USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 461 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 39 CYS SG : rot 25:sc= -21.9! USER MOD Set 1.2: A 49 CYS SG : rot -70:sc= -24.4! USER MOD Set 2.1: A 21 CYS SG : rot 117:sc= -18.6! USER MOD Set 2.2: A 38 CYS SG : rot -98:sc= -27.9! USER MOD Single : A 13 SER OG : rot -174:sc= 0.66 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc=-0.00313 F(o=-0.69,f=-0.0031) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= -0.0152 (180deg=-0.153) USER MOD Single : A 65 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.6) USER MOD ----------------------------------------------------------------- ATOM 170 N ARG A 12 -3.903 -3.393 -27.231 1.00 73.25 N ATOM 171 CA ARG A 12 -3.833 -4.164 -28.467 1.00 33.11 C ATOM 172 C ARG A 12 -4.087 -3.273 -29.679 1.00 53.21 C ATOM 173 O ARG A 12 -5.075 -3.445 -30.393 1.00 70.40 O ATOM 174 CB ARG A 12 -4.850 -5.307 -28.439 1.00 12.45 C ATOM 175 CG ARG A 12 -6.258 -4.860 -28.080 1.00 52.12 C ATOM 176 CD ARG A 12 -7.295 -5.881 -28.519 1.00 75.54 C ATOM 177 NE ARG A 12 -8.658 -5.376 -28.373 1.00 22.02 N ATOM 178 CZ ARG A 12 -9.735 -6.037 -28.782 1.00 21.23 C ATOM 179 NH1 ARG A 12 -9.609 -7.224 -29.359 1.00 21.23 N ATOM 180 NH2 ARG A 12 -10.941 -5.511 -28.613 1.00 74.31 N ATOM 0 HA ARG A 12 -2.829 -4.582 -28.548 1.00 33.11 H new ATOM 0 HB2 ARG A 12 -4.869 -5.789 -29.416 1.00 12.45 H new ATOM 0 HB3 ARG A 12 -4.521 -6.057 -27.720 1.00 12.45 H new ATOM 0 HG2 ARG A 12 -6.329 -4.708 -27.003 1.00 52.12 H new ATOM 0 HG3 ARG A 12 -6.468 -3.900 -28.552 1.00 52.12 H new ATOM 0 HD2 ARG A 12 -7.119 -6.152 -29.560 1.00 75.54 H new ATOM 0 HD3 ARG A 12 -7.180 -6.790 -27.929 1.00 75.54 H new ATOM 0 HE ARG A 12 -8.790 -4.465 -27.933 1.00 22.02 H new ATOM 0 HH11 ARG A 12 -8.683 -7.632 -29.490 1.00 21.23 H new ATOM 0 HH12 ARG A 12 -10.438 -7.729 -29.672 1.00 21.23 H new ATOM 0 HH21 ARG A 12 -11.042 -4.598 -28.169 1.00 74.31 H new ATOM 0 HH22 ARG A 12 -11.768 -6.019 -28.927 1.00 74.31 H new ATOM 194 N SER A 13 -3.189 -2.319 -29.905 1.00 31.25 N ATOM 195 CA SER A 13 -3.318 -1.398 -31.027 1.00 50.24 C ATOM 196 C SER A 13 -2.000 -1.278 -31.786 1.00 4.22 C ATOM 197 O SER A 13 -1.036 -1.986 -31.494 1.00 73.51 O ATOM 198 CB SER A 13 -3.763 -0.020 -30.535 1.00 54.50 C ATOM 199 OG SER A 13 -4.666 0.581 -31.447 1.00 73.25 O ATOM 0 H SER A 13 -2.364 -2.164 -29.325 1.00 31.25 H new ATOM 0 HA SER A 13 -4.073 -1.795 -31.705 1.00 50.24 H new ATOM 0 HB2 SER A 13 -4.237 -0.115 -29.558 1.00 54.50 H new ATOM 0 HB3 SER A 13 -2.892 0.622 -30.405 1.00 54.50 H new ATOM 0 HG SER A 13 -4.862 1.497 -31.158 1.00 73.25 H new ATOM 205 N SER A 14 -1.965 -0.375 -32.761 1.00 31.30 N ATOM 206 CA SER A 14 -0.767 -0.164 -33.565 1.00 11.11 C ATOM 207 C SER A 14 -0.356 1.305 -33.551 1.00 4.23 C ATOM 208 O SER A 14 0.185 1.821 -34.530 1.00 34.43 O ATOM 209 CB SER A 14 -1.005 -0.625 -35.004 1.00 51.31 C ATOM 210 OG SER A 14 -0.816 -2.023 -35.130 1.00 22.53 O ATOM 0 H SER A 14 -2.753 0.222 -33.013 1.00 31.30 H new ATOM 0 HA SER A 14 0.041 -0.754 -33.131 1.00 11.11 H new ATOM 0 HB2 SER A 14 -2.018 -0.363 -35.310 1.00 51.31 H new ATOM 0 HB3 SER A 14 -0.324 -0.101 -35.674 1.00 51.31 H new ATOM 0 HG SER A 14 -0.976 -2.292 -36.059 1.00 22.53 H new ATOM 216 N LYS A 15 -0.615 1.975 -32.433 1.00 32.11 N ATOM 217 CA LYS A 15 -0.272 3.385 -32.288 1.00 21.43 C ATOM 218 C LYS A 15 1.241 3.575 -32.249 1.00 70.03 C ATOM 219 O LYS A 15 1.967 2.743 -31.704 1.00 72.34 O ATOM 220 CB LYS A 15 -0.901 3.955 -31.015 1.00 0.42 C ATOM 221 CG LYS A 15 -0.163 3.568 -29.745 1.00 71.21 C ATOM 222 CD LYS A 15 -0.496 2.148 -29.318 1.00 64.23 C ATOM 223 CE LYS A 15 0.636 1.187 -29.649 1.00 22.02 C ATOM 224 NZ LYS A 15 0.755 0.101 -28.637 1.00 60.21 N ATOM 0 H LYS A 15 -1.062 1.564 -31.613 1.00 32.11 H new ATOM 0 HA LYS A 15 -0.666 3.920 -33.152 1.00 21.43 H new ATOM 0 HB2 LYS A 15 -0.932 5.042 -31.090 1.00 0.42 H new ATOM 0 HB3 LYS A 15 -1.933 3.611 -30.944 1.00 0.42 H new ATOM 0 HG2 