USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.14) USER MOD Set 1.2: A 63 HIS : no HD1:sc= 0 X(o=-0.031,f=-0.031) USER MOD Single : A 11 SER OG : rot -26:sc= 0.453 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 138:sc= 0.325 USER MOD Single : A 21 SER OG : rot -11:sc= 0.434 USER MOD Single : A 24 SER OG : rot -129:sc= 0.337 USER MOD Single : A 26 ASN : amide:sc= -0.822 K(o=-0.82,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.314 (180deg=0.195) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HE2:sc= -0.186 F(o=-0.98,f=-0.19) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -40:sc= 1.04 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 0.176 (180deg=0.0223) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -70:sc= 0.0126 USER MOD Single : A 93 GLN : amide:sc= -0.0615 X(o=-0.061,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.372 X(o=-0.37,f=0.02) USER MOD Single : A 95 SER OG : rot -42:sc= 1.27 USER MOD Single : A 96 SER OG : rot -117:sc= 0.71 USER MOD Single : A 101 LYS NZ :NH3+ -105:sc= -0.541 (180deg=-3.04!) USER MOD Single : A 104 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -12.864 6.983 -7.494 1.00 0.00 N ATOM 183 CA SER A 11 -12.066 6.632 -6.321 1.00 0.00 C ATOM 184 C SER A 11 -12.931 6.541 -5.059 1.00 0.00 C ATOM 185 O SER A 11 -12.489 6.020 -4.036 1.00 0.00 O ATOM 186 CB SER A 11 -10.973 7.676 -6.092 1.00 0.00 C ATOM 187 OG SER A 11 -11.493 8.969 -6.372 1.00 0.00 O ATOM 0 HA SER A 11 -11.619 5.657 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.619 7.629 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.116 7.469 -6.733 1.00 0.00 H new ATOM 0 HG SER A 11 -12.234 8.893 -7.008 1.00 0.00 H new ATOM 193 N ASP A 12 -14.165 7.052 -5.130 1.00 0.00 N ATOM 194 CA ASP A 12 -15.064 7.017 -3.975 1.00 0.00 C ATOM 195 C ASP A 12 -15.242 5.589 -3.459 1.00 0.00 C ATOM 196 O ASP A 12 -15.238 5.346 -2.253 1.00 0.00 O ATOM 197 CB ASP A 12 -16.437 7.582 -4.349 1.00 0.00 C ATOM 198 CG ASP A 12 -16.984 6.832 -5.560 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.319 6.833 -6.583 1.00 0.00 O ATOM 200 OD2 ASP A 12 -18.060 6.268 -5.445 1.00 0.00 O ATOM 0 H ASP A 12 -14.559 7.489 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.614 7.627 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.123 7.485 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.356 8.646 -4.573 1.00 0.00 H new ATOM 205 N ALA A 13 -15.393 4.648 -4.387 1.00 0.00 N ATOM 206 CA ALA A 13 -15.568 3.247 -4.014 1.00 0.00 C ATOM 207 C ALA A 13 -14.284 2.696 -3.402 1.00 0.00 C ATOM 208 O ALA A 13 -14.315 1.931 -2.438 1.00 0.00 O ATOM 209 CB ALA A 13 -15.937 2.408 -5.239 1.00 0.00 C ATOM 0 H ALA A 13 -15.398 4.826 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.373 3.191 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.063 1.367 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.868 2.779 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.142 2.480 -5.982 1.00 0.00 H new ATOM 215 N CYS A 14 -13.152 3.098 -3.974 1.00 0.00 N ATOM 216 CA CYS A 14 -11.854 2.644 -3.479 1.00 0.00 C ATOM 217 C CYS A 14 -11.460 3.387 -2.200 1.00 0.00 C ATOM 218 O CYS A 14 -10.595 2.934 -1.450 1.00 0.00 O ATOM 219 CB CYS A 14 -10.771 2.868 -4.537 1.00 0.00 C ATOM 220 SG CYS A 14 -9.253 2.020 -4.034 1.00 0.00 S ATOM 0 H CYS A 14 -13.106 3.731 -4.773 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.941 1.580 -3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.108 2.492 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.581 3.934 -4.659 1.00 0.00 H new ATOM 225 N LYS A 15 -12.095 4.535 -1.954 1.00 0.00 N ATOM 226 CA LYS A 15 -11.791 5.321 -0.762 1.00 0.00 C ATOM 227 C LYS A 15 -12.420 4.702 0.488 1.00 0.00 C ATOM 228 O LYS A 15 -12.025 5.016 1.611 1.00 0.00 O ATOM 229 CB LYS A 15 -12.310 6.751 -0.922 1.00 0.00 C ATOM 230 CG LYS A 15 -11.261 7.597 -1.648 1.00 0.00 C ATOM 231 CD LYS A 15 -11.876 8.937 -2.053 1.00 0.00 C ATOM 232 CE LYS A 15 -10.808 10.029 -1.990 1.00 0.00 C ATOM 233 NZ LYS A 15 -11.420 11.386 -1.907 1.00 0.00 N ATOM 0 H LYS A 15 -12.814 4.935 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.707 5.330 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.244 6.749 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.527 7.182 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.400 7.761 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.900 7.069 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.285 8.871 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.704 9.185 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.168 9.864 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.172 9.969 -2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.669 12.104 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.012 11.552 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.007 11.450 -1.051 1.00 0.00 H new ATOM 247 N ALA A 16 -13.403 3.817 0.292 1.00 0.00 N ATOM 248 CA ALA A 16 -14.068 3.167 1.422 1.00 0.00 C ATOM 249 C ALA A 16 -13.052 2.418 2.284 1.00 0.00 C ATOM 250 O ALA A 16 -12.743 2.829 3.402 1.00 0.00 O ATOM 251 CB ALA A 16 -15.124 2.179 0.924 1.00 0.00 C ATOM 0 H ALA A 16 -13.751 3.538 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.548 3.942 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.609 1.704 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.869 2.711 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.647 1.417 0.307 1.00 0.00 H new ATOM 257 N GLU A 17 -12.529 1.320 1.746 1.00 0.00 N ATOM 258 CA GLU A 17 -11.541 0.526 2.471 1.00 0.00 C ATOM 259 C GLU A 17 -10.153 1.135 2.303 1.00 0.00 C ATOM 260 O GLU A 17 -9.470 1.438 3.281 1.00 0.00 O ATOM 261 CB GLU A 17 -11.521 -0.915 1.956 1.00 0.00 C ATOM 262 CG GLU A 17 -10.604 -1.765 2.842 1.00 0.00 C ATOM 263 CD GLU A 17 -11.275 -1.999 4.190 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.450 -2.325 4.197 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.603 -1.848 5.198 1.00 0.00 O ATOM 0 H GLU A 17 -12.769 0.962 0.821 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.817 0.524 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.530 -1.327 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.170 -0.938 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.394 -2.719 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.647 -1.262 2.982 1.00 0.00 H new ATOM 272 N SER A 18 -9.747 1.305 1.049 1.00 0.00 N ATOM 273 CA SER A 18 -8.436 1.877 0.754 1.00 0.00 C ATOM 274 C SER A 18 -8.447 3.386 0.992 1.00 0.00 C ATOM 275 O SER A 18 -8.293 4.184 0.065 1.00 0.00 O ATOM 276 CB SER A 18 -8.045 1.592 -0.700 1.00 0.00 C ATOM 277 OG SER A 18 -8.678 0.395 -1.131 1.00 0.00 O ATOM 0 H SER A 18 -10.299 1.058 0.228 1.00 0.00 H new ATOM 0 HA SER A 18 -7.705 1.416 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.342 2.424 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.963 1.496 -0.785 1.00 0.00 H new ATOM 0 HG SER A 18 -9.025 0.517 -2.039 1.00 0.00 H new ATOM 283 N GLY A 19 -8.630 3.769 2.253 1.00 0.00 N ATOM 284 CA GLY A 19 -8.660 5.180 2.615 1.00 0.00 C ATOM 285 C GLY A 19 -7.290 5.637 3.103 1.00 0.00 C ATOM 286 O GLY A 19 -7.173 6.322 4.119 1.00 0.00 O ATOM 0 H GLY A 19 -8.759 3.126 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.963 5.776 1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.404 5.345 3.394 1.00 0.00 H new ATOM 290 N VAL A 20 -6.251 5.248 2.365 1.00 0.00 N ATOM 291 CA VAL A 20 -4.883 5.616 2.724 1.00 0.00 C ATOM 292 C VAL A 20 -4.739 7.139 2.836 1.00 0.00 C ATOM 293 O VAL A 20 -3.930 7.643 3.615 1.00 0.00 O ATOM 294 CB VAL A 20 -3.896 5.062 1.682 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.178 5.678 0.305 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.458 5.385 2.107 1.00 0.00 C ATOM 0 H VAL A 20 -6.330 4.682 1.520 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.653 5.180 3.696 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.021 3.981 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.473 5.278 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.195 5.433 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.067 6.761 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.762 4.991 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.335 6.465 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.254 4.929 3.076 1.00 0.00 H new ATOM 306 N SER A 21 -5.543 7.861 2.054 1.00 0.00 N ATOM 307 CA SER A 21 -5.516 9.329 2.069 1.00 0.00 C ATOM 308 C SER A 21 -4.098 9.862 1.867 1.00 0.00 C ATOM 309 O SER A 21 -3.738 10.922 2.378 1.00 0.00 O ATOM 310 CB SER A 21 -6.064 9.860 3.396 1.00 0.00 C ATOM 311 OG SER A 21 -5.086 9.692 4.413 1.00 0.00 O ATOM 0 H SER A 21 -6.219 7.458 1.405 1.00 0.00 H new ATOM 0 HA SER A 21 -6.142 9.674 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.325 10.914 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.977 9.329 3.663 1.00 0.00 H new ATOM 0 HG SER A 21 -4.362 9.122 4.080 1.00 0.00 H new ATOM 317 N GLU A 22 -3.298 9.111 1.114 1.00 0.00 N ATOM 318 CA GLU A 22 -1.918 9.512 0.847 1.00 0.00 C ATOM 319 C GLU A 22 -1.131 9.655 2.150 1.00 0.00 C ATOM 320 O GLU A 22 -0.175 10.427 2.231 1.00 0.00 O ATOM 321 CB GLU A 22 -1.883 10.846 0.098 1.00 0.00 C ATOM 322 CG GLU A 22 -0.531 11.004 -0.601 1.00 0.00 C ATOM 323 CD GLU A 22 -0.212 12.486 -0.762 1.00 0.00 C ATOM 324 OE1 GLU A 22 -1.127 13.241 -1.047 1.00 0.00 O ATOM 325 OE2 GLU A 22 0.943 12.844 -0.599 1.00 0.00 O ATOM 0 H GLU A 22 -3.577 8.230 0.682 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.461 8.735 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.690 10.885 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.043 11.670 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.250 10.514 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.555 10.518 -1.576 1.00 0.00 H new ATOM 332 N GLU A 23 -1.540 8.900 3.168 1.00 0.00 N ATOM 333 CA GLU A 23 -0.861 8.952 4.460 1.00 0.00 C ATOM 334 C GLU A 23 0.389 8.078 4.433 1.00 0.00 C ATOM 335 O GLU A 23 1.506 8.563 4.614 1.00 0.00 O ATOM 336 CB GLU A 23 -1.789 8.461 5.574 1.00 0.00 C ATOM 337 CG GLU A 23 -1.318 9.024 6.917 1.00 0.00 C ATOM 338 CD GLU A 23 -2.444 8.914 7.938 1.00 0.00 C ATOM 339 OE1 GLU A 23 -3.008 7.839 8.057 1.00 0.00 O ATOM 340 OE2 GLU A 23 -2.729 9.908 8.587 1.00 0.00 O ATOM 0 H GLU A 23 -2.328 8.253 3.125 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.581 9.987 4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.813 8.777 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.792 7.371 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.442 8.477 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.018 10.066 6.802 1.00 0.00 H new ATOM 347 N SER A 24 