GLU A 65 5.160 0.157 6.700 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.867 -0.837 6.978 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.642 1.275 6.427 1.00 0.00 O ATOM 0 H GLU A 65 1.974 -2.606 4.302 1.00 0.00 H new ATOM 0 HA GLU A 65 1.558 -1.856 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.768 -2.006 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.341 -0.823 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.189 0.935 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.331 -0.206 7.744 1.00 0.00 H new ATOM 833 N ALA A 66 0.676 0.295 4.673 1.00 0.00 N ATOM 834 CA ALA A 66 -0.107 1.498 4.417 1.00 0.00 C ATOM 835 C ALA A 66 -1.520 1.349 4.953 1.00 0.00 C ATOM 836 O ALA A 66 -2.032 2.239 5.628 1.00 0.00 O ATOM 837 CB ALA A 66 -0.148 1.800 2.928 1.00 0.00 C ATOM 0 H ALA A 66 1.074 -0.132 3.836 1.00 0.00 H new ATOM 0 HA ALA A 66 0.375 2.328 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.737 2.701 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.866 1.953 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.603 0.963 2.399 1.00 0.00 H new ATOM 843 N PHE A 67 -2.132 0.209 4.667 1.00 0.00 N ATOM 844 CA PHE A 67 -3.481 -0.077 5.127 1.00 0.00 C ATOM 845 C PHE A 67 -3.577 0.012 6.640 1.00 0.00 C ATOM 846 O PHE A 67 -4.490 0.633 7.180 1.00 0.00 O ATOM 847 CB PHE A 67 -3.925 -1.459 4.654 1.00 0.00 C ATOM 848 CG PHE A 67 -4.819 -1.403 3.453 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.296 -1.345 2.174 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.191 -1.389 3.612 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.131 -1.276 1.074 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.028 -1.322 2.522 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.500 -1.264 1.251 1.00 0.00 C ATOM 0 H PHE A 67 -1.711 -0.538 4.114 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.145 0.674 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.045 -2.057 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.447 -1.966 5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.225 -1.354 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.613 -1.431 4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.713 -1.232 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.099 -1.315 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.156 -1.209 0.395 1.00 0.00 H new ATOM 863 N THR A 68 -2.621 -0.580 7.327 1.00 0.00 N ATOM 864 CA THR A 68 -2.651 -0.595 8.775 1.00 0.00 C ATOM 865 C THR A 68 -2.504 0.824 9.327 1.00 0.00 C ATOM 866 O THR A 68 -3.103 1.172 10.346 1.00 0.00 O ATOM 867 CB THR A 68 -1.550 -1.510 9.339 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.583 -2.781 8.669 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.736 -1.720 10.833 1.00 0.00 C ATOM 0 H THR A 68 -1.820 -1.054 6.910 1.00 0.00 H new ATOM 0 HA THR A 68 -3.615 -0.993 9.091 1.00 0.00 H new ATOM 0 HB THR A 68 -0.586 -1.031 9.171 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.205 -2.687 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.946 -2.370 11.210 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.690 -0.758 11.344 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.706 -2.182 11.017 1.00 0.00 H new ATOM 877 N LYS A 69 -1.735 1.648 8.620 1.00 0.00 N ATOM 878 CA LYS A 69 -1.512 3.030 9.028 1.00 0.00 C ATOM 879 C LYS A 69 -2.750 3.900 8.805 1.00 0.00 C ATOM 880 O LYS A 69 -2.942 4.900 9.495 1.00 0.00 O ATOM 881 CB LYS A 69 -0.313 3.617 8.284 1.00 0.00 C ATOM 882 CG LYS A 69 0.975 2.850 8.540 1.00 0.00 C ATOM 883 CD LYS A 69 2.175 3.770 8.682 1.00 0.00 C ATOM 884 CE LYS A 69 2.483 4.500 7.394 1.00 0.00 C ATOM 885 NZ LYS A 69 3.757 5.258 7.482 1.00 0.00 N ATOM 0 H LYS A 69 -1.255 1.381 7.760 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.303 3.024 10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.522 3.620 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.178 4.656 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.867 2.255 9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.149 2.153 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.985 4.495 9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.045 3.188 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.542 3.783 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.668 5.185 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.934 5.745 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.692 5.959 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.539 4.601 7.680 1.00 0.00 H new ATOM 899 N VAL A 70 -3.584 3.526 7.841 1.00 0.00 N ATOM 900 CA VAL A 70 -4.801 4.290 7.552 1.00 0.00 C ATOM 901 C VAL A 70 -5.963 3.830 8.428 1.00 0.00 C ATOM 902 O VAL A 70 -7.091 4.310 8.286 1.00 0.00 O ATOM 903 CB VAL A 70 -5.212 4.195 6.065 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.033 4.530 5.175 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.780 2.826 5.715 1.00 0.00 C ATOM 0 H VAL A 70 -3.446 2.707 7.249 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.569 5.331 7.777 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.005 4.923 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.335 