LYS A 15 0.911 3.658 -29.905 1.00 71.21 H new ATOM 0 HG3 LYS A 15 -0.425 4.261 -28.945 1.00 71.21 H new ATOM 0 HD2 LYS A 15 -0.692 2.126 -28.246 1.00 64.23 H new ATOM 0 HD3 LYS A 15 -1.409 1.822 -29.816 1.00 64.23 H new ATOM 0 HE2 LYS A 15 0.465 0.750 -30.633 1.00 22.02 H new ATOM 0 HE3 LYS A 15 1.575 1.737 -29.703 1.00 22.02 H new ATOM 0 HZ1 LYS A 15 1.537 -0.533 -28.898 1.00 60.21 H new ATOM 0 HZ2 LYS A 15 0.943 0.517 -27.702 1.00 60.21 H new ATOM 0 HZ3 LYS A 15 -0.132 -0.440 -28.603 1.00 60.21 H new ATOM 238 N ILE A 16 1.709 4.675 -32.829 1.00 62.01 N ATOM 239 CA ILE A 16 3.135 4.975 -32.858 1.00 64.31 C ATOM 240 C ILE A 16 3.387 6.405 -33.322 1.00 1.40 C ATOM 241 O ILE A 16 2.475 7.085 -33.794 1.00 61.10 O ATOM 242 CB ILE A 16 3.896 4.006 -33.783 1.00 34.11 C ATOM 243 CG1 ILE A 16 2.942 3.392 -34.809 1.00 75.24 C ATOM 244 CG2 ILE A 16 4.575 2.917 -32.966 1.00 2.32 C ATOM 245 CD1 ILE A 16 3.648 2.654 -35.925 1.00 32.41 C ATOM 0 H ILE A 16 1.122 5.373 -33.285 1.00 62.01 H new ATOM 0 HA ILE A 16 3.503 4.856 -31.839 1.00 64.31 H new ATOM 0 HB ILE A 16 4.664 4.565 -34.317 1.00 34.11 H new ATOM 0 HG12 ILE A 16 2.267 2.704 -34.299 1.00 75.24 H new ATOM 0 HG13 ILE A 16 2.327 4.182 -35.239 1.00 75.24 H new ATOM 0 HG21 ILE A 16 5.108 2.240 -33.634 1.00 2.32 H new ATOM 0 HG22 ILE A 16 5.280 3.371 -32.270 1.00 2.32 H new ATOM 0 HG23 ILE A 16 3.823 2.358 -32.408 1.00 2.32 H new ATOM 0 HD11 ILE A 16 2.910 2.245 -36.615 1.00 32.41 H new ATOM 0 HD12 ILE A 16 4.302 3.343 -36.460 1.00 32.41 H new ATOM 0 HD13 ILE A 16 4.242 1.842 -35.506 1.00 32.41 H new ATOM 257 N ILE A 17 4.630 6.856 -33.186 1.00 72.40 N ATOM 258 CA ILE A 17 5.002 8.204 -33.594 1.00 50.50 C ATOM 259 C ILE A 17 6.058 8.174 -34.693 1.00 43.54 C ATOM 260 O ILE A 17 6.692 7.146 -34.933 1.00 22.22 O ATOM 261 CB ILE A 17 5.537 9.025 -32.405 1.00 64.45 C ATOM 262 CG1 ILE A 17 6.783 8.358 -31.818 1.00 11.13 C ATOM 263 CG2 ILE A 17 4.461 9.180 -31.342 1.00 1.04 C ATOM 264 CD1 ILE A 17 6.472 7.328 -30.754 1.00 42.31 C ATOM 0 H ILE A 17 5.396 6.307 -32.796 1.00 72.40 H new ATOM 0 HA ILE A 17 4.098 8.679 -33.975 1.00 50.50 H new ATOM 0 HB ILE A 17 5.813 10.018 -32.761 1.00 64.45 H new ATOM 0 HG12 ILE A 17 7.343 7.880 -32.622 1.00 11.13 H new ATOM 0 HG13 ILE A 17 7.429 9.125 -31.392 1.00 11.13 H new ATOM 0 HG21 ILE A 17 4.854 9.762 -30.509 1.00 1.04 H new ATOM 0 HG22 ILE A 17 3.599 9.693 -31.769 1.00 1.04 H new ATOM 0 HG23 ILE A 17 4.157 8.196 -30.986 1.00 1.04 H new ATOM 0 HD11 ILE A 17 7.401 6.896 -30.383 1.00 42.31 H new ATOM 0 HD12 ILE A 17 5.939 7.804 -29.931 1.00 42.31 H new ATOM 0 HD13 ILE A 17 5.851 6.540 -31.181 1.00 42.31 H new ATOM 276 N LEU A 18 6.244 9.309 -35.359 1.00 2.35 N ATOM 277 CA LEU A 18 7.226 9.415 -36.432 1.00 70.44 C ATOM 278 C LEU A 18 8.191 10.568 -36.177 1.00 54.31 C ATOM 279 O LEU A 18 7.840 11.742 -36.300 1.00 15.05 O ATOM 280 CB LEU A 18 6.522 9.611 -37.776 1.00 40.32 C ATOM 281 CG LEU A 18 7.363 9.329 -39.022 1.00 34.01 C ATOM 282 CD1 LEU A 18 6.491 9.344 -40.268 1.00 64.04 C ATOM 283 CD2 LEU A 18 8.491 10.343 -39.145 1.00 74.11 C ATOM 0 H LEU A 18 5.727 10.169 -35.174 1.00 2.35 H new ATOM 0 HA LEU A 18 7.798 8.488 -36.460 1.00 70.44 H new ATOM 0 HB2 LEU A 18 5.644 8.966 -37.801 1.00 40.32 H new ATOM 0 HB3 LEU A 18 6.164 10.639 -37.829 1.00 40.32 H new ATOM 0 HG LEU A 18 7.803 8.337 -38.924 1.00 34.01 H new ATOM 0 HD11 LEU A 18 7.106 9.142 -41.145 1.00 64.04 H new ATOM 0 HD12 LEU A 18 5.719 8.579 -40.181 1.00 64.04 H new ATOM 0 HD13 LEU A 18 6.022 10.322 -40.372 1.00 64.04 H new ATOM 0 HD21 LEU A 18 9.079 10.127 -40.037 1.00 74.11 H new ATOM 0 HD22 LEU A 18 8.072 11.346 -39.221 1.00 74.11 H new ATOM 0 HD23 LEU A 18 9.132 10.283 -38.265 1.00 74.11 H new ATOM 295 N PRO A 19 9.437 10.229 -35.816 1.00 11.04 N ATOM 296 CA PRO A 19 10.479 11.222 -35.538 1.00 52.24 C ATOM 297 C PRO A 19 10.937 11.949 -36.798 1.00 70.23 C ATOM 298 O PRO A 19 10.959 11.372 -37.885 1.00 44.22 O ATOM 299 CB PRO A 19 11.622 10.385 -34.958 1.00 