0.186 6.785 4.202 1.00 0.00 N ATOM 348 CA SER A 24 1.304 5.848 4.147 1.00 0.00 C ATOM 349 C SER A 24 2.136 6.090 2.892 1.00 0.00 C ATOM 350 O SER A 24 3.354 5.914 2.892 1.00 0.00 O ATOM 351 CB SER A 24 0.794 4.407 4.138 1.00 0.00 C ATOM 352 OG SER A 24 -0.419 4.332 4.875 1.00 0.00 O ATOM 0 H SER A 24 -0.731 6.365 4.051 1.00 0.00 H new ATOM 0 HA SER A 24 1.923 6.007 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.631 4.073 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.540 3.743 4.575 1.00 0.00 H new ATOM 0 HG SER A 24 -0.356 3.612 5.536 1.00 0.00 H new ATOM 358 N LEU A 25 1.460 6.499 1.820 1.00 0.00 N ATOM 359 CA LEU A 25 2.141 6.767 0.555 1.00 0.00 C ATOM 360 C LEU A 25 3.174 7.878 0.727 1.00 0.00 C ATOM 361 O LEU A 25 4.213 7.887 0.069 1.00 0.00 O ATOM 362 CB LEU A 25 1.134 7.185 -0.516 1.00 0.00 C ATOM 363 CG LEU A 25 0.377 6.037 -1.190 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.998 6.528 -1.649 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.173 5.547 -2.403 1.00 0.00 C ATOM 0 H LEU A 25 0.452 6.651 1.801 1.00 0.00 H new ATOM 0 HA LEU A 25 2.643 5.851 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.408 7.860 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.660 7.751 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 25 0.251 5.220 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.535 5.710 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.565 6.879 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.874 7.346 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.636 4.730 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.298 6.366 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.152 5.196 -2.078 1.00 0.00 H new ATOM 377 N ASN A 26 2.873 8.815 1.624 1.00 0.00 N ATOM 378 CA ASN A 26 3.780 9.931 1.879 1.00 0.00 C ATOM 379 C ASN A 26 5.096 9.426 2.466 1.00 0.00 C ATOM 380 O ASN A 26 6.178 9.824 2.034 1.00 0.00 O ATOM 381 CB ASN A 26 3.148 10.922 2.858 1.00 0.00 C ATOM 382 CG ASN A 26 3.965 12.209 2.880 1.00 0.00 C ATOM 383 OD1 ASN A 26 5.166 12.193 2.612 1.00 0.00 O ATOM 384 ND2 ASN A 26 3.379 13.334 3.185 1.00 0.00 N ATOM 0 H ASN A 26 2.018 8.824 2.180 1.00 0.00 H new ATOM 0 HA ASN A 26 3.973 10.430 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.121 11.136 2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.108 10.487 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.916 14.201 3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.384 13.347 3.407 1.00 0.00 H new ATOM 391 N LYS A 27 4.988 8.545 3.457 1.00 0.00 N ATOM 392 CA LYS A 27 6.175 7.986 4.102 1.00 0.00 C ATOM 393 C LYS A 27 7.061 7.262 3.088 1.00 0.00 C ATOM 394 O LYS A 27 8.268 7.122 3.290 1.00 0.00 O ATOM 395 CB LYS A 27 5.771 7.002 5.202 1.00 0.00 C ATOM 396 CG LYS A 27 5.621 7.751 6.528 1.00 0.00 C ATOM 397 CD LYS A 27 4.834 6.888 7.516 1.00 0.00 C ATOM 398 CE LYS A 27 3.348 7.239 7.432 1.00 0.00 C ATOM 399 NZ LYS A 27 2.592 6.682 8.590 1.00 0.00 N ATOM 0 H LYS A 27 4.101 8.205 3.829 1.00 0.00 H new ATOM 0 HA LYS A 27 6.735 8.814 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.833 6.513 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.523 6.219 5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.603 7.987 6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.107 8.698 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.982 5.832 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.200 7.052 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.229 8.322 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.932 6.849 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.587 6.937 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.686 5.646 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.974 7.073 9.475 1.00 0.00 H new ATOM 413 N VAL A 28 6.454 6.804 1.993 1.00 0.00 N ATOM 414 CA VAL A 28 7.204 6.098 0.957 1.00 0.00 C ATOM 415 C VAL A 28 8.287 7.002 0.368 1.00 0.00 C ATOM 416 O VAL A 28 9.324 6.528 -0.097 1.00 0.00 O ATOM 417 CB VAL A 28 6.267 5.638 -0.165 1.00 0.00 C ATOM 418 CG1 VAL A 28 7.031 4.745 -1.145 1.00 0.00 C ATOM 419 CG2 VAL A 28 5.103 4.845 0.437 1.00 0.00 C ATOM 0 H VAL A 28 5.457 6.908 1.802 1.00 0.00 H new ATOM 0 HA VAL A 28 7.672 5.227 1.416 1.00 0.00 H new ATOM 0 HB VAL A 28 5.885 6.511 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.360 4.421 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.861 5.305 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.417 3.873 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.435 4.517 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.491 3.975 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.553 5.478 1.133 1.00 0.00 H new ATOM 429 N ARG A 29 8.042 8.314 0.396 1.00 0.00 N ATOM 430 CA ARG A 29 9.009 9.278 -0.135 1.00 0.00 C ATOM 431 C ARG A 29 10.381 9.083 0.509 1.00 0.00 C ATOM 432 O ARG A 29 11.415 9.326 -0.112 1.00 0.00 O ATOM 433 CB ARG A 29 8.537 10.710 0.126 1.00 0.00 C ATOM 434 CG ARG A 29 7.173 10.926 -0.533 1.00 0.00 C ATOM 435 CD ARG A 29 7.368 11.507 -1.935 1.00 0.00 C ATOM 436 NE ARG A 29 7.372 10.446 -2.937 1.00 0.00 N ATOM 437 CZ ARG A 29 6.286 10.176 -3.656 1.00 0.00 C ATOM 438 NH1 ARG A 29 5.358 9.401 -3.168 1.00 0.00 N ATOM 439 NH2 ARG A 29 6.150 10.688 -4.848 1.00 0.00 N ATOM 0 H ARG A 29 7.192 8.730 0.776 1.00 0.00 H new ATOM 0 HA ARG A 29 9.089 9.109 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.467 10.891 1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.261 11.421 -0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.632 9.981 -0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.569 11.602 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.571 12.218 -2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.307 12.058 -1.978 1.00 0.00 H new ATOM 0 HE ARG A 29 8.222 9.902 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.465 9.002 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.525 9.194 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.876 11.295 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.317 10.481 -5.400 1.00 0.00 H new ATOM 453 N ASN A 30 10.374 8.629 1.760 1.00 0.00 N ATOM 454 CA ASN A 30 11.621 8.390 2.480 1.00 0.00 C ATOM 455 C ASN A 30 11.985 6.912 2.409 1.00 0.00 C ATOM 456 O ASN A 30 11.131 6.059 2.167 1.00 0.00 O ATOM 457 CB ASN A 30 11.483 8.803 3.946 1.00 0.00 C ATOM 458 CG ASN A 30 11.370 10.321 4.038 1.00 0.00 C ATOM 459 OD1 ASN A 30 10.276 10.876 3.926 1.00 0.00 O ATOM 460 ND2 ASN A 30 12.445 11.033 4.238 1.00 0.00 N ATOM 0 H ASN A 30 9.528 8.421 2.291 1.00 0.00 H new ATOM 0 HA ASN A 30 12.406 8.986 2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.602 8.335 4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.346 8.457 4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.379 12.049 4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.351 10.574 4.331 1.00 0.00 H new ATOM 467 N ARG A 31 13.263 6.614 2.620 1.00 0.00 N ATOM 468 CA ARG A 31 13.727 5.231 2.573 1.00 0.00 C ATOM 469 C ARG A 31 13.311 4.487 3.841 1.00 0.00 C ATOM 470 O ARG A 31 14.143 4.120 4.673 1.00 0.00 O ATOM 471 CB ARG A 31 15.250 5.182 2.425 1.00 0.00 C ATOM 472 CG ARG A 31 15.618 5.128 0.939 1.00 0.00 C ATOM 473 CD ARG A 31 15.468 6.519 0.318 1.00 0.00 C ATOM 474 NE ARG A 31 16.762 7.192 0.241 1.00 0.00 N ATOM 475 CZ ARG A 31 17.209 7.934 1.251 1.00 0.00 C ATOM 476 NH1 ARG A 31 17.878 7.378 2.224 1.00 0.00 N ATOM 477 NH2 ARG A 31 16.977 9.219 1.269 1.00 0.00 N ATOM 0 H ARG A 31 13.988 7.302 2.823 1.00 0.00 H new ATOM 0 HA ARG A 31 13.270 4.747 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.700 6.059 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.648 4.308 2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.643 4.775 0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.975 4.417 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.037 6.433 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.777 7.116 0.913 1.00 0.00 H new ATOM 0 HE ARG A 31 17.331 7.092 -0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.058 6.374 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.220 7.947 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.453 9.653 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.319 9.788 2.043 1.00 0.00 H new ATOM 491 N GLU A 32 12.006 4.268 3.977 1.00 0.00 N ATOM 492 CA GLU A 32 11.473 3.566 5.141 1.00 0.00 C ATOM 493 C GLU A 32 10.119 2.946 4.809 1.00 0.00 C ATOM 494 O GLU A 32 9.093 3.626 4.803 1.00 0.00 O ATOM 495 CB GLU A 32 11.304 4.528 6.319 1.00 0.00 C ATOM 496 CG GLU A 32 12.666 4.792 6.965 1.00 0.00 C ATOM 497 CD GLU A 32 13.263 6.073 6.393 1.00 0.00 C ATOM 498 OE1 GLU A 32 12.515 7.015 6.195 1.00 0.00 O ATOM 499 OE2 GLU A 32 14.462 6.093 6.162 1.00 0.00 O ATOM 0 H GLU A 32 11.302 4.564 3.301 1.00 0.00 H new ATOM 0 HA GLU A 32 12.179 2.782 5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.865 5.465 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.618 4.104 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.556 4.881 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.336 3.952 6.781 1.00 0.00 H new ATOM 506 N GLU A 33 10.130 1.645 4.530 1.00 0.00 N ATOM 507 CA GLU A 33 8.897 0.938 4.192 1.00 0.00 C ATOM 508 C GLU A 33 8.042 0.723 5.438 1.00 0.00 C ATOM 509 O GLU A 33 8.539 0.331 6.493 1.00 0.00 O ATOM 510 CB GLU A 33 9.217 -0.423 3.569 1.00 0.00 C ATOM 511 CG GLU A 33 9.390 -0.264 2.058 1.00 0.00 C ATOM 512 CD GLU A 33 10.636 0.566 1.772 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.705 0.163 2.203 1.00 0.00 O ATOM 514 OE2 GLU A 33 10.505 1.595 1.129 1.00 0.00 O ATOM 0 H GLU A 33 10.968 1.064 4.531 1.00 0.00 H new ATOM 0 HA GLU A 33 8.346 1.548 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.127 -0.831 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.415 -1.130 3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.476 -1.243 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.512 0.220 1.630 1.00 0.00 H new ATOM 521 N VAL A 34 6.744 0.986 5.299 1.00 0.00 N ATOM 522 CA VAL A 34 5.818 0.817 6.417 1.00 0.00 C ATOM 523 C VAL A 34 4.892 -0.372 6.171 1.00 0.00 C ATOM 524 O VAL A 34 4.472 -1.053 7.106 1.00 0.00 O ATOM 525 CB VAL A 34 4.972 2.080 6.608 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.880 3.249 6.995 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.243 2.413 5.304 1.00 0.00 C ATOM 0 H VAL A 34 6.313 1.313 4.434 1.00 0.00 H new ATOM 0 HA VAL A 34 6.407 0.636 7.316 1.00 0.00 H new ATOM 0 HB VAL A 34 4.241 1.908 7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.278 4.148 7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.398 3.015 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.612 3.418 