USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 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+ 166:sc= -0.0351 (180deg=-0.273) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00677 K(o=-0.0068,f=-1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 41:sc= 1.17 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -174:sc= -1.19 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00568) USER MOD Single : A 55 SER OG : rot 75:sc= 0.522 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= -0.711 (180deg=-0.712) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 34:sc= 1.18 USER MOD Single : A 68 THR OG1 : rot 77:sc= 0.694 USER MOD Single : A 69 LYS NZ :NH3+ -124:sc= -1.03 (180deg=-3.1!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= 0.257 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -61:sc= 0.607 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.335 6.099 0.692 1.00 0.00 N ATOM 201 CA LYS A 27 7.542 7.022 -0.109 1.00 0.00 C ATOM 202 C LYS A 27 6.325 6.310 -0.694 1.00 0.00 C ATOM 203 O LYS A 27 5.255 6.904 -0.818 1.00 0.00 O ATOM 204 CB LYS A 27 8.377 7.668 -1.224 1.00 0.00 C ATOM 205 CG LYS A 27 8.777 6.721 -2.342 1.00 0.00 C ATOM 206 CD LYS A 27 9.511 7.451 -3.456 1.00 0.00 C ATOM 207 CE LYS A 27 9.901 6.505 -4.580 1.00 0.00 C ATOM 208 NZ LYS A 27 8.714 5.856 -5.193 1.00 0.00 N ATOM 0 HA LYS A 27 7.200 7.821 0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.811 8.495 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.280 8.093 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.414 5.932 -1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.888 6.238 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.877 8.245 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.405 7.927 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.449 7.056 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.574 5.740 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.987 5.411 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.343 5.131 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.980 6.571 -5.370 1.00 0.00 H new ATOM 222 N ARG A 28 6.484 5.030 -1.029 1.00 0.00 N ATOM 223 CA ARG A 28 5.383 4.246 -1.582 1.00 0.00 C ATOM 224 C ARG A 28 4.285 4.063 -0.545 1.00 0.00 C ATOM 225 O ARG A 28 3.106 4.270 -0.833 1.00 0.00 O ATOM 226 CB ARG A 28 5.862 2.878 -2.079 1.00 0.00 C ATOM 227 CG ARG A 28 6.760 2.950 -3.302 1.00 0.00 C ATOM 228 CD ARG A 28 6.846 1.609 -4.017 1.00 0.00 C ATOM 229 NE ARG A 28 7.426 0.561 -3.177 1.00 0.00 N ATOM 230 CZ ARG A 28 7.974 -0.556 -3.656 1.00 0.00 C ATOM 231 NH1 ARG A 28 7.981 -0.794 -4.964 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.493 -1.442 -2.821 1.00 0.00 N ATOM 0 H ARG A 28 7.360 4.517 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 28 4.984 4.797 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.400 2.377 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.993 2.262 -2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.379 3.705 -3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.759 3.267 -3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.848 1.305 -4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.447 1.720 -4.920 1.00 0.00 H new ATOM 0 HE ARG A 28 7.410 0.693 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.566 -0.120 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.402 -1.650 -5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.473 -1.269 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.913 -2.298 -3.182 1.00 0.00 H new ATOM 246 N VAL A 29 4.680 3.689 0.665 1.00 0.00 N ATOM 247 CA VAL A 29 3.736 3.540 1.762 1.00 0.00 C ATOM 248 C VAL A 29 3.054 4.874 2.056 1.00 0.00 C ATOM 249 O VAL A 29 1.842 4.929 2.243 1.00 0.00 O ATOM 250 CB VAL A 29 4.429 3.005 3.035 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.468 2.974 4.214 1.00 0.00 C ATOM 252 CG2 VAL A 29 4.997 1.616 2.780 1.00 0.00 C ATOM 0 H VAL A 29 5.648 3.483 0.911 1.00 0.00 H new ATOM 0 HA VAL A 29 2.984 2.812 1.459 1.00 0.00 H new ATOM 0 HB VAL A 29 5.246 3.682 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.985 2.593 5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.105 3.982 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.625 2.325 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.483 1.250 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.190 0.938 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.726 1.664 1.971 1.00 0.00 H new ATOM 262 N SER A 30 3.837 5.949 2.055 1.00 0.00 N ATOM 263 CA SER A 30 3.300 7.287 2.279 1.00 0.00 C ATOM 264 C SER A 30 2.238 7.629 1.231 1.00 0.00 C ATOM 265 O SER A 30 1.152 8.105 1.567 1.00 0.00 O ATOM 266 CB SER A 30 4.429 8.319 2.244 1.00 0.00 C ATOM 267 OG SER A 30 5.436 8.004 3.194 1.00 0.00 O ATOM 0 H SER A 30 4.845 5.919 1.902 1.00 0.00 H new ATOM 0 HA SER A 30 2.829 7.309 3.262 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.864 8.353 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.027 9.311 2.451 1.00 0.00 H new ATOM 0 HG SER A 30 6.147 8.677 3.152 1.00 0.00 H new ATOM 273 N ASN A 31 2.550 7.355 -0.033 1.00 0.00 N ATOM 274 CA ASN A 31 1.627 7.612 -1.135 1.00 0.00 C ATOM 275 C ASN A 31 0.349 6.798 -0.980 1.00 0.00 C ATOM 276 O ASN A 31 -0.739 7.252 -1.329 1.00 0.00 O ATOM 277 CB ASN A 31 2.284 7.284 -2.479 1.00 0.00 C ATOM 278 CG ASN A 31 3.355 8.281 -2.872 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.284 9.460 -2.530 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.355 7.819 -3.601 1.00 0.00 N ATOM 0 H ASN A 31 3.442 6.952 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 31 1.373 8.672 -1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.723 6.288 -2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.519 7.256 -3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.102 8.447 -3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.381 6.834 -3.866 1.00 0.00 H new ATOM 287 N ALA A 32 0.489 5.588 -0.470 1.00 0.00 N ATOM 288 CA ALA A 32 -0.651 4.710 -0.259 1.00 0.00 C ATOM 289 C ALA A 32 -1.496 5.186 0.911 1.00 0.00 C ATOM 290 O ALA A 32 -2.715 5.238 0.815 1.00 0.00 O ATOM 291 CB ALA A 32 -0.188 3.283 -0.039 1.00 0.00 C ATOM 0 H ALA A 32 1.385 5.188 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.271 4.738 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.054 2.640 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.365 2.941 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.458 3.241 0.838 1.00 0.00 H new ATOM 297 N VAL A 33 -0.840 5.557 2.004 1.00 0.00 N ATOM 298 CA VAL A 33 -1.541 6.029 3.194 1.00 0.00 C ATOM 299 C VAL A 33 -2.352 7.281 2.877 1.00 0.00 C ATOM 300 O VAL A 33 -3.508 7.405 3.285 1.00 0.00 O ATOM 301 CB VAL A 33 -0.551 6.325 4.350 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.255 6.953 5.545 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.161 5.052 4.779 1.00 0.00 C ATOM 0 H VAL A 33 0.176 5.540 2.092 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.217 5.236 3.514 1.00 0.00 H new ATOM 0 HB VAL A 33 0.183 7.039 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.529 7.146 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.719 7.891 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.021 6.272 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.852 5.278 