55.04 C ATOM 300 CG PRO A 19 11.413 9.020 -35.518 1.00 42.21 C ATOM 301 CD PRO A 19 9.925 8.850 -35.650 1.00 60.42 C ATOM 0 HA PRO A 19 10.126 12.007 -34.869 1.00 52.24 H new ATOM 0 HB2 PRO A 19 12.593 10.787 -35.247 1.00 55.04 H new ATOM 0 HB3 PRO A 19 11.592 10.375 -33.868 1.00 55.04 H new ATOM 0 HG2 PRO A 19 11.905 8.915 -36.485 1.00 42.21 H new ATOM 0 HG3 PRO A 19 11.836 8.260 -34.861 1.00 42.21 H new ATOM 0 HD2 PRO A 19 9.666 8.227 -36.506 1.00 60.42 H new ATOM 0 HD3 PRO A 19 9.495 8.375 -34.768 1.00 60.42 H new ATOM 309 N ALA A 20 11.302 13.217 -36.645 1.00 1.45 N ATOM 310 CA ALA A 20 11.762 14.022 -37.770 1.00 23.43 C ATOM 311 C ALA A 20 12.147 15.427 -37.319 1.00 63.42 C ATOM 312 O ALA A 20 13.328 15.736 -37.158 1.00 2.22 O ATOM 313 CB ALA A 20 10.689 14.086 -38.846 1.00 50.03 C ATOM 0 H ALA A 20 11.288 13.710 -35.752 1.00 1.45 H new ATOM 0 HA ALA A 20 12.650 13.547 -38.186 1.00 23.43 H new ATOM 0 HB1 ALA A 20 11.046 14.690 -39.680 1.00 50.03 H new ATOM 0 HB2 ALA A 20 10.465 13.079 -39.197 1.00 50.03 H new ATOM 0 HB3 ALA A 20 9.786 14.535 -38.433 1.00 50.03 H new ATOM 319 N CYS A 21 11.144 16.274 -37.118 1.00 51.32 N ATOM 320 CA CYS A 21 11.377 17.647 -36.687 1.00 52.43 C ATOM 321 C CYS A 21 10.452 18.019 -35.532 1.00 55.43 C ATOM 322 O CYS A 21 10.853 18.720 -34.603 1.00 74.33 O ATOM 323 CB CYS A 21 11.166 18.613 -37.855 1.00 44.12 C ATOM 324 SG CYS A 21 9.528 18.483 -38.642 1.00 25.11 S ATOM 0 H CYS A 21 10.161 16.034 -37.247 1.00 51.32 H new ATOM 0 HA CYS A 21 12.408 17.723 -36.343 1.00 52.43 H new ATOM 0 HB2 CYS A 21 11.306 19.633 -37.498 1.00 44.12 H new ATOM 0 HB3 CYS A 21 11.934 18.430 -38.607 1.00 44.12 H new ATOM 0 HG CYS A 21 8.885 19.603 -38.494 1.00 25.11 H new ATOM 329 N MET A 22 9.212 17.545 -35.598 1.00 53.33 N ATOM 330 CA MET A 22 8.230 17.827 -34.557 1.00 71.25 C ATOM 331 C MET A 22 7.725 16.535 -33.923 1.00 33.11 C ATOM 332 O MET A 22 8.272 15.458 -34.163 1.00 51.23 O ATOM 333 CB MET A 22 7.055 18.618 -35.135 1.00 40.24 C ATOM 334 CG MET A 22 6.846 19.969 -34.470 1.00 45.14 C ATOM 335 SD MET A 22 5.279 20.734 -34.929 1.00 5.34 S ATOM 336 CE MET A 22 4.863 21.588 -33.410 1.00 72.01 C ATOM 0 H MET A 22 8.864 16.964 -36.361 1.00 53.33 H new ATOM 0 HA MET A 22 8.716 18.424 -33.786 1.00 71.25 H new ATOM 0 HB2 MET A 22 7.219 18.769 -36.202 1.00 40.24 H new ATOM 0 HB3 MET A 22 6.145 18.027 -35.033 1.00 40.24 H new ATOM 0 HG2 MET A 22 6.883 19.846 -33.388 1.00 45.14 H new ATOM 0 HG3 MET A 22 7.665 20.635 -34.743 1.00 45.14 H new ATOM 0 HE1 MET A 22 3.915 22.111 -33.535 1.00 72.01 H new ATOM 0 HE2 MET A 22 4.774 20.865 -32.599 1.00 72.01 H new ATOM 0 HE3 MET A 22 5.646 22.308 -33.171 1.00 72.01 H new ATOM 346 N HIS A 23 6.678 16.649 -33.111 1.00 41.24 N ATOM 347 CA HIS A 23 6.099 15.489 -32.442 1.00 43.44 C ATOM 348 C HIS A 23 4.785 15.082 -33.101 1.00 70.15 C ATOM 349 O HIS A 23 3.779 15.780 -32.983 1.00 34.11 O ATOM 350 CB HIS A 23 5.869 15.791 -30.961 1.00 54.13 C ATOM 351 CG HIS A 23 7.104 15.664 -30.125 1.00 3.23 C ATOM 352 ND1 HIS A 23 7.147 14.944 -28.950 1.00 11.05 N ATOM 353 CD2 HIS A 23 8.348 16.169 -30.300 1.00 12.42 C ATOM 354 CE1 HIS A 23 8.363 15.013 -28.437 1.00 55.21 C ATOM 355 NE2 HIS A 23 9.111 15.751 -29.238 1.00 32.33 N ATOM 0 H HIS A 23 6.214 17.532 -32.901 1.00 41.24 H new ATOM 0 HA HIS A 23 6.801 14.660 -32.531 1.00 43.44 H new ATOM 0 HB2 HIS A 23 5.476 16.803 -30.862 1.00 54.13 H new ATOM 0 HB3 HIS A 23 5.107 15.114 -30.575 1.00 54.13 H new ATOM 0 HD2 HIS A 23 8.679 16.786 -31.122 1.00 12.42 H new ATOM 0 HE1 HIS A 23 8.690 14.546 -27.520 1.00 55.21 H new ATOM 0 HE2 HIS A 23 10.095 15.974 -29.091 1.00 32.33 H new ATOM 363 N GLU A 24 4.803 13.949 -33.796 1.00 62.41 N ATOM 364 CA GLU A 24 3.613 13.450 -34.475 1.00 13.40 C ATOM 365 C GLU A 24 3.250 12.053 -33.981 1.00 71.35 C ATOM 366 O GLU A 24 4.055 11.380 -33.336 1.00 42.35 O ATOM 367 CB GLU A 24 3.834 13.427 -35.989 1.00 11.12 C ATOM 368 CG GLU A 24 5.128 12.748 -36.405 1.00 31.14 C ATOM 369 CD