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.642 3.312 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.973 2.583 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.594 1.582 5.027 1.00 0.00 H new ATOM 537 N ASP A 35 4.579 -0.613 4.899 1.00 0.00 N ATOM 538 CA ASP A 35 3.701 -1.722 4.532 1.00 0.00 C ATOM 539 C ASP A 35 2.323 -1.546 5.162 1.00 0.00 C ATOM 540 O ASP A 35 2.126 -1.821 6.345 1.00 0.00 O ATOM 541 CB ASP A 35 4.294 -3.055 4.994 1.00 0.00 C ATOM 542 CG ASP A 35 5.651 -3.267 4.332 1.00 0.00 C ATOM 543 OD1 ASP A 35 6.495 -2.395 4.465 1.00 0.00 O ATOM 544 OD2 ASP A 35 5.826 -4.296 3.700 1.00 0.00 O ATOM 0 H ASP A 35 4.917 -0.060 4.111 1.00 0.00 H new ATOM 0 HA ASP A 35 3.606 -1.726 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.402 -3.060 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.621 -3.873 4.737 1.00 0.00 H new ATOM 549 N ASP A 36 1.373 -1.083 4.355 1.00 0.00 N ATOM 550 CA ASP A 36 0.012 -0.870 4.838 1.00 0.00 C ATOM 551 C ASP A 36 -0.999 -1.492 3.870 1.00 0.00 C ATOM 552 O ASP A 36 -0.690 -1.710 2.698 1.00 0.00 O ATOM 553 CB ASP A 36 -0.284 0.625 4.974 1.00 0.00 C ATOM 554 CG ASP A 36 0.354 1.156 6.253 1.00 0.00 C ATOM 555 OD1 ASP A 36 1.436 0.700 6.586 1.00 0.00 O ATOM 556 OD2 ASP A 36 -0.249 2.010 6.881 1.00 0.00 O ATOM 0 H ASP A 36 1.518 -0.850 3.373 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.076 -1.345 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.105 1.164 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.361 0.793 4.995 1.00 0.00 H new ATOM 561 N PRO A 37 -2.217 -1.788 4.345 1.00 0.00 N ATOM 562 CA PRO A 37 -3.262 -2.389 3.503 1.00 0.00 C ATOM 563 C PRO A 37 -3.831 -1.405 2.481 1.00 0.00 C ATOM 564 O PRO A 37 -3.844 -1.675 1.280 1.00 0.00 O ATOM 565 CB PRO A 37 -4.336 -2.821 4.498 1.00 0.00 C ATOM 566 CG PRO A 37 -4.147 -1.941 5.686 1.00 0.00 C ATOM 567 CD PRO A 37 -2.690 -1.572 5.725 1.00 0.00 C ATOM 0 HA PRO A 37 -2.871 -3.214 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.334 -2.703 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.225 -3.872 4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.770 -1.050 5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.440 -2.457 6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.551 -0.536 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.142 -2.193 6.434 1.00 0.00 H new ATOM 575 N LYS A 38 -4.301 -0.259 2.972 1.00 0.00 N ATOM 576 CA LYS A 38 -4.871 0.767 2.096 1.00 0.00 C ATOM 577 C LYS A 38 -3.885 1.164 0.997 1.00 0.00 C ATOM 578 O LYS A 38 -4.282 1.580 -0.092 1.00 0.00 O ATOM 579 CB LYS A 38 -5.237 2.013 2.906 1.00 0.00 C ATOM 580 CG LYS A 38 -6.291 1.649 3.953 1.00 0.00 C ATOM 581 CD LYS A 38 -6.449 2.803 4.945 1.00 0.00 C ATOM 582 CE LYS A 38 -7.109 2.287 6.225 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.595 2.365 6.140 1.00 0.00 N ATOM 0 H LYS A 38 -4.299 -0.018 3.963 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.766 0.347 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.349 2.417 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.619 2.790 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.244 1.441 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.997 0.741 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.475 3.236 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.054 3.595 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.807 1.255 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.761 2.871 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.017 1.747 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.901 3.346 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.905 2.057 5.196 1.00 0.00 H new ATOM 597 N LEU A 39 -2.594 1.031 1.294 1.00 0.00 N ATOM 598 CA LEU A 39 -1.558 1.379 0.326 1.00 0.00 C ATOM 599 C LEU A 39 -1.618 0.444 -0.880 1.00 0.00 C ATOM 600 O LEU A 39 -1.844 0.878 -2.009 1.00 0.00 O ATOM 601 CB LEU A 39 -0.173 1.288 0.974 1.00 0.00 C ATOM 602 CG LEU A 39 0.789 2.423 0.624 1.00 0.00 C ATOM 603 CD1 LEU A 39 2.124 2.198 1.336 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.016 2.449 -0.889 1.00 0.00 C ATOM 0 H LEU A 39 -2.243 0.688 2.188 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.733 2.402 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.298 1.261 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.285 0.343 0.682 1.00 0.00 H new ATOM 0 HG LEU A 39 0.362 3.373 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.810 3.007 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.963 2.178 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.552 1.248 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.702 3.258 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.443 1.499 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.065 2.609 -1.397 1.00 0.00 H new ATOM 616 N LYS A 40 -1.411 -0.845 -0.626 1.00 0.00 N ATOM 617 CA LYS A 40 -1.441 -1.838 -1.696 1.00 0.00 C ATOM 618 C LYS A 40 -2.829 -1.895 -2.326 1.00 0.00 C ATOM 619 O LYS A 40 -2.970 -2.043 -3.540 1.00 0.00 O ATOM 620 CB LYS A 40 -1.081 -3.223 -1.155 1.00 0.00 C ATOM 621 CG LYS A 40 0.240 -3.147 -0.387 1.00 0.00 C ATOM 622 CD LYS A 40 0.812 -4.555 -0.214 1.00 0.00 C ATOM 623 CE LYS A 40 2.138 -4.477 0.546 1.00 0.00 C ATOM 624 NZ LYS A 40 1.925 -4.548 2.020 1.00 0.00 N ATOM 0 H LYS A 40 -1.222 -1.224 0.302 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.710 -1.544 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.873 -3.586 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.995 -3.934 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.950 -2.518 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.080 -2.686 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.105 -5.182 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.966 -5.019 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.788 -5.293 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.649 -3.547 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.843 -4.493 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.324 -3.755 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.459 -5.446 2.261 1.00 0.00 H new ATOM 638 N GLU A 41 -3.851 -1.777 -1.484 1.00 0.00 N ATOM 639 CA GLU A 41 -5.230 -1.817 -1.963 1.00 0.00 C ATOM 640 C GLU A 41 -5.501 -0.647 -2.904 1.00 0.00 C ATOM 641 O GLU A 41 -5.813 -0.835 -4.079 1.00 0.00 O ATOM 642 CB GLU A 41 -6.205 -1.742 -0.787 1.00 0.00 C ATOM 643 CG GLU A 41 -6.052 -2.991 0.084 1.00 0.00 C ATOM 644 CD GLU A 41 -7.068 -4.044 -0.351 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.188 -3.668 -0.654 1.00 0.00 O ATOM 646 OE2 GLU A 41 -6.709 -5.210 -0.374 1.00 0.00 O ATOM 0 H GLU A 41 -3.753 -1.654 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.374 -2.756 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.010 -0.847 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.228 -1.665 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.041 -3.388 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.203 -2.736 1.133 1.00 0.00 H new ATOM 653 N HIS A 42 -5.375 0.568 -2.369 1.00 0.00 N ATOM 654 CA HIS A 42 -5.609 1.783 -3.157 1.00 0.00 C ATOM 655 C HIS A 42 -4.798 1.769 -4.453 1.00 0.00 C ATOM 656 O HIS A 42 -5.271 2.207 -5.502 1.00 0.00 O ATOM 657 CB HIS A 42 -5.219 3.023 -2.348 1.00 0.00 C ATOM 658 CG HIS A 42 -5.753 4.253 -3.029 1.00 0.00 C ATOM 659 ND1 HIS A 42 -7.032 4.673 -3.298 1.00 0.00 N flip ATOM 660 CD2 HIS A 42 -4.918 5.238 -3.534 1.00 0.00 C flip ATOM 661 CE1 HIS A 42 -6.995 5.898 -3.958 1.00 0.00 C flip ATOM 662 NE2 HIS A 42 -5.698 6.192 -4.076 1.00 0.00 N flip ATOM 0 H HIS A 42 -5.114 0.739 -1.398 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.671 1.814 -3.402 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.619 2.951 -1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.135 3.086 -2.258 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -7.881 4.164 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.839 5.240 -3.499 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.835 6.484 -4.301 1.00 0.00 H new ATOM 670 N ALA A 43 -3.571 1.258 -4.367 1.00 0.00 N ATOM 671 CA ALA A 43 -2.690 1.192 -5.535 1.00 0.00 C ATOM 672 C ALA A 43 -3.369 0.472 -6.701 1.00 0.00 C ATOM 673 O ALA A 43 -3.358 0.954 -7.835 1.00 0.00 O ATOM 674 CB ALA A 43 -1.395 0.455 -5.185 1.00 0.00 C ATOM 0 H ALA A 43 -3.165 0.886 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.465 2.216 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.751 0.414 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.881 0.984 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.630 -0.559 -4.860 1.00 0.00 H new ATOM 680 N PHE A 44 -3.959 -0.688 -6.413 1.00 0.00 N ATOM 681 CA PHE A 44 -4.640 -1.469 -7.450 1.00 0.00 C ATOM 682 C PHE A 44 -5.721 -0.632 -8.134 1.00 0.00 C ATOM 683 O PHE A 44 -5.964 -0.769 -9.334 1.00 0.00 O ATOM 684 CB PHE A 44 -5.274 -2.731 -6.851 1.00 0.00 C ATOM 685 CG PHE A 44 -5.865 -3.590 -7.952 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.106 -3.905 -9.089 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.174 -4.072 -7.832 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.657 -4.698 -10.101 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.725 -4.866 -8.845 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.966 -5.179 -9.979 1.00 0.00 C ATOM 0 H PHE A 44 -3.981 -1.105 -5.483 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.894 -1.762 -8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.524 -3.298 -6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.051 -2.454 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.096 -3.535 -9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.759 -3.831 -6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.073 -4.939 -10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.735 -5.237 -8.752 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.391 -5.792 -10.760 1.00 0.00 H new ATOM 700 N CYS A 45 -6.359 0.242 -7.363 1.00 0.00 N ATOM 701 CA CYS A 45 -7.401 1.102 -7.917 1.00 0.00 C ATOM 702 C CYS A 45 -6.805 2.045 -8.959 1.00 0.00 C ATOM 703 O CYS A 45 -7.480 2.453 -9.904 1.00 0.00 O ATOM 704 CB CYS A 45 -8.065 1.928 -6.813 1.00 0.00 C ATOM 705 SG CYS A 45 -8.814 0.817 -5.596 1.00 0.00 S ATOM 0 H CYS A 45 -6.178 0.374 -6.368 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.152 0.465 -8.385 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.328 2.569 -6.330 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.825 2.582 -7.241 1.00 0.00 H new ATOM 710 N ILE A 46 -5.529 2.384 -8.777 1.00 0.00 N ATOM 711 CA ILE A 46 -4.847 3.277 -9.712 1.00 0.00 C ATOM 712 C ILE A 46 -4.274 2.468 -10.870 1.00 0.00 C ATOM 