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.573 4.322 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.715 4.643 3.934 1.00 0.00 H new ATOM 313 N GLU A 34 -1.752 8.194 2.127 1.00 0.00 N ATOM 314 CA GLU A 34 -2.424 9.429 1.757 1.00 0.00 C ATOM 315 C GLU A 34 -3.568 9.159 0.774 1.00 0.00 C ATOM 316 O GLU A 34 -4.593 9.838 0.800 1.00 0.00 O ATOM 317 CB GLU A 34 -1.422 10.433 1.175 1.00 0.00 C ATOM 318 CG GLU A 34 -0.869 10.056 -0.185 1.00 0.00 C ATOM 319 CD GLU A 34 0.062 11.112 -0.740 1.00 0.00 C ATOM 320 OE1 GLU A 34 1.119 11.361 -0.123 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.258 11.700 -1.793 1.00 0.00 O ATOM 0 H GLU A 34 -0.803 8.102 1.764 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.858 9.864 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.906 11.407 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.592 10.544 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.335 9.109 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.694 9.901 -0.880 1.00 0.00 H new ATOM 328 N PHE A 35 -3.388 8.166 -0.094 1.00 0.00 N ATOM 329 CA PHE A 35 -4.424 7.788 -1.050 1.00 0.00 C ATOM 330 C PHE A 35 -5.575 7.076 -0.347 1.00 0.00 C ATOM 331 O PHE A 35 -6.741 7.364 -0.598 1.00 0.00 O ATOM 332 CB PHE A 35 -3.830 6.890 -2.142 1.00 0.00 C ATOM 333 CG PHE A 35 -4.842 6.358 -3.118 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.282 5.046 -3.033 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.352 7.169 -4.119 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.209 4.552 -3.930 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.279 6.680 -5.019 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.709 5.371 -4.923 1.00 0.00 C ATOM 0 H PHE A 35 -2.535 7.610 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.815 8.695 -1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.075 7.454 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.321 6.050 -1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.895 4.403 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.021 8.194 -4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.542 3.527 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.667 7.321 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.436 4.988 -5.624 1.00 0.00 H new ATOM 348 N LEU A 36 -5.238 6.170 0.558 1.00 0.00 N ATOM 349 CA LEU A 36 -6.231 5.374 1.265 1.00 0.00 C ATOM 350 C LEU A 36 -7.091 6.233 2.185 1.00 0.00 C ATOM 351 O LEU A 36 -8.265 5.936 2.402 1.00 0.00 O ATOM 352 CB LEU A 36 -5.543 4.270 2.061 1.00 0.00 C ATOM 353 CG LEU A 36 -4.886 3.172 1.222 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.154 2.186 2.117 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.922 2.454 0.372 1.00 0.00 C ATOM 0 H LEU A 36 -4.274 5.966 0.822 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.891 4.926 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.782 4.723 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.277 3.809 2.722 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.160 3.637 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.693 1.412 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.383 2.710 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.861 1.728 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.434 1.677 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.673 2.001 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.402 3.168 -0.297 1.00 0.00 H new ATOM 367 N LEU A 37 -6.508 7.297 2.718 1.00 0.00 N ATOM 368 CA LEU A 37 -7.209 8.159 3.661 1.00 0.00 C ATOM 369 C LEU A 37 -8.029 9.229 2.952 1.00 0.00 C ATOM 370 O LEU A 37 -8.598 10.117 3.592 1.00 0.00 O ATOM 371 CB LEU A 37 -6.218 8.810 4.626 1.00 0.00 C ATOM 372 CG LEU A 37 -5.978 8.027 5.913 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.849 8.648 6.720 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.257 7.982 6.734 1.00 0.00 C ATOM 0 H LEU A 37 -5.551 7.585 2.514 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.900 7.531 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.265 8.942 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.582 9.805 4.884 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.686 7.009 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.696 8.073 7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.933 8.642 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.108 9.675 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.080 7.422 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.566 8.997 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.043 7.495 6.157 1.00 0.00 H new ATOM 386 N ASP A 38 -8.102 9.139 1.636 1.00 0.00 N ATOM 387 CA ASP A 38 -8.923 10.057 0.864 1.00 0.00 C ATOM 388 C ASP A 38 -10.388 9.650 0.972 1.00 0.00 C ATOM 389 O ASP A 38 -10.714 8.467 0.867 1.00 0.00 O ATOM 390 CB ASP A 38 -8.486 10.062 -0.603 1.00 0.00 C ATOM 391 CG ASP A 38 -9.210 11.103 -1.433 1.00 0.00 C ATOM 392 OD1 ASP A 38 -10.343 10.835 -1.879 1.00 0.00 O ATOM 393 OD2 ASP A 38 -8.643 12.193 -1.660 1.00 0.00 O ATOM 0 H ASP A 38 -7.605 8.443 1.080 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.799 11.063 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.413 10.245 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.663 9.076 -1.032 1.00 0.00 H new ATOM 398 N SER A 39 -11.265 10.626 1.177 1.00 0.00 N ATOM 399 CA SER A 39 -12.685 10.360 1.388 1.00 0.00 C ATOM 400 C SER A 39 -13.298 9.590 0.213 1.00 0.00 C ATOM 401 O SER A 39 -14.161 8.727 0.405 1.00 0.00 O ATOM 402 CB SER A 39 -13.423 11.681 1.602 1.00 0.00 C ATOM 403 OG SER A 39 -12.824 12.433 2.647 1.00 0.00 O ATOM 0 H SER A 39 -11.016 11.615 1.202 1.00 0.00 H new ATOM 0 HA SER A 39 -12.788 9.734 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.413 12.261 0.679 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.467 11.484 1.843 1.00 0.00 H new ATOM 0 HG SER A 39 -13.312 13.275 2.765 1.00 0.00 H new ATOM 409 N ARG A 40 -12.840 9.899 -0.996 1.00 0.00 N ATOM 410 CA ARG A 40 -13.329 9.237 -2.204 1.00 0.00 C ATOM 411 C ARG A 40 -12.870 7.785 -2.243 1.00 0.00 C ATOM 412 O ARG A 40 -13.630 6.886 -2.599 1.00 0.00 O ATOM 413 CB ARG A 40 -12.837 9.967 -3.457 1.00 0.00 C ATOM 414 CG ARG A 40 -13.391 11.372 -3.614 1.00 0.00 C ATOM 415 CD ARG A 40 -12.674 12.127 -4.723 1.00 0.00 C ATOM 416 NE ARG A 40 -13.198 13.481 -4.901 1.00 0.00 N ATOM 417 CZ ARG A 40 -12.632 14.402 -5.685 1.00 0.00 C ATOM 418 NH1 ARG A 40 -11.503 14.132 -6.328 1.00 0.00 N ATOM 419 NH2 ARG A 40 -13.189 15.598 -5.812 1.00 0.00 N ATOM 0 H ARG A 40 -12.127 10.608 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.418 9.264 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.749 10.018 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.107 9.381 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.457 11.322 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.285 11.914 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.609 12.179 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.773 11.576 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.046 13.737 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.063 13.217 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.075 14.839 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.050 15.815 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.756 16.301 -6.411 1.00 0.00 H new ATOM 433 N VAL A 41 -11.620 7.567 -1.863 1.00 0.00 N ATOM 434 CA VAL A 41 -11.021 6.239 -1.896 1.00 0.00 C ATOM 435 C VAL A 41 -11.592 5.358 -0.791 1.00 0.00 C ATOM 436 O VAL A 41 -11.742 4.146 -0.956 1.00 0.00 O ATOM 437 CB VAL A 41 -9.491 6.329 -1.758 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.858 4.945 -1.763 1.00 0.00 C ATOM 439 CG2 VAL A 41 -8.922 7.187 -2.876 1.00 0.00 C ATOM 0 H VAL A 41 -10.995 8.299 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.261 5.788 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.255 6.795 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.777 5.039 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.249 4.363 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.094 4.440 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.839 7.247 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.171 6.741 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.348 8.189 -2.819 1.00 0.00 H new ATOM 449 N ARG A 42 -11.925 5.973 0.329 1.00 0.00 N ATOM 450 CA ARG A 42 -12.572 5.262 1.424 1.00 0.00 C ATOM 451 C ARG A 42 -13.967 4.797 1.012 1.00 0.00 C ATOM 452 O ARG A 42 -14.521 3.866 1.594 1.00 0.00 O ATOM 453 CB ARG A 42 -12.659 6.149 2.665 1.00 0.00 C ATOM 454 CG ARG A 42 -11.306 6.553 3.221 1.00 0.00 C ATOM 455 CD ARG A 42 -11.443 7.316 4.525 1.00 0.00 C ATOM 456 NE ARG A 42 -12.016 6.482 5.585 1.00 0.00 N ATOM 457 CZ ARG A 42 -11.709 6.591 6.880 1.00 0.00 C ATOM 458 NH1 ARG A 42 -10.860 7.525 7.293 1.00 0.00 N ATOM 459 NH2 ARG A 42 -12.268 5.769 7.761 1.00 0.00 N ATOM 0 H ARG A 42 -11.759 6.964 0.507 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.969 4.386 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.224 7.048 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.218 5.623 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.698 5.663 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.782 7.170 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.464 7.680 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.074 8.191 4.370 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.695 5.770 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.438 8.165 6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.630 7.603 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.929 5.058 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.036 5.849 8.751 1.00 0.00 H new ATOM 473 N ARG A 43 -14.522 5.451 -0.003 1.00 0.00 N ATOM 474 CA ARG A 43 -15.869 5.154 -0.470 1.00 0.00 C ATOM 475 C ARG A 43 -15.877 3.931 -1.389 1.00 0.00 C ATOM 476 O ARG A 43 -16.923 3.325 -1.621 1.00 0.00 O ATOM 477 CB ARG A 43 -16.434 6.372 -1.203 1.00 0.00 C ATOM 478 CG ARG A 43 -17.923 6.293 -1.485 1.00 0.00 C ATOM 479 CD ARG A 43 -18.401 7.531 -2.221 1.00 0.00 C ATOM 480 NE ARG A 43 -18.055 8.756 -1.502 1.00 0.00 N ATOM 481 CZ ARG A 43 -17.656 9.883 -2.089 1.00 0.00 C ATOM 482 NH1 ARG A 43 -17.600 9.966 -3.414 1.00 0.00 N ATOM 483 NH2 ARG A 43 -17.322 10.934 -1.352 1.00 0.00 N ATOM 0 H ARG A 43 -14.055 6.195 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.495 4.926 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.235 7.264 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.903 6.493 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.138 5.405 -2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -18.470 6.188 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.958 7.556 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -19.482 7.480 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.124 8.747 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.863 9.164 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.294 10.832 -3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.371 10.880 -0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -17.017 11.797 -1.803 1.00 0.00 H new ATOM 497 N THR A 44 -14.708 3.574 -1.906 1.00 0.00 N ATOM 498 CA THR A 44 -14.575 2.404 -2.762 1.00 0.00 C ATOM 499 C THR A 44 -14.216 1.162 -1.946 1.00 0.00 C ATOM 500 O THR A 44 -13.713 1.276 -0.827 1.00 0.00 O ATOM 501 CB THR A 44 -13.510 2.633 -3.856 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.491 3.521 -3.384 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.137 3.204 -5.116 1.00 0.00 C ATOM 0 H THR A 44 -13.837 4.080 -1.746 1.00 0.00 H new ATOM 0 HA THR A 44 -15.541 2.242 -3.241 1.00 0.00 H new ATOM 0 HB THR A 44 -13.065 1.667 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.272 3.303 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.365 3.356 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.885 2.509 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.612 4.158 -4.886 1.00 0.00 H new ATOM 511 N PRO A 45 -14.482 -0.038 -2.489 1.00 0.00 N ATOM 512 CA PRO A 45 -14.153 -1.304 -1.824 1.00 0.00 C ATOM 513 C PRO A 45 -12.645 -1.500 -1.660 1.00 0.00 C ATOM 514 O PRO A 45 -11.845 -0.929 -2.407 1.00 0.00 O ATOM 515 CB PRO A 45 -14.736 -2.370 -2.757 1.00 0.00 C ATOM 516 CG PRO A 45 -14.852 -1.701 -4.080 1.00 0.00 C ATOM 517 CD PRO A 45 -15.142 -0.259 -3.788 1.00 0.00 C ATOM 0 HA PRO A 45 -14.557 -1.345 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.087 -3.244 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.707 -2.716 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.931 -1.806 -4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.649 -2.147 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.740 0.397 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.214 -0.067 -3.733 1.00 0.00 H new ATOM 525 N THR A 46 -12.270 -2.325 -0.694 1.00 0.00 N ATOM 526 CA THR A 46 -10.873 -2.531 -0.346 1.00 0.00 C ATOM 527 C THR A 46 -10.103 -3.202 -1.483 1.00 0.00 C ATOM 528 O THR A 46 -8.948 -2.864 -1.740 1.00 0.00 O ATOM 529 CB THR A 46 -10.759 -3.395 0.917 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.867 -3.128 1.786 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.465 -3.110 1.657 1.00 0.00 C ATOM 0 H THR A 46 -12.924 -2.869 -0.131 1.00 0.00 H new ATOM 0 HA THR A 46 -10.437 -1.549 -0.163 1.00 0.00 H new ATOM 0 HB THR A 46 -10.765 -4.442 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.793 -3.682 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.410 -3.736 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.618 -3.329 1.007 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.436 -2.060 1.949 1.00 0.00 H new ATOM 539 N SER A 47 -10.749 -4.142 -2.166 1.00 0.00 N ATOM 540 CA SER A 47 -10.126 -4.852 -3.277 1.00 0.00 C ATOM 541 C SER A 47 -9.688 -3.875 -4.365 1.00 0.00 C ATOM 542 O SER A 47 -8.621 -4.030 -4.965 1.00 0.00 O ATOM 543 CB SER A 47 -11.097 -5.885 -3.849 1.00 0.00 C ATOM 544 OG SER A 47 -11.582 -6.732 -2.820 1.00 0.00 O ATOM 0 H SER A 47 -11.707 -4.430 -1.968 1.00 0.00 H new ATOM 0 HA SER A 47 -9.240 -5.367 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.931 -5.379 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.596 -6.480 -4.613 1.00 0.00 H new ATOM 0 HG SER A 47 -12.204 -7.387 -3.201 1.00 0.00 H new ATOM 550 N SER A 48 -10.510 -2.859 -4.596 1.00 0.00 N ATOM 551 CA SER A 48 -10.196 -1.818 -5.549 1.00 0.00 C ATOM 552 C SER A 48 -8.992 -1.007 -5.088 1.00 0.00 C ATOM 553 O SER A 48 -8.093 -0.715 -5.877 1.00 0.00 O ATOM 554 CB SER A 48 -11.405 -0.912 -5.716 1.00 0.00 C ATOM 555 OG SER A 48 -12.488 -1.613 -6.303 1.00 0.00 O ATOM 0 H SER A 48 -11.408 -2.739 -4.127 1.00 0.00 H new ATOM 0 HA SER A 48 -9.947 -2.277 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.706 -0.518 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.140 -0.057 -6.339 1.00 0.00 H new ATOM 0 HG SER A 48 -13.221 -0.989 -6.487 1.00 0.00 H new ATOM 561 N LYS A 49 -8.982 -0.660 -3.804 1.00 0.00 N ATOM 562 CA LYS A 49 -7.874 0.088 -3.212 1.00 0.00 C ATOM 563 C LYS A 49 -6.561 -0.660 -3.404 1.00 0.00 C ATOM 564 O LYS A 49 -5.562 -0.086 -3.834 1.00 0.00 O ATOM 565 CB LYS A 49 -8.107 0.297 -1.714 1.00 0.00 C ATOM 566 CG LYS A 49 -9.429 0.957 -1.369 1.00 0.00 C ATOM 567 CD LYS A 49 -9.613 1.064 0.137 1.00 0.00 C ATOM 568 CE LYS A 49 -11.036 1.445 0.495 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.238 1.562 1.962 1.00 0.00 N ATOM 0 H LYS A 49 -9.732 -0.885 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.820 1.055 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.056 -0.670 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.296 0.906 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.470 1.951 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.249 0.381 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.361 0.112 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.924 1.808 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.286 2.393 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.721 0.698 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.225 1.824 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.026 0.650 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.604 2.294 2.342 1.00 0.00 H new ATOM 583 N VAL A 50 -6.584 -1.952 -3.093 1.00 0.00 N ATOM 584 CA VAL A 50 -5.385 -2.783 -3.180 1.00 0.00 C ATOM 585 C VAL A 50 -4.889 -2.887 -4.622 1.00 0.00 C ATOM 586 O VAL A 50 -3.697 -2.728 -4.894 1.00 0.00 O ATOM 587 CB VAL A 50 -5.636 -4.202 -2.623 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.387 -5.060 -2.742 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.095 -4.135 -1.174 1.00 0.00 C ATOM 0 H VAL A 50 -7.418 -2.447 -2.779 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.621 -2.298 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.425 -4.662 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.589 -6.054 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.100 -5.141 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.575 -4.601 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.267 -5.144 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.327 -3.650 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.021 -3.563 -1.112 1.00 0.00 H new ATOM 599 N HIS A 51 -5.811 -3.140 -5.546 1.00 0.00 N ATOM 600 CA HIS A 51 -5.460 -3.274 -6.958 1.00 0.00 C ATOM 601 C HIS A 51 -4.914 -1.964 -7.511 1.00 0.00 C ATOM 602 O HIS A 51 -3.983 -1.962 -8.317 1.00 0.00 O ATOM 603 CB HIS A 51 -6.670 -3.721 -7.785 1.00 0.00 C ATOM 604 CG HIS A 51 -7.000 -5.175 -7.642 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.718 -5.875 -8.585 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.721 -6.060 -6.656 1.00 0.00 C ATOM 607 CE1 HIS A 51 -7.869 -7.123 -8.185 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.272 -7.263 -7.019 1.00 0.00 N ATOM 0 H HIS A 51 -6.804 -3.256 -5.344 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.684 -4.036 -7.031 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.538 -3.131 -7.489 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.480 -3.503 -8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.167 -5.857 -5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.394 -7.899 -8.723 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.227 -8.125 -6.475 1.00 0.00 H new ATOM 617 N PHE A 52 -5.485 -0.857 -7.058 1.00 0.00 N ATOM 618 CA PHE A 52 -5.074 0.464 -7.510 1.00 0.00 C ATOM 619 C PHE A 52 -3.631 0.744 -7.098 1.00 0.00 C ATOM 620 O PHE A 52 -2.816 1.187 -7.909 1.00 0.00 O ATOM 621 CB PHE A 52 -6.005 1.526 -6.917 1.00 0.00 C ATOM 622 CG PHE A 52 -5.887 2.879 -7.561 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.884 3.757 -7.184 1.00 0.00 C ATOM 624 CD2 PHE A 52 -6.790 3.276 -8.533 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.785 5.004 -7.765 1.00 0.00 C ATOM 626 CE2 PHE A 52 -6.695 4.522 -9.119 1.00 0.00 C ATOM 627 CZ PHE A 52 -5.691 5.387 -8.734 1.00 0.00 C ATOM 0 H PHE A 52 -6.240 -0.849 -6.372 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.136 0.499 -8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.035 1.181 -7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.794 1.624 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.172 3.462 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.578 2.603 -8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.999 5.680 -7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.405 4.819 -9.877 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.614 6.363 -9.190 1.00 0.00 H new ATOM 637 N LEU A 53 -3.320 0.467 -5.836 1.00 0.00 N ATOM 638 CA LEU A 53 -1.979 0.688 -5.306 1.00 0.00 C ATOM 639 C LEU A 53 -0.963 -0.205 -6.006 1.00 0.00 C ATOM 640 O LEU A 53 0.167 0.212 -6.269 1.00 0.00 O ATOM 641 CB LEU A 53 -1.958 0.439 -3.798 1.00 0.00 C ATOM 642 CG LEU A 53 -2.812 1.405 -2.974 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.777 1.028 -1.503 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.338 2.837 -3.168 1.00 0.00 C ATOM 0 H LEU A 53 -3.981 0.087 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.704 1.726 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.300 -0.578 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.927 0.500 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.842 1.333 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.390 1.727 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.166 0.018 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.750 1.069 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.958 3.509 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.300 2.923 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.417 3.107 -4.221 1.00 0.00 H new ATOM 656 N LYS A 54 -1.374 -1.428 -6.321 1.00 0.00 N ATOM 657 CA LYS A 54 -0.535 -2.351 -7.058 1.00 0.00 C ATOM 658 C LYS A 54 -0.156 -1.760 -8.416 1.00 0.00 C ATOM 659 O LYS A 54 0.999 -1.822 -8.837 1.00 0.00 O ATOM 660 CB LYS A 54 -1.284 -3.666 -7.261 1.00 0.00 C ATOM 661 CG LYS A 54 -0.410 -4.795 -7.760 1.00 0.00 C ATOM 662 CD LYS A 54 0.666 -5.131 -6.748 1.00 0.00 C ATOM 663 CE LYS A 54 1.384 -6.410 -7.110 1.00 0.00 C ATOM 664 NZ LYS A 54 2.141 -6.289 -8.383 1.00 0.00 N ATOM 0 H LYS A 54 -2.291 -1.800 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 54 0.377 -2.531 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.741 -3.963 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.095 -3.506 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.022 -5.676 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.050 -4.513 -8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.384 -4.312 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.219 -5.231 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.069 -6.680 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.659 -7.219 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.644 -7.179 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.481 -6.091 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.828 -5.512 -8.306 1.00 0.00 H new ATOM 678 N SER A 55 -1.138 -1.159 -9.078 1.00 0.00 N ATOM 679 CA SER A 55 -0.941 -0.560 -10.386 1.00 0.00 C ATOM 680 C SER A 55 -0.088 0.706 -10.300 1.00 0.00 C ATOM 681 O SER A 55 0.447 1.178 -11.306 1.00 0.00 O ATOM 682 CB SER A 55 -2.302 -0.247 -11.000 1.00 0.00 C ATOM 683 OG SER A 55 -3.090 -1.422 -11.107 1.00 0.00 O ATOM 0 H SER A 55 -2.090 -1.075 -8.721 1.00 0.00 H new ATOM 0 HA SER A 55 -0.405 -1.268 -11.018 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.821 0.490 -10.387 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.167 0.197 -11.986 1.00 0.00 H new ATOM 0 HG SER A 55 -3.426 -1.672 -10.221 1.00 0.00 H new ATOM 689 N LYS A 56 0.046 1.249 -9.096 1.00 0.00 N ATOM 690 CA LYS A 56 0.866 2.426 -8.875 1.00 0.00 C ATOM 691 C LYS A 56 2.326 2.047 -8.653 1.00 0.00 C ATOM 692 O LYS A 56 3.192 2.916 -8.532 1.00 0.00 O ATOM 693 CB LYS A 56 0.337 3.221 -7.681 1.00 0.00 C ATOM 694 CG LYS A 56 -0.908 4.044 -7.991 1.00 0.00 C ATOM 695 CD LYS A 56 -0.658 5.041 -9.116 1.00 0.00 C ATOM 696 CE LYS A 56 -1.862 5.941 -9.350 1.00 0.00 C ATOM 697 NZ LYS A 56 -2.121 6.841 -8.196 1.00 0.00 N ATOM 0 H LYS A 56 -0.407 0.888 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 56 0.812 3.048 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.111 2.531 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.122 3.888 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.725 3.378 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.224 4.578 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.211 5.652 -8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.423 4.502 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.698 6.540 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.743 5.326 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.970 7.412 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.270 6.272 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.305 7.470 -8.056 1.00 0.00 H new ATOM 711 N GLY A 57 2.596 0.749 -8.606 1.00 0.00 N ATOM 712 CA GLY A 57 3.960 0.283 -8.460 1.00 0.00 C ATOM 713 C GLY A 57 4.280 -0.155 -7.048 1.00 0.00 C ATOM 714 O GLY A 57 5.447 -0.326 -6.693 1.00 0.00 O ATOM 0 H GLY A 57 1.894 0.011 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.130 -0.550 -9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.645 1.079 -8.753 1.00 0.00 H new ATOM 718 N LEU A 58 3.251 -0.326 -6.233 1.00 0.00 N ATOM 719 CA LEU A 58 3.441 -0.786 -4.866 1.00 0.00 C ATOM 720 C LEU A 58 3.459 -2.300 -4.781 1.00 0.00 C ATOM 721 O LEU A 58 2.821 -2.991 -5.576 1.00 0.00 O ATOM 722 CB LEU A 58 2.357 -0.244 -3.942 1.00 0.00 C ATOM 723 CG LEU A 58 2.670 1.098 -3.289 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.446 2.248 -4.258 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.844 1.269 -2.030 1.00 0.00 C ATOM 0 H LEU A 58 2.280 -0.154 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 58 4.410 -0.405 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.433 -0.146 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.171 -0.977 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 58 3.724 1.111 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.678 3.191 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.095 2.125 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.405 2.254 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.075 2.230 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.784 1.233 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.078 0.467 -1.330 1.00 0.00 H new ATOM 737 N SER A 59 4.200 -2.803 -3.809 1.00 0.00 N ATOM 738 CA SER A 59 4.247 -4.223 -3.532 1.00 0.00 C ATOM 739 C SER A 59 3.229 -4.565 -2.447 1.00 0.00 C ATOM 740 O SER A 59 2.699 -3.666 -1.789 1.00 0.00 O ATOM 741 CB SER A 59 5.655 -4.612 -3.087 1.00 0.00 C ATOM 742 OG SER A 59 6.620 -4.160 -4.024 1.00 0.00 O ATOM 0 H SER A 59 4.784 -2.238 -3.192 1.00 0.00 H new ATOM 0 HA SER A 59 3.999 -4.782 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.864 -4.183 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.722 -5.695 -2.982 1.00 0.00 H new ATOM 0 HG SER A 59 7.516 -4.417 -3.721 1.00 0.00 H new ATOM 748 N ALA A 60 2.968 -5.850 -2.257 1.00 0.00 N ATOM 749 CA ALA A 60 1.969 -6.294 -1.289 1.00 0.00 C ATOM 750 C ALA A 60 2.308 -5.832 0.128 1.00 0.00 C ATOM 751 O ALA A 60 1.420 -5.447 0.891 1.00 0.00 O ATOM 752 CB ALA A 60 1.825 -7.808 -1.338 1.00 0.00 C ATOM 0 H ALA A 60 3.433 -6.606 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 60 1.017 -5.838 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.077 -8.126 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.512 -8.112 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.782 -8.272 -1.100 1.00 0.00 H new ATOM 758 N GLU A 61 3.591 -5.852 0.466 1.00 0.00 N ATOM 759 CA GLU A 61 4.045 -5.454 1.797 1.00 0.00 C ATOM 760 C GLU A 61 3.786 -3.969 2.025 1.00 0.00 C ATOM 761 O GLU A 61 3.414 -3.549 3.121 1.00 0.00 O ATOM 762 CB GLU A 61 5.539 -5.748 1.980 1.00 0.00 C ATOM 763 CG GLU A 61 5.918 -7.220 1.853 1.00 0.00 C ATOM 764 CD GLU A 61 5.763 -7.751 0.444 1.00 0.00 C ATOM 765 OE1 GLU A 61 6.104 -7.017 -0.509 1.00 0.00 O ATOM 766 OE2 GLU A 61 5.304 -8.898 0.278 1.00 0.00 O ATOM 0 H GLU A 61 4.340 -6.140 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 61 3.483 -6.035 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.101 -5.177 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.848 -5.390 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.951 -7.352 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.297 -7.809 2.528 1.00 0.00 H new ATOM 773 N GLU A 62 3.972 -3.186 0.970 1.00 0.00 N ATOM 774 CA GLU A 62 3.773 -1.745 1.028 1.00 0.00 C ATOM 775 C GLU A 62 2.310 -1.441 1.309 1.00 0.00 C ATOM 776 O GLU A 62 1.978 -0.638 2.181 1.00 0.00 O ATOM 777 CB GLU A 62 4.178 -1.105 -0.301 1.00 0.00 C ATOM 778 CG GLU A 62 5.457 -1.672 -0.890 1.00 0.00 C ATOM 779 CD GLU A 62 6.678 -1.390 -0.048 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.865 -2.057 0.991 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.472 -0.520 -0.443 1.00 0.00 O ATOM 0 H GLU A 62 4.263 -3.530 0.055 1.00 0.00 H new ATOM 0 HA GLU A 62 4.392 -1.335 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.369 -1.238 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.301 -0.032 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.347 -2.750 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.607 -1.255 -1.886 1.00 0.00 H new ATOM 788 N ILE A 63 1.449 -2.114 0.561 1.00 0.00 N ATOM 789 CA ILE A 63 0.010 -1.957 0.691 1.00 0.00 C ATOM 790 C ILE A 63 -0.456 -2.391 2.082 1.00 0.00 C ATOM 791 O ILE A 63 -1.229 -1.689 2.739 1.00 0.00 O ATOM 792 CB ILE A 63 -0.720 -2.787 -0.388 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.238 -2.378 -1.784 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.225 -2.615 -0.273 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.709 -3.302 -2.886 1.00 0.00 C ATOM 0 H ILE A 63 1.730 -2.785 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.232 -0.903 0.553 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.486 -3.840 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.585 -1.367 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.852 -2.348 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.719 -3.208 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.555 -2.949 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.482 -1.564 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.329 -2.949 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.340 -4.310 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.799 -3.314 -2.910 1.00 0.00 H new ATOM 807 N CYS A 64 0.047 -3.537 2.528 1.00 0.00 N ATOM 808 CA CYS A 64 -0.299 -4.089 3.834 1.00 0.00 C ATOM 809 C CYS A 64 0.044 -3.110 4.955 1.00 0.00 C ATOM 810 O CYS A 64 -0.754 -2.893 5.873 1.00 0.00 O ATOM 811 CB CYS A 64 0.443 -5.412 4.048 1.00 0.00 C ATOM 812 SG CYS A 64 0.092 -6.225 5.624 1.00 0.00 S ATOM 0 H CYS A 64 0.704 -4.108 1.997 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.374 -4.266 3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.185 -6.093 3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.515 -5.227 3.980 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.143 -6.000 5.963 1.00 0.00 H new ATOM 818 N GLU A 65 1.229 -2.517 4.875 1.00 0.00 N ATOM 819 CA GLU A 65 1.677 -1.578 5.879 1.00 0.00 C ATOM 820 C GLU A 65 0.835 -0.309 5.842 1.00 0.00 C ATOM 821 O GLU A 65 0.336 0.141 6.874 1.00 0.00 O ATOM 822 CB GLU A 65 3.151 -1.250 5.659 1.00 0.00 C ATOM 823 CG GLU A 65 3.671 -0.184 6.596 1.00 0.00 C ATOM 824 CD GLU A 65 5.180 -0.029 6.537 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.661 1.093 6.277 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.897 -1.033 6.748 1.00 0.00 O ATOM 0 H GLU A 65 1.895 -2.675 4.119 1.00 0.00 H new ATOM 0 HA GLU A 65 1.559 -2.032 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.741 -2.157 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.293 -0.921 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.203 0.769 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.376 -0.429 7.616 1.00 0.00 H new ATOM 833 N ALA A 66 0.649 0.236 4.644 1.00 0.00 N ATOM 834 CA ALA A 66 -0.101 1.472 4.461 1.00 0.00 C ATOM 835 C ALA A 66 -1.506 1.359 5.029 1.00 0.00 C ATOM 836 O ALA A 66 -1.976 2.266 5.714 1.00 0.00 O ATOM 837 CB ALA A 66 -0.168 1.835 2.989 1.00 0.00 C ATOM 0 H ALA A 66 1.011 -0.164 3.779 1.00 0.00 H new ATOM 0 HA ALA A 66 0.422 2.259 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.731 2.760 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.842 1.971 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.663 1.034 2.439 1.00 0.00 H new ATOM 843 N PHE A 67 -2.164 0.237 4.761 1.00 0.00 N ATOM 844 CA PHE A 67 -3.509 0.008 5.269 1.00 0.00 C ATOM 845 C PHE A 67 -3.542 0.074 6.788 1.00 0.00 C ATOM 846 O PHE A 67 -4.444 0.667 7.376 1.00 0.00 O ATOM 847 CB PHE A 67 -4.046 -1.341 4.795 1.00 0.00 C ATOM 848 CG PHE A 67 -4.919 -1.238 3.579 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.424 -1.528 2.320 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.241 -0.845 3.702 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.234 -1.427 1.205 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.053 -0.743 2.593 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.551 -1.035 1.342 1.00 0.00 C ATOM 0 H PHE A 67 -1.789 -0.525 4.197 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.147 0.799 4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.207 -2.002 4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.613 -1.803 5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.395 -1.836 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.641 -0.616 4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.837 -1.655 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.082 -0.435 2.704 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.186 -0.957 0.472 1.00 0.00 H new ATOM 863 N THR A 68 -2.546 -0.510 7.422 1.00 0.00 N ATOM 864 CA THR A 68 -2.501 -0.549 8.872 1.00 0.00 C ATOM 865 C THR A 68 -2.337 0.857 9.437 1.00 0.00 C ATOM 866 O THR A 68 -2.888 1.192 10.488 1.00 0.00 O ATOM 867 CB THR A 68 -1.361 -1.455 9.358 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.419 -2.715 8.670 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.458 -1.688 10.858 1.00 0.00 C ATOM 0 H THR A 68 -1.758 -0.963 6.959 1.00 0.00 H new ATOM 0 HA THR A 68 -3.444 -0.962 9.231 1.00 0.00 H new ATOM 0 HB THR A 68 -0.413 -0.962 9.144 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.058 -2.610 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.640 -2.333 11.180 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.394 -0.733 11.379 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.410 -2.166 11.091 1.00 0.00 H new ATOM 877 N LYS A 69 -1.604 1.680 8.713 1.00 0.00 N ATOM 878 CA LYS A 69 -1.369 3.056 9.110 1.00 0.00 C ATOM 879 C LYS A 69 -2.623 3.916 8.960 1.00 0.00 C ATOM 880 O LYS A 69 -2.829 4.863 9.718 1.00 0.00 O ATOM 881 CB LYS A 69 -0.244 3.623 8.267 1.00 0.00 C ATOM 882 CG LYS A 69 0.972 2.722 8.243 1.00 0.00 C ATOM 883 CD LYS A 69 2.204 3.415 7.674 1.00 0.00 C ATOM 884 CE LYS A 69 2.727 4.511 8.590 1.00 0.00 C ATOM 885 NZ LYS A 69 2.054 5.823 8.370 1.00 0.00 N ATOM 0 H LYS A 69 -1.156 1.416 7.836 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.096 3.069 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.599 3.776 7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.040 4.601 8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.187 2.381 9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.751 1.836 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.989 2.677 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.960 3.843 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.588 4.207 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.799 4.628 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.768 6.548 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.392 5.744 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.531 6.093 9.228 1.00 0.00 H new ATOM 899 N VAL A 70 -3.463 3.585 7.987 1.00 0.00 N ATOM 900 CA VAL A 70 -4.682 4.358 7.745 1.00 0.00 C ATOM 901 C VAL A 70 -5.812 3.913 8.671 1.00 0.00 C ATOM 902 O VAL A 70 -6.941 4.398 8.568 1.00 0.00 O ATOM 903 CB VAL A 70 -5.152 4.268 6.273 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.014 4.618 5.332 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.724 2.897 5.942 1.00 0.00 C ATOM 0 H VAL A 70 -3.328 2.795 7.356 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.432 5.398 7.957 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.955 4.993 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.361 4.550 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.674 5.634 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.189 3.922 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.042 2.877 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.961 2.136 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.580 2.695 6.586 1.00 0.00 H new ATOM 915 N GLY A 71 -5.505 2.994 9.575 1.00 0.00 N ATOM 916 CA GLY A 71 -6.487 2.552 10.542 1.00 0.00 C ATOM 917 C GLY A 71 -7.228 1.314 10.093 1.00 0.00 C ATOM 918 O GLY A 71 -8.293 0.992 10.622 1.00 0.00 O ATOM 0 H GLY A 71 -4.592 2.546 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.991 2.350 11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.203 3.355 10.721 1.00 0.00 H new ATOM 922 N GLN A 