GLU A 24 5.498 13.030 -37.848 1.00 14.52 C ATOM 370 OE1 GLU A 24 4.838 12.474 -38.750 1.00 34.12 O ATOM 371 OE2 GLU A 24 6.448 13.809 -38.075 1.00 15.03 O ATOM 0 H GLU A 24 5.628 13.359 -33.904 1.00 62.41 H new ATOM 0 HA GLU A 24 2.787 14.123 -34.246 1.00 13.40 H new ATOM 0 HB2 GLU A 24 2.996 12.915 -36.462 1.00 11.12 H new ATOM 0 HB3 GLU A 24 3.834 14.451 -36.363 1.00 11.12 H new ATOM 0 HG2 GLU A 24 5.936 13.084 -35.755 1.00 31.14 H new ATOM 0 HG3 GLU A 24 5.031 11.672 -36.263 1.00 31.14 H new ATOM 378 N THR A 25 2.031 11.621 -34.289 1.00 34.13 N ATOM 379 CA THR A 25 1.559 10.305 -33.876 1.00 1.11 C ATOM 380 C THR A 25 0.480 9.787 -34.820 1.00 22.42 C ATOM 381 O THR A 25 -0.076 10.541 -35.618 1.00 44.34 O ATOM 382 CB THR A 25 1.000 10.334 -32.441 1.00 74.51 C ATOM 383 OG1 THR A 25 1.745 11.259 -31.643 1.00 1.42 O ATOM 384 CG2 THR A 25 1.058 8.951 -31.810 1.00 73.41 C ATOM 0 H THR A 25 1.352 12.164 -34.823 1.00 34.13 H new ATOM 0 HA THR A 25 2.419 9.636 -33.909 1.00 1.11 H new ATOM 0 HB THR A 25 -0.042 10.652 -32.487 1.00 74.51 H new ATOM 0 HG1 THR A 25 1.382 11.272 -30.733 1.00 1.42 H new ATOM 0 HG21 THR A 25 0.658 8.996 -30.797 1.00 73.41 H new ATOM 0 HG22 THR A 25 0.465 8.255 -32.404 1.00 73.41 H new ATOM 0 HG23 THR A 25 2.093 8.609 -31.777 1.00 73.41 H new ATOM 392 N CYS A 26 0.187 8.494 -34.723 1.00 3.11 N ATOM 393 CA CYS A 26 -0.826 7.874 -35.568 1.00 22.31 C ATOM 394 C CYS A 26 -1.399 6.626 -34.903 1.00 32.24 C ATOM 395 O CYS A 26 -0.690 5.900 -34.205 1.00 54.22 O ATOM 396 CB CYS A 26 -0.232 7.511 -36.930 1.00 45.33 C ATOM 397 SG CYS A 26 -1.414 7.627 -38.312 1.00 25.14 S ATOM 0 H CYS A 26 0.637 7.856 -34.067 1.00 3.11 H new ATOM 0 HA CYS A 26 -1.633 8.592 -35.711 1.00 22.31 H new ATOM 0 HB2 CYS A 26 0.613 8.169 -37.133 1.00 45.33 H new ATOM 0 HB3 CYS A 26 0.159 6.495 -36.885 1.00 45.33 H new ATOM 402 N SER A 27 -2.687 6.383 -35.124 1.00 31.31 N ATOM 403 CA SER A 27 -3.357 5.225 -34.543 1.00 73.15 C ATOM 404 C SER A 27 -4.714 4.996 -35.202 1.00 71.34 C ATOM 405 O SER A 27 -5.526 5.914 -35.314 1.00 23.51 O ATOM 406 CB SER A 27 -3.535 5.415 -33.036 1.00 33.11 C ATOM 407 OG SER A 27 -4.571 4.586 -32.536 1.00 44.22 O ATOM 0 H SER A 27 -3.287 6.972 -35.701 1.00 31.31 H new ATOM 0 HA SER A 27 -2.734 4.349 -34.720 1.00 73.15 H new ATOM 0 HB2 SER A 27 -2.601 5.184 -32.524 1.00 33.11 H new ATOM 0 HB3 SER A 27 -3.765 6.459 -32.823 1.00 33.11 H new ATOM 0 HG SER A 27 -4.664 4.725 -31.570 1.00 44.22 H new ATOM 413 N GLY A 28 -4.953 3.762 -35.638 1.00 43.32 N ATOM 414 CA GLY A 28 -6.211 3.433 -36.281 1.00 14.20 C ATOM 415 C GLY A 28 -6.654 2.012 -35.996 1.00 23.41 C ATOM 416 O GLY A 28 -6.838 1.215 -36.915 1.00 42.23 O ATOM 0 H GLY A 28 -4.297 2.985 -35.557 1.00 43.32 H new ATOM 0 HA2 GLY A 28 -6.981 4.125 -35.941 1.00 14.20 H new ATOM 0 HA3 GLY A 28 -6.112 3.570 -37.358 1.00 14.20 H new ATOM 420 N GLY A 29 -6.823 1.691 -34.717 1.00 14.44 N ATOM 421 CA GLY A 29 -7.244 0.356 -34.336 1.00 24.53 C ATOM 422 C GLY A 29 -8.080 0.349 -33.072 1.00 12.23 C ATOM 423 O GLY A 29 -9.279 0.073 -33.113 1.00 53.15 O ATOM 0 H GLY A 29 -6.676 2.332 -33.938 1.00 14.44 H new ATOM 0 HA2 GLY A 29 -7.818 -0.086 -35.150 1.00 24.53 H new ATOM 0 HA3 GLY A 29 -6.364 -0.271 -34.189 1.00 24.53 H new ATOM 427 N PHE A 30 -7.447 0.653 -31.943 1.00 61.44 N ATOM 428 CA PHE A 30 -8.140 0.678 -30.661 1.00 12.12 C ATOM 429 C PHE A 30 -8.423 2.113 -30.224 1.00 21.52 C ATOM 430 O PHE A 30 -9.574 2.549 -30.195 1.00 64.14 O ATOM 431 CB PHE A 30 -7.310 -0.038 -29.594 1.00 4.33 C ATOM 432 CG PHE A 30 -7.837 0.148 -28.199 1.00 65.24 C ATOM 433 CD1 PHE A 30 -9.086 -0.337 -27.847 1.00 4.35 C ATOM 434 CD2 PHE A 30 -7.083 0.807 -27.242 1.00 2.41 C ATOM 435 CE1 PHE A 30 -9.573 -0.168 -26.564 1.00 74.02 C ATOM 436 CE2 PHE A 30 -7.565 0.979 -25.958 1.00 72.31 C ATOM 437 CZ PHE A 30 -8.812 0.492 -25.619 1.00 74.52 C ATOM 0 H PHE A 30 -6.455 0.885 -31.891 1.00 61.44 H new ATOM 0 HA PHE A 30 -9.091 0.159 -30.780 1.00 12.12 H new ATOM 0 HB2 PHE