713 O ILE A 46 -4.283 2.906 -12.019 1.00 0.00 O ATOM 714 CB ILE A 46 -3.700 4.042 -9.027 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.082 4.438 -7.587 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.390 5.308 -9.828 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.373 5.263 -7.588 1.00 0.00 C ATOM 0 H ILE A 46 -4.953 2.058 -8.001 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.579 3.998 -10.075 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.826 3.392 -8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.215 3.543 -6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.275 5.014 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.578 5.853 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.093 5.034 -10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.277 5.940 -9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.631 5.536 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.226 6.167 -8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.181 4.674 -8.021 1.00 0.00 H new ATOM 729 N LEU A 47 -3.777 1.276 -10.549 1.00 0.00 N ATOM 730 CA LEU A 47 -3.201 0.397 -11.564 1.00 0.00 C ATOM 731 C LEU A 47 -4.254 0.037 -12.611 1.00 0.00 C ATOM 732 O LEU A 47 -4.002 0.095 -13.815 1.00 0.00 O ATOM 733 CB LEU A 47 -2.669 -0.888 -10.911 1.00 0.00 C ATOM 734 CG LEU A 47 -1.174 -0.895 -10.574 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.362 -0.931 -11.869 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.817 0.366 -9.780 1.00 0.00 C ATOM 0 H LEU A 47 -3.761 0.898 -9.602 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.378 0.922 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.230 -1.066 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.876 -1.725 -11.578 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.943 -1.775 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.702 -0.936 -11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.613 -1.831 -12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.596 -0.052 -12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.247 0.357 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.048 1.249 -10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.395 0.390 -8.856 1.00 0.00 H new ATOM 748 N LYS A 48 -5.437 -0.339 -12.133 1.00 0.00 N ATOM 749 CA LYS A 48 -6.531 -0.714 -13.026 1.00 0.00 C ATOM 750 C LYS A 48 -7.007 0.487 -13.840 1.00 0.00 C ATOM 751 O LYS A 48 -7.132 0.414 -15.063 1.00 0.00 O ATOM 752 CB LYS A 48 -7.709 -1.267 -12.218 1.00 0.00 C ATOM 753 CG LYS A 48 -8.416 -2.362 -13.020 1.00 0.00 C ATOM 754 CD LYS A 48 -9.658 -2.831 -12.259 1.00 0.00 C ATOM 755 CE LYS A 48 -10.677 -1.693 -12.193 1.00 0.00 C ATOM 756 NZ LYS A 48 -12.052 -2.208 -11.941 1.00 0.00 N ATOM 0 H LYS A 48 -5.663 -0.392 -11.140 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.158 -1.480 -13.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.355 -1.669 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.409 -0.465 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.700 -1.983 -14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.740 -3.201 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.096 -3.697 -12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.383 -3.146 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.397 -0.997 -11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.662 -1.134 -13.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.719 -1.411 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.327 -2.853 -12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.071 -2.720 -11.036 1.00 0.00 H new ATOM 770 N ARG A 49 -7.281 1.591 -13.148 1.00 0.00 N ATOM 771 CA ARG A 49 -7.756 2.802 -13.817 1.00 0.00 C ATOM 772 C ARG A 49 -6.685 3.366 -14.748 1.00 0.00 C ATOM 773 O ARG A 49 -6.981 3.827 -15.850 1.00 0.00 O ATOM 774 CB ARG A 49 -8.134 3.869 -12.788 1.00 0.00 C ATOM 775 CG ARG A 49 -9.609 3.712 -12.408 1.00 0.00 C ATOM 776 CD ARG A 49 -10.180 5.068 -11.983 1.00 0.00 C ATOM 777 NE ARG A 49 -10.199 5.185 -10.528 1.00 0.00 N ATOM 778 CZ ARG A 49 -11.108 4.542 -9.801 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.365 4.572 -10.153 1.00 0.00 N ATOM 780 NH2 ARG A 49 -10.745 3.883 -8.734 1.00 0.00 N ATOM 0 H ARG A 49 -7.184 1.673 -12.136 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.634 2.533 -14.404 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.507 3.773 -11.902 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.957 4.863 -13.198 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.172 3.318 -13.254 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.710 2.993 -11.595 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.580 5.871 -12.410 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.190 5.182 -12.376 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.504 5.769 -10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.649 5.088 -10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.063 4.079 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.763 3.861 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.443 3.390 -8.177 1.00 0.00 H new ATOM 794 N ALA A 50 -5.438 3.330 -14.288 1.00 0.00 N ATOM 795 CA ALA A 50 -4.323 3.845 -15.083 1.00 0.00 C ATOM 796 C ALA A 50 -4.216 3.104 -16.414 1.00 0.00 C ATOM 797 O ALA A 50 -3.767 3.662 -17.416 1.00 0.00 O ATOM 798 CB ALA A 50 -3.007 3.689 -14.321 1.00 0.00 C ATOM 0 H ALA A 50 -5.173 2.954 -13.378 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.513 4.901 -15.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.188 4.077 -14.926 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.061 4.244 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.833 2.634 -14.108 1.00 0.00 H new ATOM 804 N GLY A 51 -4.632 1.841 -16.414 1.00 0.00 N ATOM 805 CA GLY A 51 -4.576 1.031 -17.625 1.00 0.00 C ATOM 806 C GLY A 51 -3.304 0.192 -17.659 1.00 0.00 C ATOM 807 O GLY A 51 -2.773 -0.115 -18.727 1.00 0.00 O ATOM 0 H GLY A 51 -5.008 1.360 -15.597 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.448 0.379 -17.672 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.614 1.677 -18.502 1.00 0.00 H new ATOM 811 N PHE A 52 -2.823 -0.182 -16.476 1.00 0.00 N ATOM 812 CA PHE A 52 -1.612 -0.992 -16.377 1.00 0.00 C ATOM 813 C PHE A 52 -1.976 -2.455 -16.151 1.00 0.00 C ATOM 814 O PHE A 52 -1.282 -3.362 -16.608 1.00 0.00 O ATOM 815 CB PHE A 52 -0.739 -0.510 -15.217 1.00 0.00 C ATOM 816 CG PHE A 52 0.164 0.603 -15.693 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.034 0.388 -16.768 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.129 1.851 -15.058 1.00 0.00 C ATOM 819 CE1 PHE A 52 1.871 1.421 -17.208 1.00 0.00 C ATOM 820 CE2 PHE A 52 0.966 2.883 -15.499 1.00 0.00 C ATOM 821 CZ PHE A 52 1.836 2.669 -16.573 1.00 0.00 C ATOM 0 H PHE A 52 -3.248 0.060 -15.581 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.058 -0.892 -17.311 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.366 -0.158 -14.398 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.142 -1.336 -14.830 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.060 -0.574 -17.258 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.543 2.017 -14.229 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.543 1.255 -18.037 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.940 3.845 -15.009 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.481 3.466 -16.913 1.00 0.00 H new ATOM 831 N ILE A 53 -3.076 -2.673 -15.438 1.00 0.00 N ATOM 832 CA ILE A 53 -3.532 -4.028 -15.152 1.00 0.00 C ATOM 833 C ILE A 53 -5.012 -4.168 -15.514 1.00 0.00 C ATOM 834 O ILE A 53 -5.786 -3.221 -15.382 1.00 0.00 O ATOM 835 CB ILE A 53 -3.311 -4.360 -13.668 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.664 -5.825 -13.410 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.182 -3.461 -12.783 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.966 -6.302 -12.132 1.00 0.00 C ATOM 0 H ILE A 53 -3.664 -1.935 -15.050 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.955 -4.730 -15.754 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.263 -4.187 -13.424 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.744 -5.938 -13.311 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.356 -6.439 -14.256 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.014 -3.709 -11.735 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.920 -2.417 -12.955 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.233 -3.617 -13.028 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.218 -7.346 -11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.887 -6.204 -12.249 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.296 -5.695 -11.289 1.00 0.00 H new ATOM 850 N ASP A 54 -5.396 -5.353 -15.982 1.00 0.00 N ATOM 851 CA ASP A 54 -6.786 -5.585 -16.366 1.00 0.00 C ATOM 852 C ASP A 54 -7.590 -6.146 -15.197 1.00 0.00 C ATOM 853 O ASP A 54 -7.048 -6.782 -14.293 1.00 0.00 O ATOM 854 CB ASP A 54 -6.871 -6.560 -17.546 1.00 0.00 C ATOM 855 CG ASP A 54 -6.079 -7.828 -17.239 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.946 -8.161 -16.071 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.619 -8.453 -18.180 1.00 0.00 O ATOM 0 H ASP A 54 -4.777 -6.155 -16.103 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.206 -4.624 -16.661 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.913 -6.812 -17.745 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.480 -6.087 -18.447 1.00 0.00 H new ATOM 862 N ALA A 55 -8.899 -5.897 -15.235 1.00 0.00 N ATOM 863 CA ALA A 55 -9.806 -6.365 -14.184 1.00 0.00 C ATOM 864 C ALA A 55 -9.667 -7.871 -13.936 1.00 0.00 C ATOM 865 O ALA A 55 -10.035 -8.367 -12.871 1.00 0.00 O ATOM 866 CB ALA A 55 -11.255 -6.062 -14.566 1.00 0.00 C ATOM 0 H ALA A 55 -9.356 -5.374 -15.982 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.536 -5.837 -13.269 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.920 -6.414 -13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.380 -4.987 -14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.499 -6.569 -15.500 1.00 0.00 H new ATOM 872 N SER A 56 -9.148 -8.599 -14.927 1.00 0.00 N ATOM 873 CA SER A 56 -8.989 -10.048 -14.790 1.00 0.00 C ATOM 874 C SER A 56 -7.619 -10.421 -14.212 1.00 0.00 C ATOM 875 O SER A 56 -7.153 -11.547 -14.384 1.00 0.00 O ATOM 876 CB SER A 56 -9.150 -10.729 -16.150 1.00 0.00 C ATOM 877 OG SER A 56 -8.971 -12.130 -15.998 1.00 0.00 O ATOM 0 H SER A 56 -8.835 -8.217 -15.819 1.00 0.00 H new ATOM 0 HA SER A 56 -9.762 -10.390 -14.102 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.138 -10.519 -16.