4.460 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.693 5.544 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.222 3.828 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.055 2.805 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.029 2.060 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.663 2.632 6.324 1.00 0.00 H new ATOM 915 N GLY A 71 -5.686 2.900 9.329 1.00 0.00 N ATOM 916 CA GLY A 71 -6.707 2.433 10.243 1.00 0.00 C ATOM 917 C GLY A 71 -7.406 1.187 9.747 1.00 0.00 C ATOM 918 O GLY A 71 -8.472 0.826 10.240 1.00 0.00 O ATOM 0 H GLY A 71 -4.773 2.460 9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.255 2.229 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.443 3.223 10.394 1.00 0.00 H new ATOM 922 N GLN A 72 -6.809 0.527 8.770 1.00 0.00 N ATOM 923 CA GLN A 72 -7.370 -0.697 8.230 1.00 0.00 C ATOM 924 C GLN A 72 -6.339 -1.815 8.325 1.00 0.00 C ATOM 925 O GLN A 72 -5.528 -2.004 7.422 1.00 0.00 O ATOM 926 CB GLN A 72 -7.787 -0.477 6.774 1.00 0.00 C ATOM 927 CG GLN A 72 -8.465 -1.676 6.135 1.00 0.00 C ATOM 928 CD GLN A 72 -9.800 -1.991 6.768 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.887 -2.778 7.710 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.846 -1.365 6.261 1.00 0.00 N ATOM 0 H GLN A 72 -5.934 0.820 8.334 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.251 -0.980 8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.463 0.377 6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.904 -0.218 6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.607 -1.485 5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.813 -2.545 6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.725 -0.721 5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.775 -1.525 6.651 1.00 0.00 H new ATOM 939 N PRO A 73 -6.354 -2.572 9.423 1.00 0.00 N ATOM 940 CA PRO A 73 -5.366 -3.615 9.654 1.00 0.00 C ATOM 941 C PRO A 73 -5.568 -4.815 8.741 1.00 0.00 C ATOM 942 O PRO A 73 -6.442 -5.657 8.966 1.00 0.00 O ATOM 943 CB PRO A 73 -5.569 -3.996 11.116 1.00 0.00 C ATOM 944 CG PRO A 73 -6.978 -3.617 11.428 1.00 0.00 C ATOM 945 CD PRO A 73 -7.326 -2.463 10.523 1.00 0.00 C ATOM 0 HA PRO A 73 -4.354 -3.270 9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.405 -5.062 11.271 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.867 -3.468 11.761 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.651 -4.458 11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.079 -3.332 12.475 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.351 -2.535 10.159 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.238 -1.508 11.041 1.00 0.00 H new ATOM 953 N LYS A 74 -4.775 -4.854 7.689 1.00 0.00 N ATOM 954 CA LYS A 74 -4.772 -5.964 6.755 1.00 0.00 C ATOM 955 C LYS A 74 -3.453 -6.705 6.838 1.00 0.00 C ATOM 956 O LYS A 74 -2.398 -6.089 7.001 1.00 0.00 O ATOM 957 CB LYS A 74 -4.998 -5.471 5.324 1.00 0.00 C ATOM 958 CG LYS A 74 -6.436 -5.080 5.028 1.00 0.00 C ATOM 959 CD LYS A 74 -7.364 -6.274 5.164 1.00 0.00 C ATOM 960 CE LYS A 74 -8.777 -5.942 4.730 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.687 -7.112 4.880 1.00 0.00 N ATOM 0 H LYS A 74 -4.112 -4.115 7.456 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.585 -6.639 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.353 -4.612 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.694 -6.253 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.750 -4.291 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.506 -4.674 4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.984 -7.100 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.372 -6.612 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.154 -5.109 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.771 -5.616 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.557 -6.947 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.214 -7.968 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.926 -7.239 5.884 1.00 0.00 H new ATOM 975 N THR A 75 -3.515 -8.020 6.750 1.00 0.00 N ATOM 976 CA THR A 75 -2.320 -8.839 6.748 1.00 0.00 C ATOM 977 C THR A 75 -1.720 -8.906 5.353 1.00 0.00 C ATOM 978 O THR A 75 -2.354 -8.508 4.372 1.00 0.00 O ATOM 979 CB THR A 75 -2.625 -10.268 7.229 1.00 0.00 C ATOM 980 OG1 THR A 75 -3.724 -10.809 6.485 1.00 0.00 O ATOM 981 CG2 THR A 75 -2.948 -10.295 8.714 1.00 0.00 C ATOM 0 H THR A 75 -4.386 -8.546 6.679 1.00 0.00 H new ATOM 0 HA THR A 75 -1.608 -8.377 7.432 1.00 0.00 H new ATOM 0 HB THR A 75 -1.735 -10.876 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.912 -11.720 6.795 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.159 -11.319 9.022 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.097 -9.914 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.820 -9.671 8.908 1.00 0.00 H new ATOM 989 N LEU A 76 -0.501 -9.413 5.268 1.00 0.00 N ATOM 990 CA LEU A 76 0.145 -9.633 3.986 1.00 0.00 C ATOM 991 C LEU A 76 -0.649 -10.656 3.186 1.00 0.00 C ATOM 992 O LEU A 76 -0.750 -10.570 1.960 1.00 0.00 O ATOM 993 CB LEU A 76 1.579 -10.120 4.203 1.00 0.00 C ATOM 994 CG LEU A 76 2.383 -10.376 