A 30 -7.279 -1.103 -29.823 1.00 4.33 H new ATOM 0 HB3 PHE A 30 -6.284 0.327 -29.638 1.00 4.33 H new ATOM 0 HD1 PHE A 30 -9.686 -0.853 -28.583 1.00 4.35 H new ATOM 0 HD2 PHE A 30 -6.108 1.191 -27.502 1.00 2.41 H new ATOM 0 HE1 PHE A 30 -10.548 -0.552 -26.301 1.00 74.02 H new ATOM 0 HE2 PHE A 30 -6.967 1.494 -25.221 1.00 72.31 H new ATOM 0 HZ PHE A 30 -9.191 0.627 -24.617 1.00 74.52 H new ATOM 447 N SER A 31 -7.364 2.841 -29.883 1.00 72.43 N ATOM 448 CA SER A 31 -7.498 4.224 -29.443 1.00 43.43 C ATOM 449 C SER A 31 -7.912 5.126 -30.603 1.00 30.54 C ATOM 450 O SER A 31 -8.703 6.054 -30.431 1.00 32.12 O ATOM 451 CB SER A 31 -6.181 4.720 -28.843 1.00 2.03 C ATOM 452 OG SER A 31 -6.117 4.442 -27.455 1.00 2.14 O ATOM 0 H SER A 31 -6.404 2.496 -29.903 1.00 72.43 H new ATOM 0 HA SER A 31 -8.275 4.263 -28.680 1.00 43.43 H new ATOM 0 HB2 SER A 31 -5.343 4.243 -29.352 1.00 2.03 H new ATOM 0 HB3 SER A 31 -6.084 5.793 -29.007 1.00 2.03 H new ATOM 0 HG SER A 31 -5.265 4.767 -27.095 1.00 2.14 H new ATOM 458 N LEU A 32 -7.372 4.845 -31.783 1.00 40.35 N ATOM 459 CA LEU A 32 -7.684 5.630 -32.973 1.00 75.42 C ATOM 460 C LEU A 32 -7.393 7.109 -32.742 1.00 60.12 C ATOM 461 O LEU A 32 -8.241 7.850 -32.244 1.00 23.32 O ATOM 462 CB LEU A 32 -9.152 5.442 -33.361 1.00 32.21 C ATOM 463 CG LEU A 32 -9.708 6.433 -34.384 1.00 34.11 C ATOM 464 CD1 LEU A 32 -8.821 6.481 -35.618 1.00 21.40 C ATOM 465 CD2 LEU A 32 -11.135 6.063 -34.764 1.00 64.23 C ATOM 0 H LEU A 32 -6.716 4.080 -31.942 1.00 40.35 H new ATOM 0 HA LEU A 32 -7.051 5.277 -33.787 1.00 75.42 H new ATOM 0 HB2 LEU A 32 -9.276 4.434 -33.757 1.00 32.21 H new ATOM 0 HB3 LEU A 32 -9.757 5.506 -32.457 1.00 32.21 H new ATOM 0 HG LEU A 32 -9.719 7.425 -33.932 1.00 34.11 H new ATOM 0 HD11 LEU A 32 -9.233 7.192 -36.335 1.00 21.40 H new ATOM 0 HD12 LEU A 32 -7.817 6.794 -35.332 1.00 21.40 H new ATOM 0 HD13 LEU A 32 -8.777 5.491 -36.073 1.00 21.40 H new ATOM 0 HD21 LEU A 32 -11.515 6.779 -35.493 1.00 64.23 H new ATOM 0 HD22 LEU A 32 -11.149 5.063 -35.197 1.00 64.23 H new ATOM 0 HD23 LEU A 32 -11.765 6.082 -33.875 1.00 64.23 H new ATOM 477 N LYS A 33 -6.189 7.534 -33.110 1.00 21.32 N ATOM 478 CA LYS A 33 -5.785 8.925 -32.947 1.00 12.24 C ATOM 479 C LYS A 33 -4.748 9.317 -33.994 1.00 42.20 C ATOM 480 O LYS A 33 -4.371 8.508 -34.841 1.00 12.31 O ATOM 481 CB LYS A 33 -5.219 9.152 -31.543 1.00 52.40 C ATOM 482 CG LYS A 33 -6.161 8.725 -30.431 1.00 15.41 C ATOM 483 CD LYS A 33 -5.554 8.972 -29.060 1.00 53.40 C ATOM 484 CE LYS A 33 -5.526 10.455 -28.722 1.00 12.11 C ATOM 485 NZ LYS A 33 -5.568 10.690 -27.252 1.00 24.41 N ATOM 0 H LYS A 33 -5.475 6.934 -33.524 1.00 21.32 H new ATOM 0 HA LYS A 33 -6.667 9.551 -33.083 1.00 12.24 H new ATOM 0 HB2 LYS A 33 -4.282 8.603 -31.445 1.00 52.40 H new ATOM 0 HB3 LYS A 33 -4.983 10.209 -31.422 1.00 52.40 H new ATOM 0 HG2 LYS A 33 -7.100 9.272 -30.518 1.00 15.41 H new ATOM 0 HG3 LYS A 33 -6.398 7.667 -30.540 1.00 15.41 H new ATOM 0 HD2 LYS A 33 -6.129 8.436 -28.305 1.00 53.40 H new ATOM 0 HD3 LYS A 33 -4.540 8.572 -29.032 1.00 53.40 H new ATOM 0 HE2 LYS A 33 -4.624 10.905 -29.136 1.00 12.11 H new ATOM 0 HE3 LYS A 33 -6.374 10.951 -29.193 1.00 12.11 H new ATOM 0 HZ1 LYS A 33 -5.547 11.713 -27.063 1.00 24.41 H new ATOM 0 HZ2 LYS A 33 -6.441 10.283 -26.860 1.00 24.41 H new ATOM 0 HZ3 LYS A 33 -4.745 10.239 -26.805 1.00 24.41 H new ATOM 499 N ASN A 34 -4.289 10.563 -33.929 1.00 32.12 N ATOM 500 CA ASN A 34 -3.294 11.061 -34.871 1.00 52.44 C ATOM 501 C ASN A 34 -2.764 12.423 -34.433 1.00 52.34 C ATOM 502 O ASN A 34 -3.481 13.211 -33.816 1.00 33.43 O ATOM 503 CB ASN A 34 -3.896 11.163 -36.274 1.00 54.13 C ATOM 504 CG ASN A 34 -4.711 12.428 -36.463 1.00 74.13 C ATOM 505 OD1 ASN A 34 -4.160 13.515 -36.633 1.00 50.43 O ATOM 506 ND2 ASN A 34 -6.032 12.290 -36.434 1.00 41.51 N ATOM 0 H ASN A 34 -4.590 11.246 -33.234 1.00 32.12 H new ATOM 0 HA ASN A 34 -2.463 10.356 -34.890 1.00 52.44 H new ATOM 0 HB2 ASN A 34 -3.095 11.136 -37.013 1.00 54.13 H new ATOM 