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.421 -10.332 -16.857 1.00 0.00 H new ATOM 0 HG SER A 56 -8.237 -12.300 -15.371 1.00 0.00 H new ATOM 883 N GLY A 57 -6.983 -9.478 -13.516 1.00 0.00 N ATOM 884 CA GLY A 57 -5.677 -9.739 -12.912 1.00 0.00 C ATOM 885 C GLY A 57 -4.654 -10.173 -13.959 1.00 0.00 C ATOM 886 O GLY A 57 -4.525 -11.357 -14.270 1.00 0.00 O ATOM 0 H GLY A 57 -7.346 -8.538 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.323 -8.841 -12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.774 -10.515 -12.153 1.00 0.00 H new ATOM 890 N GLU A 58 -3.923 -9.197 -14.488 1.00 0.00 N ATOM 891 CA GLU A 58 -2.901 -9.476 -15.494 1.00 0.00 C ATOM 892 C GLU A 58 -1.902 -8.326 -15.550 1.00 0.00 C ATOM 893 O GLU A 58 -2.220 -7.232 -16.015 1.00 0.00 O ATOM 894 CB GLU A 58 -3.536 -9.657 -16.874 1.00 0.00 C ATOM 895 CG GLU A 58 -2.735 -10.685 -17.676 1.00 0.00 C ATOM 896 CD GLU A 58 -3.564 -11.165 -18.862 1.00 0.00 C ATOM 897 OE1 GLU A 58 -4.485 -11.935 -18.643 1.00 0.00 O ATOM 898 OE2 GLU A 58 -3.267 -10.755 -19.972 1.00 0.00 O ATOM 0 H GLU A 58 -4.017 -8.212 -14.240 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.389 -10.397 -15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.569 -9.987 -16.770 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.558 -8.704 -17.403 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.803 -10.242 -18.026 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.468 -11.529 -17.040 1.00 0.00 H new ATOM 905 N PHE A 59 -0.692 -8.581 -15.061 1.00 0.00 N ATOM 906 CA PHE A 59 0.341 -7.548 -15.051 1.00 0.00 C ATOM 907 C PHE A 59 0.815 -7.237 -16.466 1.00 0.00 C ATOM 908 O PHE A 59 0.836 -8.103 -17.340 1.00 0.00 O ATOM 909 CB PHE A 59 1.548 -7.983 -14.209 1.00 0.00 C ATOM 910 CG PHE A 59 1.999 -9.367 -14.618 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.642 -9.562 -15.847 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.778 -10.455 -13.765 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.061 -10.844 -16.222 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.197 -11.736 -14.139 1.00 0.00 C ATOM 915 CZ PHE A 59 2.839 -11.931 -15.368 1.00 0.00 C ATOM 0 H PHE A 59 -0.404 -9.479 -14.672 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.103 -6.654 -14.612 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.365 -7.273 -14.338 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.284 -7.976 -13.151 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.815 -8.723 -16.505 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.283 -10.305 -12.817 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.556 -10.995 -17.170 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.025 -12.574 -13.480 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.163 -12.920 -15.657 1.00 0.00 H new ATOM 925 N GLN A 60 1.206 -5.983 -16.669 1.00 0.00 N ATOM 926 CA GLN A 60 1.699 -5.537 -17.969 1.00 0.00 C ATOM 927 C GLN A 60 2.961 -4.708 -17.772 1.00 0.00 C ATOM 928 O GLN A 60 2.909 -3.482 -17.671 1.00 0.00 O ATOM 929 CB GLN A 60 0.647 -4.688 -18.687 1.00 0.00 C ATOM 930 CG GLN A 60 -0.571 -5.553 -19.015 1.00 0.00 C ATOM 931 CD GLN A 60 -0.288 -6.376 -20.267 1.00 0.00 C ATOM 932 OE1 GLN A 60 -0.005 -5.823 -21.330 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.349 -7.678 -20.206 1.00 0.00 N ATOM 0 H GLN A 60 1.191 -5.258 -15.952 1.00 0.00 H new ATOM 0 HA GLN A 60 1.916 -6.415 -18.578 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.351 -3.848 -18.058 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.065 -4.269 -19.602 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.798 -6.212 -18.177 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.446 -4.923 -19.171 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.583 -8.137 -19.326 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.162 -8.237 -21.039 1.00 0.00 H new ATOM 942 N LEU A 61 4.095 -5.395 -17.692 1.00 0.00 N ATOM 943 CA LEU A 61 5.372 -4.720 -17.479 1.00 0.00 C ATOM 944 C LEU A 61 5.838 -4.008 -18.741 1.00 0.00 C ATOM 945 O LEU A 61 6.430 -2.932 -18.674 1.00 0.00 O ATOM 946 CB LEU A 61 6.435 -5.731 -17.050 1.00 0.00 C ATOM 947 CG LEU A 61 6.002 -6.710 -15.954 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.202 -7.552 -15.516 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.466 -5.926 -14.754 1.00 0.00 C ATOM 0 H LEU A 61 4.158 -6.410 -17.770 1.00 0.00 H new ATOM 0 HA LEU A 61 5.228 -3.978 -16.694 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.743 -6.304 -17.925 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.312 -5.186 -16.701 1.00 0.00 H new ATOM 0 HG LEU A 61 5.221 -7.365 -16.341 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.893 -8.248 -14.736 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.586 -8.111 -16.370 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.984 -6.898 -15.129 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.158 -6.621 -13.973 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.248 -5.271 -14.369 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.610 -5.326 -15.064 1.00 0.00 H new ATOM 961 N ASP A 62 5.564 -4.612 -19.897 1.00 0.00 N ATOM 962 CA ASP A 62 5.966 -4.016 -21.174 1.00 0.00 C ATOM 963 C ASP A 62 5.460 -2.577 -21.293 1.00 0.00 C ATOM 964 O ASP A 62 6.071 -1.745 -21.962 1.00 0.00 O ATOM 965 CB ASP A 62 5.418 -4.836 -22.345 1.00 0.00 C ATOM 966 CG ASP A 62 6.431 -5.906 -22.736 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.575 -5.552 -22.970 1.00 0.00 O ATOM 968 OD2 ASP A 62 6.049 -7.062 -22.795 1.00 0.00 O ATOM 0 H ASP A 62 5.072 -5.502 -19.978 1.00 0.00 H new ATOM 0 HA ASP A 62 7.056 -4.014 -21.207 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.472 -5.300 -22.066 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.215 -4.185 -23.195 1.00 0.00 H new ATOM 973 N HIS A 63 4.345 -2.293 -20.626 1.00 0.00 N ATOM 974 CA HIS A 63 3.776 -0.950 -20.653 1.00 0.00 C ATOM 975 C HIS A 63 4.402 -0.096 -19.555 1.00 0.00 C ATOM 976 O HIS A 63 4.585 1.112 -19.713 1.00 0.00 O ATOM 977 CB HIS A 63 2.262 -1.003 -20.446 1.00 0.00 C ATOM 978 CG HIS A 63 1.593 -1.404 -21.732 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.271 -0.482 -22.716 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.180 -2.623 -22.211 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.690 -1.155 -23.728 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.610 -2.464 -23.471 1.00 0.00 N ATOM 0 H HIS A 63 3.823 -2.967 -20.066 1.00 0.00 H new ATOM 0 HA HIS A 63 3.988 -0.509 -21.627 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.017 -1.716 -19.659 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.895 -0.030 -20.121 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.282 -3.563 -21.689 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.332 -0.693 -24.636 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.216 -3.190 -24.069 1.00 0.00 H new ATOM 990 N ILE A 64 4.732 -0.742 -18.438 1.00 0.00 N ATOM 991 CA ILE A 64 5.341 -0.045 -17.309 1.00 0.00 C ATOM 992 C ILE A 64 6.757 0.413 -17.665 1.00 0.00 C ATOM 993 O ILE A 64 7.077 1.599 -17.587 1.00 0.00 O ATOM 994 CB ILE A 64 5.391 -0.967 -16.082 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.968 -1.412 -15.730 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.996 -0.226 -14.885 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.013 -2.721 -14.935 1.00 0.00 C ATOM 0 H ILE A 64 4.589 -1.741 -18.292 1.00 0.00 H new ATOM 0 HA ILE A 64 4.733 0.830 -17.077 1.00 0.00 H new ATOM 0 HB ILE A 64 6.010 -1.834 -16.314 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.470 -0.638 -15.146 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.385 -1.549 -16.641 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.025 -0.891 -14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.008 0.096 -15.130 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.385 0.646 -14.650 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.998 -3.032 -14.688 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.494 -3.494 -15.534 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.580 -2.569 -14.016 1.00 0.00 H new ATOM 1009 N LYS A 65 7.604 -0.544 -18.052 1.00 0.00 N ATOM 1010 CA LYS A 65 8.991 -0.232 -18.409 1.00 0.00 C ATOM 1011 C LYS A 65 9.061 0.894 -19.444 1.00 0.00 C ATOM 1012 O LYS A 65 9.864 1.819 -19.320 1.00 0.00 O ATOM 1013 CB LYS A 65 9.703 -1.474 -18.961 1.00 0.00 C ATOM 1014 CG LYS A 65 8.968 -2.000 -20.194 1.00 0.00 C ATOM 1015 CD LYS A 65 9.391 -3.450 -20.453 1.00 0.00 C ATOM 1016 CE LYS A 65 8.835 -4.365 -19.355 1.00 0.00 C ATOM 1017 NZ LYS A 65 9.869 -5.322 -18.871 1.00 0.00 N ATOM 0 H LYS A 65 7.358 -1.531 -18.126 1.00 0.00 H new ATOM 0 HA LYS A 65 9.492 0.098 -17.499 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.732 -1.227 -19.220 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.744 -2.249 -18.195 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.890 -1.945 -20.041 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.199 -1.381 -21.061 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.026 -3.775 -21.427 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.478 -3.521 -20.480 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.478 -3.760 -18.521 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.977 -4.917 -19.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.462 -5.927 -18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.191 -5.915 -19.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.676 -4.794 -18.483 1.00 0.00 H new ATOM 1031 N THR A 66 8.206 0.809 -20.462 1.00 0.00 N ATOM 1032 CA THR A 66 8.175 1.831 -21.511 1.00 0.00 C ATOM 1033 C THR A 66 7.906 3.210 -20.911 1.00 0.00 C ATOM 1034 O THR A 66 8.517 4.204 -21.305 1.00 0.00 O ATOM 1035 CB THR A 66 7.085 1.510 -22.540 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.251 0.177 -23.001 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.194 2.476 -23.721 1.00 0.00 C ATOM 0 H THR A 66 7.532 0.053 -20.584 1.00 0.00 H new ATOM 0 HA THR A 66 9.148 1.836 -22.003 1.00 0.00 H new ATOM 0 HB THR A 66 6.104 1.617 -22.076 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.834 -0.443 -22.367 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.418 2.246 -24.452 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.068 3.499 -23.367 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.174 2.372 -24.187 1.00 0.00 H new ATOM 1045 N LYS A 67 6.982 3.256 -19.954 1.00 0.00 N ATOM 1046 CA LYS A 67 6.634 4.517 -19.303 1.00 0.00 C ATOM 1047 C LYS A 67 7.827 5.061 -18.525 1.00 0.00 C ATOM 1048 O LYS A 67 8.161 6.242 -18.613 1.00 0.00 O ATOM 1049 CB LYS A 67 5.461 4.315 -18.340 1.00 0.00 C ATOM 1050 CG LYS A 67 4.169 4.123 -19.138 1.00 0.00 C ATOM 1051 CD LYS A 67 3.431 5.460 -19.252 1.00 0.00 C ATOM 1052 CE LYS A 67 1.949 5.203 -19.534 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.122 6.405 -19.232 1.00 0.00 N ATOM 0 H LYS A 67 6.466 2.444 -19.615 1.00 0.00 H new ATOM 0 HA LYS A 67 6.350 5.229 -20.077 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.642 3.446 -17.707 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.367 5.177 -17.679 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.397 3.737 -20.131 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.533 3.386 -18.648 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.543 6.029 -18.329 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.865 6.060 -20.051 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.819 4.923 -20.579 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.603 4.361 -18.