72 -6.670 0.618 9.117 1.00 0.00 N ATOM 923 CA GLN A 72 -7.265 -0.608 8.618 1.00 0.00 C ATOM 924 C GLN A 72 -6.231 -1.729 8.644 1.00 0.00 C ATOM 925 O GLN A 72 -5.484 -1.917 7.687 1.00 0.00 O ATOM 926 CB GLN A 72 -7.767 -0.396 7.187 1.00 0.00 C ATOM 927 CG GLN A 72 -8.437 -1.617 6.582 1.00 0.00 C ATOM 928 CD GLN A 72 -9.829 -1.845 7.124 1.00 0.00 C ATOM 929 OE1 GLN A 72 -10.017 -2.533 8.129 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.811 -1.267 6.456 1.00 0.00 N ATOM 0 H GLN A 72 -5.801 0.884 8.653 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.107 -0.883 9.253 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.473 0.435 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.926 -0.106 6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.487 -1.500 5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.826 -2.498 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.605 -0.707 5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.776 -1.381 6.767 1.00 0.00 H new ATOM 939 N PRO A 73 -6.165 -2.491 9.739 1.00 0.00 N ATOM 940 CA PRO A 73 -5.172 -3.547 9.879 1.00 0.00 C ATOM 941 C PRO A 73 -5.446 -4.725 8.954 1.00 0.00 C ATOM 942 O PRO A 73 -6.290 -5.583 9.233 1.00 0.00 O ATOM 943 CB PRO A 73 -5.275 -3.964 11.341 1.00 0.00 C ATOM 944 CG PRO A 73 -6.647 -3.560 11.769 1.00 0.00 C ATOM 945 CD PRO A 73 -7.033 -2.375 10.921 1.00 0.00 C ATOM 0 HA PRO A 73 -4.175 -3.201 9.605 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.127 -5.038 11.455 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.513 -3.471 11.945 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.352 -4.380 11.633 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.662 -3.300 12.827 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.088 -2.406 10.647 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.868 -1.435 11.448 1.00 0.00 H new ATOM 953 N LYS A 74 -4.749 -4.729 7.835 1.00 0.00 N ATOM 954 CA LYS A 74 -4.850 -5.802 6.866 1.00 0.00 C ATOM 955 C LYS A 74 -3.603 -6.659 6.918 1.00 0.00 C ATOM 956 O LYS A 74 -2.493 -6.144 7.070 1.00 0.00 O ATOM 957 CB LYS A 74 -5.038 -5.251 5.448 1.00 0.00 C ATOM 958 CG LYS A 74 -6.399 -4.618 5.202 1.00 0.00 C ATOM 959 CD LYS A 74 -7.515 -5.623 5.420 1.00 0.00 C ATOM 960 CE LYS A 74 -8.860 -5.087 4.969 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.950 -6.070 5.201 1.00 0.00 N ATOM 0 H LYS A 74 -4.098 -3.989 7.572 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.722 -6.406 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.264 -4.509 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.891 -6.061 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.535 -3.768 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.446 -4.233 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.289 -6.539 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.565 -5.885 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.082 -4.164 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.815 -4.837 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.558 -6.119 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.539 -7.007 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.517 -5.773 6.020 1.00 0.00 H new ATOM 975 N THR A 75 -3.784 -7.957 6.804 1.00 0.00 N ATOM 976 CA THR A 75 -2.667 -8.876 6.799 1.00 0.00 C ATOM 977 C THR A 75 -2.112 -9.023 5.390 1.00 0.00 C ATOM 978 O THR A 75 -2.817 -8.774 4.408 1.00 0.00 O ATOM 979 CB THR A 75 -3.075 -10.260 7.336 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.245 -10.728 6.652 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.343 -10.202 8.831 1.00 0.00 C ATOM 0 H THR A 75 -4.698 -8.401 6.713 1.00 0.00 H new ATOM 0 HA THR A 75 -1.899 -8.465 7.454 1.00 0.00 H new ATOM 0 HB THR A 75 -2.252 -10.951 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.984 -10.103 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.630 -11.191 9.188 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.442 -9.876 9.350 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.150 -9.497 9.029 1.00 0.00 H new ATOM 989 N LEU A 76 -0.853 -9.419 5.294 1.00 0.00 N ATOM 990 CA LEU A 76 -0.223 -9.644 4.005 1.00 0.00 C ATOM 991 C LEU A 76 -0.945 -10.767 3.270 1.00 0.00 C ATOM 992 O LEU A 76 -1.044 -10.762 2.043 1.00 0.00 O ATOM 993 CB LEU A 76 1.258 -9.981 4.192 1.00 0.00 C ATOM 994 CG LEU A 76 2.072 -10.087 2.902 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.022 -8.781 2.130 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.510 -10.462 3.215 1.00 0.00 C ATOM 0 H LEU A 76 -0.247 -9.591 6.096 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.291 -8.735 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.710 -9.218 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.334 -10.927 4.729 1.00 0.00 H new ATOM 0 HG LEU A 76 1.635 -10.869 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.607 -8.876 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.988 -8.548 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.435 -7.980 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.077 -10.534 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.954 -9.699 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.532 -11.423 3.729 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.460 -11.717 4.045 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.254 -12.821 3.513 1.00 0.00 C ATOM 1010 C ASN A 77 -3.453 -12.289 2.730 1.00 0.00 C ATOM 1011 O ASN A 77 -3.737 -12.749 1.622 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.742 -13.705 4.664 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.455 -14.963 4.195 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -3.133 -15.524 3.148 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.432 -15.409 4.968 1.00 0.00 N ATOM 0 H ASN A 77 -1.339 -11.744 5.057 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.630 -13.409 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.890 -13.988 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.417 -13.127 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.949 -16.247 4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.668 -14.914 5.828 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.139 -11.306 3.309 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.272 -10.666 2.647 1.00 0.00 C ATOM 1024 C GLU A 78 -4.831 -9.991 1.361 1.00 0.00 C ATOM 1025 O GLU A 78 -5.431 -10.195 0.310 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.918 -9.627 3.566 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.747 -10.229 4.681 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.124 -9.208 5.732 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -6.291 -8.941 6.624 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.249 -8.671 5.680 1.00 0.00 O ATOM 0 H GLU A 78 -3.929 -10.936 4.236 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.001 -11.442 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.136 -9.005 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.551 -8.971 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.653 -10.667 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.188 -11.040 5.149 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.761 -9.212 1.450 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.274 -8.448 0.309 1.00 0.00 C ATOM 1039 