0 HB3 ASN A 34 -4.529 10.295 -36.459 1.00 54.13 H new ATOM 0 HD21 ASN A 34 -6.633 13.105 -36.556 1.00 41.51 H new ATOM 0 HD22 ASN A 34 -6.445 11.369 -36.290 1.00 41.51 H new ATOM 513 N ASP A 35 -1.505 12.694 -34.758 1.00 42.00 N ATOM 514 CA ASP A 35 -0.878 13.961 -34.400 1.00 14.30 C ATOM 515 C ASP A 35 -0.057 14.509 -35.563 1.00 54.40 C ATOM 516 O ASP A 35 0.961 13.931 -35.945 1.00 54.41 O ATOM 517 CB ASP A 35 0.012 13.785 -33.169 1.00 63.33 C ATOM 518 CG ASP A 35 -0.098 14.947 -32.203 1.00 15.43 C ATOM 519 OD1 ASP A 35 -0.126 16.105 -32.669 1.00 11.41 O ATOM 520 OD2 ASP A 35 -0.157 14.699 -30.980 1.00 3.41 O ATOM 0 H ASP A 35 -0.898 12.053 -35.269 1.00 42.00 H new ATOM 0 HA ASP A 35 -1.668 14.676 -34.168 1.00 14.30 H new ATOM 0 HB2 ASP A 35 -0.261 12.863 -32.656 1.00 63.33 H new ATOM 0 HB3 ASP A 35 1.049 13.678 -33.487 1.00 63.33 H new ATOM 525 N CYS A 36 -0.507 15.627 -36.123 1.00 51.40 N ATOM 526 CA CYS A 36 0.184 16.254 -37.244 1.00 31.44 C ATOM 527 C CYS A 36 1.650 16.506 -36.906 1.00 5.02 C ATOM 528 O CYS A 36 2.093 16.248 -35.787 1.00 24.23 O ATOM 529 CB CYS A 36 -0.498 17.571 -37.619 1.00 74.51 C ATOM 530 SG CYS A 36 -2.137 17.366 -38.389 1.00 3.12 S ATOM 0 H CYS A 36 -1.348 16.118 -35.819 1.00 51.40 H new ATOM 0 HA CYS A 36 0.137 15.574 -38.094 1.00 31.44 H new ATOM 0 HB2 CYS A 36 -0.603 18.182 -36.722 1.00 74.51 H new ATOM 0 HB3 CYS A 36 0.148 18.120 -38.304 1.00 74.51 H new ATOM 535 N TRP A 37 2.397 17.012 -37.880 1.00 43.04 N ATOM 536 CA TRP A 37 3.814 17.300 -37.687 1.00 30.24 C ATOM 537 C TRP A 37 4.139 18.733 -38.092 1.00 52.14 C ATOM 538 O TRP A 37 3.243 19.521 -38.398 1.00 33.41 O ATOM 539 CB TRP A 37 4.669 16.322 -38.494 1.00 22.10 C ATOM 540 CG TRP A 37 4.412 16.386 -39.969 1.00 62.12 C ATOM 541 CD1 TRP A 37 3.255 16.055 -40.615 1.00 22.33 C ATOM 542 CD2 TRP A 37 5.333 16.805 -40.982 1.00 42.30 C ATOM 543 NE1 TRP A 37 3.401 16.243 -41.968 1.00 24.21 N ATOM 544 CE2 TRP A 37 4.667 16.704 -42.219 1.00 33.41 C ATOM 545 CE3 TRP A 37 6.655 17.259 -40.964 1.00 71.45 C ATOM 546 CZ2 TRP A 37 5.279 17.038 -43.424 1.00 23.32 C ATOM 547 CZ3 TRP A 37 7.261 17.590 -42.161 1.00 65.52 C ATOM 548 CH2 TRP A 37 6.574 17.479 -43.377 1.00 71.41 C ATOM 0 H TRP A 37 2.045 17.232 -38.812 1.00 43.04 H new ATOM 0 HA TRP A 37 4.042 17.182 -36.628 1.00 30.24 H new ATOM 0 HB2 TRP A 37 5.722 16.531 -38.307 1.00 22.10 H new ATOM 0 HB3 TRP A 37 4.478 15.308 -38.143 1.00 22.10 H new ATOM 0 HD1 TRP A 37 2.357 15.698 -40.133 1.00 22.33 H new ATOM 0 HE1 TRP A 37 2.684 16.068 -42.672 1.00 24.21 H new ATOM 0 HE3 TRP A 37 7.193 17.349 -40.032 1.00 71.45 H new ATOM 0 HZ2 TRP A 37 4.751 16.952 -44.362 1.00 23.32 H new ATOM 0 HZ3 TRP A 37 8.283 17.941 -42.159 1.00 65.52 H new ATOM 0 HH2 TRP A 37 7.076 17.747 -44.295 1.00 71.41 H new ATOM 559 N CYS A 38 5.425 19.066 -38.094 1.00 2.12 N ATOM 560 CA CYS A 38 5.869 20.405 -38.462 1.00 14.21 C ATOM 561 C CYS A 38 5.756 20.620 -39.968 1.00 44.45 C ATOM 562 O CYS A 38 5.238 19.769 -40.692 1.00 14.35 O ATOM 563 CB CYS A 38 7.313 20.629 -38.010 1.00 11.23 C ATOM 564 SG CYS A 38 8.491 19.394 -38.646 1.00 21.24 S ATOM 0 H CYS A 38 6.179 18.426 -37.845 1.00 2.12 H new ATOM 0 HA CYS A 38 5.223 21.126 -37.960 1.00 14.21 H new ATOM 0 HB2 CYS A 38 7.633 21.620 -38.331 1.00 11.23 H new ATOM 0 HB3 CYS A 38 7.347 20.620 -36.921 1.00 11.23 H new ATOM 0 HG CYS A 38 8.701 18.487 -37.739 1.00 21.24 H new ATOM 569 N CYS A 39 6.247 21.764 -40.435 1.00 73.22 N ATOM 570 CA CYS A 39 6.202 22.093 -41.855 1.00 23.41 C ATOM 571 C CYS A 39 7.119 23.271 -42.169 1.00 42.22 C ATOM 572 O CYS A 39 7.532 24.008 -41.272 1.00 73.22 O ATOM 573 CB CYS A 39 4.769 22.420 -42.279 1.00 63.34 C ATOM 574 SG CYS A 39 3.885 23.520 -41.128 1.00 23.15 S ATOM 0 H CYS A 39 6.681 22.479 -39.850 1.00 73.22 H new ATOM 0 HA CYS A 39 6.550 21.225 -42.415 1.00 23.41 H new ATOM 0 HB2 CYS A 39 4.790 22.885 -43.265 1.00 63.34 H new ATOM 0 HB3 CYS A 39 4.210 21.490 -42.377 1.00 63.34 H new ATOM 0 HG CYS A 39 4.745 24.234 -40.464 1.00 23.15 H new ATOM 579 N LEU A 40 7.434 23.444 -43.448 1.00 62.42 N ATOM 580 CA LEU A 40 8.302 24.533 -43.882 1.00 61.23 C ATOM 581 C LEU A 40 9.599 24.548 -43.080 1.00 45.02 C ATOM 582 O LEU A 40 9.899 23.605 -42.348 1.00 64.44 O ATOM 583 CB LEU A 40 7.582 25.875 -43.735 1.00 23.52 C ATOM 584 CG LEU A 40 7.633 26.800 -44.951 1.00 15.33 C ATOM 585 CD1 LEU A 40 6.946 26.153 -46.143 1.00 61.14 C ATOM 586 CD2 LEU A 40 6.990 28.141 -44.627 1.00 4.42 C ATOM 0 H LEU A 40 7.101 22.844 -44.203 1.00 62.42 H new ATOM 0 HA LEU A 40 8.548 24.373 -44.932 1.00 61.23 H new ATOM 0 HB2 LEU A 40 6.537 25.680 -43.496 1.00 23.52 H new ATOM 0 HB3 LEU A 40 8.011 26.403 -42.883 1.00 23.52 H new ATOM 0 HG LEU A 40 8.678 26.972 -45.209 1.00 15.33 H new ATOM 0 HD11 LEU A 40 6.992 26.826 -46.999 1.00 61.14 H new ATOM 0 HD12 LEU A 40 7.449 25.218 -46.389 1.00 61.14 H new ATOM 0 HD13 LEU A 40 5.904 25.951 -45.897 1.00 61.14 H new ATOM 0 HD21 LEU A 40 7.035 28.787 -45.504 1.00 4.42 H new ATOM 0 HD22 LEU A 40 5.949 27.986 -44.343 1.00 4.42 H new ATOM 0 HD23 LEU A 40 7.525 28.611 -43.802 1.00 4.42 H new ATOM 598 N ARG A 41 10.364 25.626 -43.222 1.00 31.13 N ATOM 599 CA ARG A 41 11.629 25.764 -42.510 1.00 14.44 C ATOM 600 C ARG A 41 11.391 26.036 -41.027 1.00 32.20 C ATOM 601 O ARG A 41 10.291 26.415 -40.623 1.00 13.22 O ATOM 602 CB ARG A 41 12.460 26.895 -43.119 1.00 23.51 C ATOM 603 CG ARG A 41 11.799 28.259 -43.019 1.00 50.43 C ATOM 604 CD ARG A 41 12.508 29.150 -42.011 1.00 31.44 C ATOM 605 NE ARG A 41 13.923 29.317 -42.328 1.00 45.12 N ATOM 606 CZ ARG A 41 14.833 29.714 -41.445 1.00 52.41 C ATOM 607 NH1 ARG A 41 14.476 29.983 -40.197 1.00 22.04 N ATOM 608 NH2 ARG A 41 16.102 29.843 -41.810 1.00 50.10 N ATOM 0 H ARG A 41 10.130 26.416 -43.823 1.00 31.13 H new ATOM 0 HA ARG A 41 12.176 24.826 -42.607 1.00 14.44 H new ATOM 0 HB2 ARG A 41 13.428 26.932 -42.620 1.00 23.51 H new ATOM 0 HB3 ARG A 41 12.651 26.669 -44.168 1.00 23.51 H new ATOM 0 HG2 ARG A 41 11.804 28.739 -43.997 1.00 50.43 H new ATOM 0 HG3 ARG A 41 10.755 28.138 -42.729 1.00 50.43 H new ATOM 0 HD2 ARG A 41 12.024 30.126 -41.987 1.00 31.44 H new ATOM 0 HD3 ARG A 41 12.408 28.720 -41.014 1.00 31.44 H new ATOM 0 HE ARG A 41 14.230 29.118 -43.280 1.00 45.12 H new ATOM 0 HH11 ARG A 41 13.501 29.885 -39.913 1.00 22.04 H new ATOM 0 HH12 ARG A 41 15.176 30.288 -39.521 1.00 22.04 H new ATOM 0 HH21 ARG A 41 16.380 29.637 -42.770 1.00 50.10 H new ATOM 0 HH22 ARG A 41 16.799 30.148 -41.131 1.00 50.10 H new ATOM 622 N LEU A 42 12.428 25.839 -40.221 1.00 62.31 N ATOM 623 CA LEU A 42 12.333 26.062 -38.783 1.00 32.45 C ATOM 624 C LEU A 42 13.716 26.248 -38.167 1.00 61.44 C ATOM 625 O LEU A 42 14.729 26.204 -38.866 1.00 2.43 O ATOM 626 CB LEU A 42 11.617 24.888 -38.111 1.00 40.31 C ATOM 627 CG LEU A 42 11.903 23.504 -38.695 1.00 44.40 C ATOM 628 CD1 LEU A 42 12.285 22.528 -37.593 1.00 11.51 C ATOM 629 CD2 LEU A 42 10.698 22.992 -39.469 1.00 54.45 C ATOM 0 H LEU A 42 13.345 25.525 -40.539 1.00 62.31 H new ATOM 0 HA LEU A 42 11.758 26.973 -38.620 1.00 32.45 H new ATOM 0 HB2 LEU A 42 11.889 24.878 -37.056 1.00 40.31 H new ATOM 0 HB3 LEU A 42 10.543 25.067 -38.161 1.00 40.31 H new ATOM 0 HG LEU A 42 12.743 23.589 -39.384 1.00 44.40 H new ATOM 0 HD11 LEU A 42 12.485 21.549 -38.028 1.00 11.51 H new ATOM 0 HD12 LEU A 42 13.178 22.887 -37.082 1.00 11.51 H new ATOM 0 HD13 LEU A 42 11.466 22.448 -36.878 1.00 11.51 H new ATOM 0 HD21 LEU A 42 10.920 22.006 -39.877 1.00 54.45 H new ATOM 0 HD22 LEU A 42 9.839 22.923 -38.801 1.00 54.45 H new ATOM 0 HD23 LEU A 42 10.470 23.679 -40.284 1.00 54.45 H new ATOM 641 N LYS A 43 13.752 26.453 -36.855 1.00 74.41 N ATOM 642 CA LYS A 43 15.010 26.642 -36.143 1.00 61.45 C ATOM 643 C LYS A 43 15.256 25.501 -35.161 1.00 64.12 C ATOM 644 O LYS A 43 16.359 24.957 -35.088 1.00 40.12 O ATOM 645 CB LYS A 43 15.002 27.978 -35.398 1.00 5.01 C ATOM 646 CG LYS A 43 13.857 28.117 -34.410 1.00 60.02 C ATOM 647 CD LYS A 43 13.400 29.561 -34.285 1.00 