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.123 6.198 -19.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.228 6.656 -18.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.437 7.201 -19.823 1.00 0.00 H new ATOM 1067 N PHE A 68 8.467 4.183 -17.758 1.00 0.00 N ATOM 1068 CA PHE A 68 9.624 4.581 -16.964 1.00 0.00 C ATOM 1069 C PHE A 68 10.804 4.920 -17.870 1.00 0.00 C ATOM 1070 O PHE A 68 11.601 5.808 -17.571 1.00 0.00 O ATOM 1071 CB PHE A 68 10.034 3.451 -16.016 1.00 0.00 C ATOM 1072 CG PHE A 68 9.301 3.601 -14.704 1.00 0.00 C ATOM 1073 CD1 PHE A 68 9.548 4.710 -13.887 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.376 2.629 -14.305 1.00 0.00 C ATOM 1075 CE1 PHE A 68 8.869 4.848 -12.670 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.696 2.767 -13.088 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.942 3.876 -12.272 1.00 0.00 C ATOM 0 H PHE A 68 8.207 3.201 -17.670 1.00 0.00 H new ATOM 0 HA PHE A 68 9.347 5.462 -16.385 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.804 2.485 -16.465 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.111 3.476 -15.848 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.262 5.459 -14.195 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.187 1.773 -14.935 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.060 5.703 -12.039 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.982 2.017 -12.780 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.417 3.983 -11.334 1.00 0.00 H new ATOM 1087 N LYS A 69 10.909 4.196 -18.980 1.00 0.00 N ATOM 1088 CA LYS A 69 12.001 4.419 -19.926 1.00 0.00 C ATOM 1089 C LYS A 69 11.764 5.686 -20.751 1.00 0.00 C ATOM 1090 O LYS A 69 12.428 6.699 -20.535 1.00 0.00 O ATOM 1091 CB LYS A 69 12.141 3.224 -20.872 1.00 0.00 C ATOM 1092 CG LYS A 69 12.818 2.067 -20.136 1.00 0.00 C ATOM 1093 CD LYS A 69 13.410 1.090 -21.155 1.00 0.00 C ATOM 1094 CE LYS A 69 14.021 -0.105 -20.422 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.989 -0.837 -21.287 1.00 0.00 N ATOM 0 H LYS A 69 10.259 3.456 -19.246 1.00 0.00 H new ATOM 0 HA LYS A 69 12.918 4.538 -19.349 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.160 2.915 -21.232 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.728 3.506 -21.746 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.603 2.447 -19.483 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.096 1.554 -19.501 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.635 0.751 -21.842 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.171 1.590 -21.754 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.526 0.239 -19.519 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.229 -0.783 -20.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.696 -1.313 -20.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.481 -1.546 -21.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.466 -0.164 -21.920 1.00 0.00 H new ATOM 1109 N GLU A 70 10.810 5.584 -21.699 1.00 0.00 N ATOM 1110 CA GLU A 70 10.418 6.680 -22.628 1.00 0.00 C ATOM 1111 C GLU A 70 11.061 8.043 -22.319 1.00 0.00 C ATOM 1112 O GLU A 70 10.416 8.955 -21.802 1.00 0.00 O ATOM 1113 CB GLU A 70 8.894 6.849 -22.620 1.00 0.00 C ATOM 1114 CG GLU A 70 8.409 7.147 -21.193 1.00 0.00 C ATOM 1115 CD GLU A 70 7.521 8.388 -21.195 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.468 8.338 -21.809 1.00 0.00 O ATOM 1117 OE2 GLU A 70 7.909 9.371 -20.583 1.00 0.00 O ATOM 0 H GLU A 70 10.278 4.727 -21.848 1.00 0.00 H new ATOM 0 HA GLU A 70 10.787 6.373 -23.607 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.606 7.660 -23.288 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.417 5.943 -22.994 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.855 6.293 -20.802 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.263 7.301 -20.534 1.00 0.00 H new ATOM 1210 N LYS A 77 18.193 0.838 -15.983 1.00 0.00 N ATOM 1211 CA LYS A 77 18.027 0.028 -14.778 1.00 0.00 C ATOM 1212 C LYS A 77 16.550 -0.280 -14.515 1.00 0.00 C ATOM 1213 O LYS A 77 16.226 -1.191 -13.751 1.00 0.00 O ATOM 1214 CB LYS A 77 18.603 0.757 -13.563 1.00 0.00 C ATOM 1215 CG LYS A 77 20.131 0.695 -13.607 1.00 0.00 C ATOM 1216 CD LYS A 77 20.605 -0.646 -13.042 1.00 0.00 C ATOM 1217 CE LYS A 77 20.846 -0.509 -11.538 1.00 0.00 C ATOM 1218 NZ LYS A 77 20.662 -1.811 -10.835 1.00 0.00 N ATOM 0 HA LYS A 77 18.562 -0.908 -14.938 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.271 1.795 -13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.236 0.300 -12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.481 0.813 -14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.555 1.516 -13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.859 -1.417 -13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.522 -0.959 -13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.856 -0.139 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.159 0.230 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.833 -1.683 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.690 -2.151 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.334 -2.508 -11.214 1.00 0.00 H new ATOM 1232 N VAL A 78 15.654 0.485 -15.144 1.00 0.00 N ATOM 1233 CA VAL A 78 14.218 0.274 -14.953 1.00 0.00 C ATOM 1234 C VAL A 78 13.822 -1.150 -15.343 1.00 0.00 C ATOM 1235 O VAL A 78 13.196 -1.867 -14.565 1.00 0.00 O ATOM 1236 CB VAL A 78 13.413 1.263 -15.799 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.924 1.148 -15.455 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.890 2.689 -15.510 1.00 0.00 C ATOM 0 H VAL A 78 15.893 1.245 -15.781 1.00 0.00 H new ATOM 0 HA VAL A 78 13.998 0.433 -13.897 1.00 0.00 H new ATOM 0 HB VAL A 78 13.559 1.034 -16.854 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.355 1.854 -16.060 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.580 0.134 -15.661 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.776 1.374 -14.399 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.317 3.394 -16.113 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.746 2.914 -14.453 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.948 2.776 -15.758 1.00 0.00 H new ATOM 1248 N ASP A 79 14.191 -1.551 -16.561 1.00 0.00 N ATOM 1249 CA ASP A 79 13.863 -2.894 -17.053 1.00 0.00 C ATOM 1250 C ASP A 79 14.273 -3.972 -16.047 1.00 0.00 C ATOM 1251 O ASP A 79 13.502 -4.883 -15.743 1.00 0.00 O ATOM 1252 CB ASP A 79 14.562 -3.167 -18.389 1.00 0.00 C ATOM 1253 CG ASP A 79 16.047 -2.835 -18.275 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.783 -3.668 -17.774 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.426 -1.752 -18.692 1.00 0.00 O ATOM 0 H ASP A 79 14.712 -0.973 -17.220 1.00 0.00 H new ATOM 0 HA ASP A 79 12.782 -2.931 -17.191 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.435 -4.213 -18.669 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.106 -2.568 -19.177 1.00 0.00 H new ATOM 1260 N ASP A 80 15.493 -3.854 -15.529 1.00 0.00 N ATOM 1261 CA ASP A 80 15.992 -4.820 -14.555 1.00 0.00 C ATOM 1262 C ASP A 80 15.215 -4.709 -13.247 1.00 0.00 C ATOM 1263 O ASP A 80 14.850 -5.714 -12.636 1.00 0.00 O ATOM 1264 CB ASP A 80 17.477 -4.581 -14.274 1.00 0.00 C ATOM 1265 CG ASP A 80 18.312 -5.182 -15.400 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.953 -6.249 -15.871 1.00 0.00 O ATOM 1267 OD2 ASP A 80 19.296 -4.566 -15.775 1.00 0.00 O ATOM 0 H ASP A 80 16.148 -3.108 -15.764 1.00 0.00 H new ATOM 0 HA ASP A 80 15.858 -5.817 -14.974 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.675 -3.512 -14.191 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.755 -5.031 -13.321 1.00 0.00 H new ATOM 1272 N LEU A 81 14.971 -3.472 -12.823 1.00 0.00 N ATOM 1273 CA LEU A 81 14.241 -3.229 -11.581 1.00 0.00 C ATOM 1274 C LEU A 81 12.807 -3.747 -11.686 1.00 0.00 C ATOM 1275 O LEU A 81 12.275 -4.331 -10.744 1.00 0.00 O ATOM 1276 CB LEU A 81 14.219 -1.731 -11.260 1.00 0.00 C ATOM 1277 CG LEU A 81 15.320 -1.248 -10.312 1.00 0.00 C ATOM 1278 CD1 LEU A 81 16.689 -1.629 -10.878 1.00 0.00 C ATOM 1279 CD2 LEU A 81 15.235 0.273 -10.169 1.00 0.00 C ATOM 0 H LEU A 81 15.265 -2.629 -13.316 1.00 0.00 H new ATOM 0 HA LEU A 81 14.753 -3.763 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.297 -1.175 -12.194 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.252 -1.484 -10.822 1.00 0.00 H new ATOM 0 HG LEU A 81 15.189 -1.716 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 81 17.471 -1.284 -10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.751 -2.712 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.822 -1.162 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 81 16.018 0.619 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.366 0.738 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.260 0.547 -9.765 1.00 0.00 H new ATOM 1291 N VAL A 82 12.186 -3.521 -12.841 1.00 0.00 N ATOM 1292 CA VAL A 82 10.809 -3.965 -13.059 1.00 0.00 C ATOM 1293 C VAL A 82 10.706 -5.483 -12.903 1.00 0.00 C ATOM 1294 O VAL A 82 9.682 -6.007 -12.469 1.00 0.00 O ATOM 1295 CB VAL A 82 10.340 -3.556 -14.465 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.883 -3.980 -14.684 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.453 -2.032 -14.619 1.00 0.00 C ATOM 0 H VAL A 82 12.608 -3.038 -13.634 1.00 0.00 H new ATOM 0 HA VAL A 82 10.170 -3.490 -12.314 1.00 0.00 H new ATOM 0 HB VAL A 82 10.970 -4.051 -15.204 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.564 -3.684 -15.683 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.800 -5.062 -14.582 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.248 -3.496 -13.942 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.121 -1.741 -15.616 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.828 -1.543 -13.871 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.490 -1.728 -14.480 1.00 0.00 H new ATOM 1307 N ALA A 83 11.778 -6.179 -13.260 1.00 0.00 N