C ILE A 79 -2.896 -9.375 -0.844 1.00 0.00 C ATOM 1040 O ILE A 79 -3.287 -9.144 -1.988 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.061 -7.570 0.690 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.400 -6.672 1.886 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.616 -6.725 -0.496 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.585 -5.753 1.654 1.00 0.00 C ATOM 0 H ILE A 79 -3.213 -9.092 2.302 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.085 -7.794 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.240 -8.228 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.606 -7.301 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.527 -6.067 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.761 -6.114 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.333 -7.378 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.435 -6.078 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.759 -5.152 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.376 -5.097 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.472 -6.350 1.440 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.164 -10.440 -0.530 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.760 -11.414 -1.539 1.00 0.00 C ATOM 1058 C LYS A 80 -2.973 -12.098 -2.151 1.00 0.00 C ATOM 1059 O LYS A 80 -3.002 -12.374 -3.348 1.00 0.00 O ATOM 1060 CB LYS A 80 -0.829 -12.468 -0.941 1.00 0.00 C ATOM 1061 CG LYS A 80 0.496 -11.909 -0.463 1.00 0.00 C ATOM 1062 CD LYS A 80 1.518 -13.015 -0.259 1.00 0.00 C ATOM 1063 CE LYS A 80 2.874 -12.459 0.142 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.922 -13.514 0.151 1.00 0.00 N ATOM 0 H LYS A 80 -1.839 -10.650 0.414 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.226 -10.872 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.332 -12.952 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.640 -13.239 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.874 -11.191 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.350 -11.369 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.164 -13.701 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.618 -13.592 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.161 -11.667 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.804 -12.008 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.833 -13.096 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.660 -14.257 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.007 -13.927 -0.800 1.00 0.00 H new ATOM 1078 N ARG A 81 -3.966 -12.372 -1.323 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.193 -13.014 -1.784 1.00 0.00 C ATOM 1080 C ARG A 81 -5.979 -12.081 -2.695 1.00 0.00 C ATOM 1081 O ARG A 81 -6.490 -12.492 -3.734 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.066 -13.422 -0.600 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.377 -14.070 -1.014 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.137 -15.365 -1.776 1.00 0.00 C ATOM 1085 NE ARG A 81 -6.399 -16.336 -0.974 1.00 0.00 N ATOM 1086 CZ ARG A 81 -5.244 -16.896 -1.338 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -4.670 -16.577 -2.498 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -4.663 -17.777 -0.535 1.00 0.00 N ATOM 0 H ARG A 81 -3.950 -12.161 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.912 -13.906 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.510 -14.115 0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.280 -12.541 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.980 -14.273 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.946 -13.379 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.094 -15.793 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.583 -15.152 -2.690 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.794 -16.605 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.114 -15.899 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.787 -17.011 -2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.099 -18.022 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.780 -18.209 -0.806 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.080 -10.829 -2.287 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.807 -9.826 -3.051 1.00 0.00 C ATOM 1104 C ILE A 82 -6.132 -9.575 -4.401 1.00 0.00 C ATOM 1105 O ILE A 82 -6.802 -9.361 -5.412 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.914 -8.507 -2.257 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.708 -8.739 -0.967 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.566 -7.418 -3.097 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.621 -7.599 0.024 1.00 0.00 C ATOM 0 H ILE A 82 -5.665 -10.479 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.812 -10.206 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.909 -8.174 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.755 -8.906 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.347 -9.650 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.630 -6.499 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.968 -7.241 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.568 -7.734 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.209 -7.841 0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.581 -7.445 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.010 -6.689 -0.433 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.808 -9.615 -4.412 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.046 -9.415 -5.639 1.00 0.00 C ATOM 1123 C LEU A 83 -4.031 -10.675 -6.493 1.00 0.00 C ATOM 1124 O LEU A 83 -3.872 -10.607 -7.712 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.610 -8.999 -5.313 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.459 -7.615 -4.683 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.014 -7.370 -4.282 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.934 -6.539 -5.649 1.00 0.00 C ATOM 0 H LEU A 83 -4.237 -9.784 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.534 -8.621 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.180 -9.737 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.023 -9.028 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.077 -7.572 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.923 -6.380 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.704 -8.124 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.377 -7.429 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.820 -5.559 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.339 -6.581 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.983 -6.706 -5.892 1.00 0.00 H new ATOM 1140 N SER A 84 -4.202 -11.824 -5.858 1.00 0.00 N ATOM 1141 CA SER A 84 -4.139 -13.090 -6.564 1.00 0.00 C ATOM 1142 C SER A 84 -4.997 -14.141 -5.860 1.00 0.00 C ATOM 1143 O SER A 84 -4.495 -14.812 -4.930 1.00 0.00 O ATOM 1144 CB SER A 84 -2.680 -13.550 -6.668 1.00 0.00 C ATOM 1145 OG SER A 84 -2.518 -14.548 -7.662 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.179 -14.291 -6.240 1.00 0.00 O ATOM 0 H SER A 84 -4.385 -11.904 -4.858 1.00 0.00 H new ATOM 0 HA SER A 84 -4.536 -12.958 -7.571 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.044 -12.696 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.351 -13.938 -5.704 1.00 0.00 H new ATOM 0 HG SER A 84 -1.577 -14.818 -7.704 1.00 0.00 H new