2.929 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.521 -9.098 2.124 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.752 -10.944 3.268 1.00 0.00 C ATOM 0 H LEU A 76 0.062 -9.681 6.075 1.00 0.00 H new ATOM 0 HA LEU A 76 0.178 -8.697 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.109 -9.381 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.548 -11.042 4.784 1.00 0.00 H new ATOM 0 HG LEU A 76 1.848 -11.108 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.096 -9.298 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.532 -8.731 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.035 -8.345 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.311 -11.120 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.295 -10.235 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.633 -11.885 3.806 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.234 -11.606 3.907 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.070 -12.634 3.304 1.00 0.00 C ATOM 1010 C ASN A 77 -3.283 -12.007 2.633 1.00 0.00 C ATOM 1011 O ASN A 77 -3.639 -12.372 1.514 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.526 -13.634 4.365 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.224 -14.837 3.762 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -2.911 -15.257 2.650 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.173 -15.399 4.491 1.00 0.00 N ATOM 0 H ASN A 77 -1.142 -11.684 4.920 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.481 -13.157 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.663 -13.969 4.940 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.201 -13.138 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.676 -16.212 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.403 -15.020 5.410 1.00 0.00 H new ATOM 1022 N GLU A 78 -3.901 -11.048 3.320 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.060 -10.340 2.780 1.00 0.00 C ATOM 1024 C GLU A 78 -4.723 -9.688 1.452 1.00 0.00 C ATOM 1025 O GLU A 78 -5.447 -9.844 0.474 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.539 -9.257 3.751 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.380 -9.775 4.899 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.721 -10.306 4.441 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.592 -9.491 4.068 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -7.913 -11.540 4.465 1.00 0.00 O ATOM 0 H GLU A 78 -3.618 -10.743 4.252 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.851 -11.075 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.670 -8.740 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.118 -8.519 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.837 -10.566 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.537 -8.973 5.621 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.606 -8.978 1.425 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.206 -8.234 0.244 1.00 0.00 C ATOM 1039 C ILE A 79 -2.993 -9.171 -0.941 1.00 0.00 C ATOM 1040 O ILE A 79 -3.521 -8.935 -2.029 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.922 -7.419 0.499 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.082 -6.541 1.747 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.585 -6.563 -0.711 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.276 -5.607 1.698 1.00 0.00 C ATOM 0 H ILE A 79 -2.960 -8.902 2.210 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.014 -7.541 0.010 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.101 -8.116 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.174 -7.185 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.176 -5.949 1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.676 -5.995 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.430 -7.204 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.407 -5.875 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.318 -5.022 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.178 -4.936 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.191 -6.191 1.598 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.240 -10.241 -0.721 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.976 -11.217 -1.772 1.00 0.00 C ATOM 1058 C LYS A 80 -3.261 -11.916 -2.198 1.00 0.00 C ATOM 1059 O LYS A 80 -3.439 -12.241 -3.367 1.00 0.00 O ATOM 1060 CB LYS A 80 -0.931 -12.238 -1.321 1.00 0.00 C ATOM 1061 CG LYS A 80 0.390 -11.596 -0.939 1.00 0.00 C ATOM 1062 CD LYS A 80 1.523 -12.609 -0.881 1.00 0.00 C ATOM 1063 CE LYS A 80 2.836 -11.940 -0.505 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.979 -12.887 -0.529 1.00 0.00 N ATOM 0 H LYS A 80 -1.801 -10.456 0.175 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.577 -10.682 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.319 -12.796 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.762 -12.957 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.637 -10.818 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.289 -11.110 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.285 -13.385 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.626 -13.101 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.033 -11.119 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.748 -11.506 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.851 -12.385 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.806 -13.658 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.082 -13.283 -1.485 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.151 -12.147 -1.245 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.462 -12.727 -1.536 1.00 0.00 C ATOM 1080 C ARG A 81 -6.258 -11.805 -2.460 1.00 0.00 C ATOM 1081 O ARG A 81 -6.855 -12.247 -3.447 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.238 -12.953 -0.234 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.658 -13.462 -0.437 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.679 -14.838 -1.082 1.00 0.00 C ATOM 1085 NE ARG A 81 -9.043 -15.323 -1.280 1.00 0.00 N ATOM 1086 CZ ARG A 81 -9.361 -16.371 -2.036 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -8.411 -17.058 -2.660 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -10.633 -16.733 -2.162 1.00 0.00 N ATOM 0 H ARG A 81 -3.992 -11.942 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.315 -13.685 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.692 -13.667 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.275 -12.016 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.170 -13.504 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.210 -12.760 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.165 -14.797 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.130 -15.541 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.799 -14.827 -0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.434 -16.783 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.659 -17.861 -3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.363 -16.208 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.880 -17.536 -2.741 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.246 -10.524 -2.131 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.973 -9.515 -2.889 1.00 0.00 C ATOM 1104 C ILE A 82 -6.362 -9.321 -4.279 1.00 0.00 C ATOM 1105 O ILE A 82 -7.074 -9.068 -5.254 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.991 -8.178 -2.112 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.754 -8.357 -0.793 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.622 -7.072 -2.944 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.521 -7.254 0.219 1.00 0.00 C ATOM 0 H ILE A 82 -5.733 -10.153 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.998 -9.860 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.963 -7.888 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.821 -8.416 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.466 -9.309 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.622 -6.143 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.049 -6.935 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.647 -7.344 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.098 -7.460 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.461 -7.207 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.836 -6.300 -0.204 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.046 -9.459 -4.372 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.354 -9.334 -5.650 1.00 0.00 C ATOM 1123 C LEU A 83 -4.434 -10.632 -6.440 1.00 0.00 C ATOM 1124 O LEU A 83 -4.265 -10.633 -7.660 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.892 -8.946 -5.430 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.679 -7.581 -4.777 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.197 -7.290 -4.608 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.357 -6.491 -5.591 1.00 0.00 C ATOM 0 H LEU A 83 -4.436 -9.657 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.846 -8.549 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.419 -9.707 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.380 -8.956 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.133 -7.599 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.069 -6.313 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.745 -8.056 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.712 -7.292 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.195 -5.525 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.936 -6.472 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.427 -6.693 -5.649 1.00 0.00 H new ATOM 1140 N SER A 84 -4.698 -11.726 -5.727 1.00 0.00 N ATOM 1141 CA SER A 84 -4.827 -13.047 -6.313 1.00 0.00 C ATOM 1142 C SER A 84 -3.519 -13.512 -6.950 1.00 0.00 C ATOM 1143 O SER A 84 -2.744 -14.210 -6.257 1.00 0.00 O ATOM 1144 CB SER A 84 -5.963 -13.046 -7.322 1.00 0.00 C ATOM 1145 OG SER A 84 -7.204 -12.797 -6.676 1.00 0.00 O ATOM 1146 OXT SER A 84 -3.262 -13.183 -8.123 1.00 0.00 O ATOM 0 H SER A 84 -4.829 -11.713 -4.715 1.00 0.00 H new ATOM 0 HA SER A 84 -5.059 -13.758 -5.520 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.782 -12.285 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.001 -14.006 -7.837 1.00 0.00 H new ATOM 0 HG SER A 84 -7.054 -12.673 -5.716 1.00 0.00 H new