ATOM 1308 CA ALA A 83 11.797 -7.636 -13.154 1.00 0.00 C ATOM 1309 C ALA A 83 11.599 -8.083 -11.706 1.00 0.00 C ATOM 1310 O ALA A 83 10.612 -8.739 -11.372 1.00 0.00 O ATOM 1311 CB ALA A 83 13.128 -8.190 -13.665 1.00 0.00 C ATOM 0 H ALA A 83 12.638 -5.766 -13.622 1.00 0.00 H new ATOM 0 HA ALA A 83 10.979 -8.021 -13.762 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.127 -9.277 -13.579 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.262 -7.908 -14.709 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.945 -7.780 -13.071 1.00 0.00 H new ATOM 1317 N LYS A 84 12.564 -7.738 -10.858 1.00 0.00 N ATOM 1318 CA LYS A 84 12.513 -8.123 -9.445 1.00 0.00 C ATOM 1319 C LYS A 84 11.456 -7.337 -8.666 1.00 0.00 C ATOM 1320 O LYS A 84 11.031 -7.760 -7.591 1.00 0.00 O ATOM 1321 CB LYS A 84 13.876 -7.893 -8.790 1.00 0.00 C ATOM 1322 CG LYS A 84 13.917 -8.597 -7.432 1.00 0.00 C ATOM 1323 CD LYS A 84 15.306 -8.431 -6.811 1.00 0.00 C ATOM 1324 CE LYS A 84 15.177 -8.312 -5.291 1.00 0.00 C ATOM 1325 NZ LYS A 84 15.003 -9.648 -4.653 1.00 0.00 N ATOM 0 H LYS A 84 13.387 -7.196 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 84 12.245 -9.179 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.669 -8.275 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.055 -6.825 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.159 -8.178 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.685 -9.655 -7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.934 -9.284 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.793 -7.544 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.065 -7.827 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.326 -7.676 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.919 -9.532 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.142 -10.100 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.827 -10.245 -4.868 1.00 0.00 H new ATOM 1339 N CYS A 85 11.043 -6.188 -9.196 1.00 0.00 N ATOM 1340 CA CYS A 85 10.046 -5.368 -8.505 1.00 0.00 C ATOM 1341 C CYS A 85 8.630 -5.766 -8.907 1.00 0.00 C ATOM 1342 O CYS A 85 7.730 -5.832 -8.071 1.00 0.00 O ATOM 1343 CB CYS A 85 10.251 -3.885 -8.821 1.00 0.00 C ATOM 1344 SG CYS A 85 11.787 -3.312 -8.052 1.00 0.00 S ATOM 0 H CYS A 85 11.374 -5.808 -10.083 1.00 0.00 H new ATOM 0 HA CYS A 85 10.175 -5.536 -7.436 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.293 -3.734 -9.900 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.407 -3.303 -8.451 1.00 0.00 H new ATOM 1349 N ALA A 86 8.436 -6.024 -10.198 1.00 0.00 N ATOM 1350 CA ALA A 86 7.116 -6.409 -10.703 1.00 0.00 C ATOM 1351 C ALA A 86 6.882 -7.924 -10.614 1.00 0.00 C ATOM 1352 O ALA A 86 6.252 -8.514 -11.493 1.00 0.00 O ATOM 1353 CB ALA A 86 6.961 -5.964 -12.157 1.00 0.00 C ATOM 0 H ALA A 86 9.166 -5.975 -10.909 1.00 0.00 H new ATOM 0 HA ALA A 86 6.375 -5.914 -10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.976 -6.255 -12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.066 -4.881 -12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.730 -6.439 -12.767 1.00 0.00 H new ATOM 1359 N VAL A 87 7.380 -8.551 -9.550 1.00 0.00 N ATOM 1360 CA VAL A 87 7.201 -9.991 -9.373 1.00 0.00 C ATOM 1361 C VAL A 87 5.706 -10.334 -9.294 1.00 0.00 C ATOM 1362 O VAL A 87 4.958 -9.755 -8.508 1.00 0.00 O ATOM 1363 CB VAL A 87 7.937 -10.458 -8.099 1.00 0.00 C ATOM 1364 CG1 VAL A 87 7.534 -9.583 -6.911 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.614 -11.929 -7.789 1.00 0.00 C ATOM 0 H VAL A 87 7.905 -8.092 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 87 7.626 -10.512 -10.231 1.00 0.00 H new ATOM 0 HB VAL A 87 9.009 -10.365 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.058 -9.920 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.798 -8.546 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.458 -9.659 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.144 -12.236 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.541 -12.041 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.928 -12.554 -8.625 1.00 0.00 H new ATOM 1375 N LYS A 88 5.288 -11.286 -10.126 1.00 0.00 N ATOM 1376 CA LYS A 88 3.888 -11.703 -10.146 1.00 0.00 C ATOM 1377 C LYS A 88 3.530 -12.415 -8.845 1.00 0.00 C ATOM 1378 O LYS A 88 4.124 -13.433 -8.493 1.00 0.00 O ATOM 1379 CB LYS A 88 3.626 -12.648 -11.324 1.00 0.00 C ATOM 1380 CG LYS A 88 4.585 -13.846 -11.259 1.00 0.00 C ATOM 1381 CD LYS A 88 3.815 -15.106 -10.847 1.00 0.00 C ATOM 1382 CE LYS A 88 4.391 -16.319 -11.578 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.435 -17.463 -11.570 1.00 0.00 N ATOM 0 H LYS A 88 5.890 -11.777 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 88 3.270 -10.812 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.593 -12.996 -11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.760 -12.115 -12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.057 -13.998 -12.229 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.383 -13.646 -10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.885 -15.251 -9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.757 -14.993 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.627 -16.047 -12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.326 -16.621 -11.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.855 -18.270 -12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.229 -17.737 -10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.553 -17.181 -12.043 1.00 0.00 H new ATOM 1397 N LYS A 89 2.550 -11.865 -8.132 1.00 0.00 N ATOM 1398 CA LYS A 89 2.119 -12.456 -6.868 1.00 0.00 C ATOM 1399 C LYS A 89 0.870 -13.307 -7.074 1.00 0.00 C ATOM 1400 O LYS A 89 0.379 -13.454 -8.194 1.00 0.00 O ATOM 1401 CB LYS A 89 1.820 -11.362 -5.842 1.00 0.00 C ATOM 1402 CG LYS A 89 3.069 -10.502 -5.634 1.00 0.00 C ATOM 1403 CD LYS A 89 4.093 -11.282 -4.808 1.00 0.00 C ATOM 1404 CE LYS A 89 5.489 -10.703 -5.041 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.358 -10.881 -3.844 1.00 0.00 N ATOM 0 H LYS A 89 2.045 -11.021 -8.403 1.00 0.00 H new ATOM 0 HA LYS A 89 2.927 -13.087 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.992 -10.742 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.512 -11.809 -4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.498 -10.225 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.805 -9.575 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.838 -11.228 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.074 -12.335 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.948 -11.190 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.409 -9.643 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.298 -10.478 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.931 -10.395 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.453 -11.895 -3.631 1.00 0.00 H new ATOM 1419 N ASP A 90 0.366 -13.874 -5.981 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.823 -14.720 -6.052 1.00 0.00 C ATOM 1421 C ASP A 90 -2.051 -13.898 -6.432 1.00 0.00 C ATOM 1422 O ASP A 90 -2.820 -14.282 -7.312 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.080 -15.415 -4.710 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.042 -14.395 -3.576 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -2.048 -13.741 -3.360 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -0.007 -14.284 -2.941 1.00 0.00 O ATOM 0 H ASP A 90 0.757 -13.765 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.643 -15.474 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.049 -15.913 -4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.329 -16.186 -4.541 1.00 0.00 H new ATOM 1431 N THR A 91 -2.230 -12.760 -5.763 1.00 0.00 N ATOM 1432 CA THR A 91 -3.372 -11.900 -6.050 1.00 0.00 C ATOM 1433 C THR A 91 -2.968 -10.792 -7.023 1.00 0.00 C ATOM 1434 O THR A 91 -1.837 -10.305 -6.981 1.00 0.00 O ATOM 1435 CB THR A 91 -3.910 -11.269 -4.761 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.859 -11.170 -3.807 1.00 0.00 O ATOM 1437 CG2 THR A 91 -5.037 -12.139 -4.197 1.00 0.00 C ATOM 0 H THR A 91 -1.609 -12.418 -5.030 1.00 0.00 H new ATOM 0 HA THR A 91 -4.153 -12.513 -6.500 1.00 0.00 H new ATOM 0 HB THR A 91 -4.297 -10.273 -4.977 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.618 -12.066 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.419 -11.690 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.842 -12.211 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.653 -13.136 -3.980 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.882 -10.374 -7.908 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.595 -9.312 -8.882 1.00 0.00 C ATOM 1447 C PRO A 92 -3.478 -7.946 -8.215 1.00 0.00 C ATOM 1448 O PRO A 92 -2.541 -7.191 -8.473 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.787 -9.351 -9.835 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.896 -9.949 -9.041 1.00 0.00 C ATOM 1451 CD PRO A 92 -5.260 -10.880 -8.048 1.00 0.00 C ATOM 0 HA PRO A 92 -2.642 -9.468 -9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.046 -8.351 -10.184 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.567 -9.950 -10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.470 -9.174 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.589 -10.487 -9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.788 -10.866 -7.095 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.272 -11.910 -8.404 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.437 -7.642 -7.342 1.00 0.00 N ATOM 1460 CA GLN A 93 -4.427 -6.367 -6.629 1.00 0.00 C ATOM 1461 C GLN A 93 -3.137 -6.206 -5.819 1.00 0.00 C ATOM 1462 O GLN A 93 -2.724 -5.090 -5.505 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.636 -6.260 -5.691 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.610 -7.402 -4.669 1.00 0.00 C ATOM 1465 CD GLN A 93 -7.023 -7.940 -4.460 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.236 -9.152 -4.451 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -8.009 -7.102 -4.291 1.00 0.00 N ATOM 0 H GLN A 93 -5.221 -8.253 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.481 -5.572 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.623 -5.300 -5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.559 -6.299 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.955 -8.200 -5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.203 -7.046 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.832 -6.098 -4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.957 -7.451 -4.151 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.502 -7.331 -5.488 1.00 0.00 N ATOM 1477 CA HIS A 94 -1.260 -7.295 -4.723 1.00 0.00 C ATOM 1478 C HIS A 94 -0.113 -6.839 -5.618 1.00 0.00 C ATOM 1479 O HIS A 94 0.658 -5.949 -5.260 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.936 -8.681 -4.160 1.00 0.00 C ATOM 1481 CG HIS A 94 -0.030 -8.539 -2.969 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.217 -9.270 -1.806 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.074 -7.755 -2.745 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.751 -8.914 -0.943 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.566 -7.992 -1.465 1.00 0.00 N ATOM 0 H HIS A 94 -2.824 -8.267 -5.735 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.385 -6.594 -3.897 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.855 -9.192 -3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.456 -9.293 -4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.497 -7.059 -3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.857 -9.323 0.051 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.374 -7.556 -1.021 1.00 0.00 H new ATOM 1493 N SER A 95 -0.015 -7.463 -6.794 1.00 0.00 N ATOM 1494 CA SER A 95 1.035 -7.126 -7.763 1.00 0.00 C ATOM 1495 C SER A 95 1.138 -5.613 -7.980 1.00 0.00 C ATOM 1496 O SER A 95 2.200 -5.094 -8.326 1.00 0.00 O ATOM 1497 CB SER A 95 0.750 -7.798 -9.106 1.00 0.00 C ATOM 1498 OG SER A 95 -0.343 -7.142 -9.737 1.00 0.00 O ATOM 0 H SER A 95 -0.647 -8.203 -7.100 1.00 0.00 H new ATOM 0 HA SER A 95 1.979 -7.486 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.633 -7.753 -9.743 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.519 -8.853 -8.956 1.00 0.00 H new ATOM 0 HG SER A 95 -1.037 -6.950 -9.072 1.00 0.00 H new ATOM 1504 N SER A 96 0.021 -4.914 -7.781 1.00 0.00 N ATOM 1505 CA SER A 96 -0.006 -3.462 -7.964 1.00 0.00 C ATOM 1506 C SER A 96 1.034 -2.779 -7.076 1.00 0.00 C ATOM 1507 O SER A 96 1.908 -2.060 -7.560 1.00 0.00 O ATOM 1508 CB SER A 96 -1.392 -2.904 -7.631 1.00 0.00 C ATOM 1509 OG SER A 96 -1.612 -2.990 -6.230 1.00 0.00 O ATOM 0 H SER A 96 -0.869 -5.324 -7.496 1.00 0.00 H new ATOM 0 HA SER A 96 0.228 -3.258 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.467 -1.867 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.159 -3.464 -8.166 1.00 0.00 H new ATOM 0 HG SER A 96 -2.365 -3.592 -6.053 1.00 0.00 H new ATOM 1515 N ALA A 97 0.929 -3.013 -5.770 1.00 0.00 N ATOM 1516 CA ALA A 97 1.865 -2.416 -4.818 1.00 0.00 C ATOM 1517 C ALA A 97 3.298 -2.841 -5.131 1.00 0.00 C ATOM 1518 O ALA A 97 4.247 -2.089 -4.910 1.00 0.00 O ATOM 1519 CB ALA A 97 1.519 -2.843 -3.390 1.00 0.00 C ATOM 0 H ALA A 97 0.213 -3.605 -5.349 1.00 0.00 H new ATOM 0 HA ALA A 97 1.784 -1.332 -4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.225 -2.390 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.508 -2.515 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.577 -3.929 -3.311 1.00 0.00 H new ATOM 1525 N ASP A 98 3.442 -4.059 -5.647 1.00 0.00 N ATOM 1526 CA ASP A 98 4.763 -4.583 -5.986 1.00 0.00 C ATOM 1527 C ASP A 98 5.441 -3.703 -7.034 1.00 0.00 C ATOM 1528 O ASP A 98 6.640 -3.440 -6.961 1.00 0.00 O ATOM 1529 CB ASP A 98 4.652 -6.010 -6.531 1.00 0.00 C ATOM 1530 CG ASP A 98 4.753 -7.003 -5.378 1.00 0.00 C ATOM 1531 OD1 ASP A 98 5.866 -7.347 -5.014 1.00 0.00 O ATOM 1532 OD2 ASP A 98 3.717 -7.405 -4.875 1.00 0.00 O ATOM 0 H ASP A 98 2.669 -4.696 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 98 5.362 -4.587 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.704 -6.138 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.444 -6.197 -7.256 1.00 0.00 H new ATOM 1537 N PHE A 99 4.658 -3.249 -8.012 1.00 0.00 N ATOM 1538 CA PHE A 99 5.201 -2.398 -9.069 1.00 0.00 C ATOM 1539 C PHE A 99 5.725 -1.092 -8.482 1.00 0.00 C ATOM 1540 O PHE A 99 6.926 -0.824 -8.500 1.00 0.00 O ATOM 1541 CB PHE A 99 4.130 -2.081 -10.120 1.00 0.00 C ATOM 1542 CG PHE A 99 3.464 -3.356 -10.592 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.237 -4.466 -10.961 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.068 -3.426 -10.660 1.00 0.00 C ATOM 1545 CE1 PHE A 99 3.613 -5.641 -11.396 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.445 -4.601 -11.095 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.217 -5.708 -11.463 1.00 0.00 C ATOM 0 H PHE A 99 3.662 -3.452 -8.094 1.00 0.00 H new ATOM 0 HA PHE A 99 6.018 -2.939 -9.545 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.384 -1.408 -9.697 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.583 -1.564 -10.966 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.315 -4.414 -10.910 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.471 -2.572 -10.376 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.209 -6.496 -11.680 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.368 -4.653 -11.147 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.735 -6.614 -11.799 1.00 0.00 H new ATOM 1557 N PHE A 100 4.810 -0.284 -7.957 1.00 0.00 N ATOM 1558 CA PHE A 100 5.193 0.993 -7.361 1.00 0.00 C ATOM 1559 C PHE A 100 6.041 0.755 -6.117 1.00 0.00 C ATOM 1560 O PHE A 100 6.304 -0.387 -5.739 1.00 0.00 O ATOM 1561 CB PHE A 100 3.952 1.798 -6.974 1.00 0.00 C ATOM 1562 CG PHE A 100 3.383 2.464 -8.203 1.00 0.00 C ATOM 1563 CD1 PHE A 100 4.106 3.474 -8.850 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.133 2.073 -8.696 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.579 4.090 -9.991 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.606 2.689 -9.837 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.329 3.699 -10.484 1.00 0.00 C ATOM 0 H PHE A 100 3.810 -0.486 -7.931 1.00 0.00 H new ATOM 0 HA PHE A 100 5.769 1.554 -8.097 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.206 1.143 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.210 2.548 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.070 3.777 -8.469 1.00 0.00 H new ATOM 0 HD2 PHE A 100 1.575 1.296 -8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.137 4.867 -10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.642 2.386 -10.218 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.922 4.176 -11.363 1.00 0.00 H new ATOM 1577 N LYS A 101 6.467 1.847 -5.480 1.00 0.00 N ATOM 1578 CA LYS A 101 7.292 1.758 -4.268 1.00 0.00 C ATOM 1579 C LYS A 101 8.695 1.256 -4.606 1.00 0.00 C ATOM 1580 O LYS A 101 9.680 1.971 -4.436 1.00 0.00 O ATOM 1581 CB LYS A 101 6.664 0.816 -3.229 1.00 0.00 C ATOM 1582 CG LYS A 101 5.174 1.131 -3.071 1.00 0.00 C ATOM 1583 CD LYS A 101 5.005 2.486 -2.383 1.00 0.00 C ATOM 1584 CE LYS A 101 3.724 3.158 -2.884 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.957 3.906 -4.155 1.00 0.00 N ATOM 0 H LYS A 101 6.257 2.799 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 101 7.351 2.761 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.794 -0.221 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.172 0.928 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.690 1.145 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.688 0.351 -2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.960 2.354 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.866 3.121 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.954 2.403 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.349 3.842 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.981 4.927 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.865 3.612 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.188 3.701 -4.825 1.00 0.00 H new ATOM 1599 N CYS A 102 8.774 0.011 -5.083 1.00 0.00 N ATOM 1600 CA CYS A 102 10.060 -0.602 -5.443 1.00 0.00 C ATOM 1601 C CYS A 102 10.935 0.351 -6.262 1.00 0.00 C ATOM 1602 O CYS A 102 12.065 0.659 -5.884 1.00 0.00 O ATOM 1603 CB CYS A 102 9.825 -1.874 -6.260 1.00 0.00 C ATOM 1604 SG CYS A 102 11.272 -2.951 -6.132 1.00 0.00 S ATOM 0 H CYS A 102 7.965 -0.593 -5.230 1.00 0.00 H new ATOM 0 HA CYS A 102 10.577 -0.837 -4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.939 -2.394 -5.896 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.639 -1.619 -7.303 1.00 0.00 H new ATOM 1609 N VAL A 103 10.398 0.810 -7.389 1.00 0.00 N ATOM 1610 CA VAL A 103 11.137 1.724 -8.260 1.00 0.00 C ATOM 1611 C VAL A 103 11.513 3.008 -7.518 1.00 0.00 C ATOM 1612 O VAL A 103 12.471 3.689 -7.885 1.00 0.00 O ATOM 1613 CB VAL A 103 10.301 2.085 -9.488 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.076 0.832 -10.338 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.947 2.643 -9.040 1.00 0.00 C ATOM 0 H VAL A 103 9.464 0.568 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 103 12.048 1.215 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 103 10.828 2.836 -10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.480 1.089 -11.214 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.038 0.432 -10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.550 0.082 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.352 2.900 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.421 1.892 -8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.104 3.535 -8.433 1.00 0.00 H new ATOM 1625 N HIS A 104 10.752 3.336 -6.474 1.00 0.00 N ATOM 1626 CA HIS A 104 11.025 4.545 -5.700 1.00 0.00 C ATOM 1627 C HIS A 104 12.087 4.274 -4.638 1.00 0.00 C ATOM 1628 O HIS A 104 13.099 4.970 -4.559 1.00 0.00 O ATOM 1629 CB HIS A 104 9.750 5.039 -5.013 1.00 0.00 C ATOM 1630 CG HIS A 104 8.971 5.908 -5.963 1.00 0.00 C ATOM 1631 ND1 HIS A 104 9.017 5.728 -7.337 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.124 6.967 -5.752 1.00 0.00 C ATOM 1633 CE1 HIS A 104 8.219 6.657 -7.894 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.651 7.439 -6.973 1.00 0.00 N ATOM 0 H HIS A 104 9.954 2.791 -6.149 1.00 0.00 H new ATOM 0 HA HIS A 104 11.388 5.308 -6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.142 4.191 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.003 5.601 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.864 7.373 -4.785 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.058 6.758 -8.957 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.009 8.215 -7.130 1.00 0.00 H new ATOM 1642 N ASP A 105 11.843 3.253 -3.821 1.00 0.00 N ATOM 1643 CA ASP A 105 12.784 2.891 -2.762 1.00 0.00 C ATOM 1644 C ASP A 105 13.836 1.919 -3.295 1.00 0.00 C ATOM 1645 O ASP A 105 14.017 0.818 -2.770 1.00 0.00 O ATOM 1646 CB ASP A 105 12.039 2.247 -1.589 1.00 0.00 C ATOM 1647 CG ASP A 105 12.939 2.235 -0.358 1.00 0.00 C ATOM 1648 OD1 ASP A 105 13.944 1.544 -0.390 1.00 0.00 O ATOM 1649 OD2 ASP A 105 12.610 2.915 0.599 1.00 0.00 O ATOM 0 H ASP A 105 11.010 2.666 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 105 13.280 3.799 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.124 2.801 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.744 1.230 -1.847 1.00 0.00 H new