64.23 C ATOM 648 CE LYS A 43 14.262 30.334 -33.299 1.00 15.44 C ATOM 649 NZ LYS A 43 13.549 31.523 -32.754 1.00 30.05 N ATOM 0 H LYS A 43 12.923 26.493 -36.262 1.00 74.41 H new ATOM 0 HA LYS A 43 15.817 26.647 -36.876 1.00 61.45 H new ATOM 0 HB2 LYS A 43 15.946 28.093 -34.866 1.00 5.01 H new ATOM 0 HB3 LYS A 43 14.945 28.789 -36.124 1.00 5.01 H new ATOM 0 HG2 LYS A 43 13.021 27.496 -34.731 1.00 60.02 H new ATOM 0 HG3 LYS A 43 14.171 27.748 -33.434 1.00 60.02 H new ATOM 0 HD2 LYS A 43 13.441 30.043 -35.262 1.00 64.23 H new ATOM 0 HD3 LYS A 43 12.360 29.588 -33.960 1.00 64.23 H new ATOM 0 HE2 LYS A 43 14.554 29.678 -32.479 1.00 15.44 H new ATOM 0 HE3 LYS A 43 15.180 30.655 -33.792 1.00 15.44 H new ATOM 0 HZ1 LYS A 43 14.169 32.024 -32.086 1.00 30.05 H new ATOM 0 HZ2 LYS A 43 13.293 32.162 -33.534 1.00 30.05 H new ATOM 0 HZ3 LYS A 43 12.686 31.215 -32.261 1.00 30.05 H new ATOM 663 N THR A 44 14.222 25.141 -34.407 1.00 40.14 N ATOM 664 CA THR A 44 14.326 24.065 -33.430 1.00 41.01 C ATOM 665 C THR A 44 13.330 22.951 -33.731 1.00 12.14 C ATOM 666 O THR A 44 13.603 21.776 -33.483 1.00 53.24 O ATOM 667 CB THR A 44 14.086 24.581 -31.999 1.00 32.13 C ATOM 668 OG1 THR A 44 14.597 23.641 -31.047 1.00 43.20 O ATOM 669 CG2 THR A 44 12.603 24.809 -31.747 1.00 71.35 C ATOM 0 H THR A 44 13.302 25.580 -34.455 1.00 40.14 H new ATOM 0 HA THR A 44 15.340 23.671 -33.500 1.00 41.01 H new ATOM 0 HB THR A 44 14.608 25.531 -31.887 1.00 32.13 H new ATOM 0 HG1 THR A 44 14.442 23.977 -30.140 1.00 43.20 H new ATOM 0 HG21 THR A 44 12.459 25.173 -30.730 1.00 71.35 H new ATOM 0 HG22 THR A 44 12.223 25.547 -32.454 1.00 71.35 H new ATOM 0 HG23 THR A 44 12.063 23.871 -31.876 1.00 71.35 H new ATOM 677 N LYS A 45 12.173 23.327 -34.266 1.00 63.31 N ATOM 678 CA LYS A 45 11.136 22.359 -34.603 1.00 15.51 C ATOM 679 C LYS A 45 9.945 23.047 -35.265 1.00 23.33 C ATOM 680 O LYS A 45 9.274 22.462 -36.115 1.00 5.22 O ATOM 681 CB LYS A 45 10.675 21.616 -33.347 1.00 2.32 C ATOM 682 CG LYS A 45 9.704 22.411 -32.491 1.00 50.23 C ATOM 683 CD LYS A 45 9.508 21.770 -31.128 1.00 5.34 C ATOM 684 CE LYS A 45 8.938 20.365 -31.249 1.00 3.44 C ATOM 685 NZ LYS A 45 8.009 20.046 -30.130 1.00 20.42 N ATOM 0 H LYS A 45 11.930 24.295 -34.475 1.00 63.31 H new ATOM 0 HA LYS A 45 11.558 21.642 -35.307 1.00 15.51 H new ATOM 0 HB2 LYS A 45 10.203 20.679 -33.642 1.00 2.32 H new ATOM 0 HB3 LYS A 45 11.548 21.358 -32.747 1.00 2.32 H new ATOM 0 HG2 LYS A 45 10.076 23.428 -32.366 1.00 50.23 H new ATOM 0 HG3 LYS A 45 8.744 22.484 -33.001 1.00 50.23 H new ATOM 0 HD2 LYS A 45 10.462 21.733 -30.602 1.00 5.34 H new ATOM 0 HD3 LYS A 45 8.837 22.385 -30.528 1.00 5.34 H new ATOM 0 HE2 LYS A 45 8.411 20.267 -32.198 1.00 3.44 H new ATOM 0 HE3 LYS A 45 9.754 19.642 -31.262 1.00 3.44 H new ATOM 0 HZ1 LYS A 45 7.642 19.080 -30.248 1.00 20.42 H new ATOM 0 HZ2 LYS A 45 8.518 20.114 -29.226 1.00 20.42 H new ATOM 0 HZ3 LYS A 45 7.217 20.720 -30.133 1.00 20.42 H new ATOM 699 N GLN A 46 9.691 24.290 -34.870 1.00 31.03 N ATOM 700 CA GLN A 46 8.582 25.056 -35.426 1.00 71.10 C ATOM 701 C GLN A 46 9.008 26.488 -35.731 1.00 3.10 C ATOM 702 O GLN A 46 9.941 27.011 -35.122 1.00 51.30 O ATOM 703 CB GLN A 46 7.399 25.059 -34.456 1.00 22.10 C ATOM 704 CG GLN A 46 7.725 25.665 -33.101 1.00 4.43 C ATOM 705 CD GLN A 46 6.850 25.118 -31.991 1.00 1.25 C ATOM 706 OE1 GLN A 46 7.341 24.501 -31.045 1.00 34.42 O ATOM 707 NE2 GLN A 46 5.546 25.342 -32.100 1.00 12.55 N ATOM 0 H GLN A 46 10.238 24.788 -34.167 1.00 31.03 H new ATOM 0 HA GLN A 46 8.277 24.581 -36.358 1.00 71.10 H new ATOM 0 HB2 GLN A 46 6.574 25.613 -34.904 1.00 22.10 H new ATOM 0 HB3 GLN A 46 7.054 24.035 -34.313 1.00 22.10 H new ATOM 0 HG2 GLN A 46 8.771 25.471 -32.863 1.00 4.43 H new ATOM 0 HG3 GLN A 46 7.605 26.747 -33.153 1.00 4.43 H new ATOM 0 HE21 GLN A 46 5.182 25.858 -32.901 1.00 12.55 H new ATOM 0 HE22 GLN A 46 4.908 24.998 -31.383 1.00 12.55 H new ATOM 716 N ALA A 47 8.319 27.117 -36.678 1.00 22.52 N ATOM 717 CA ALA A 47 8.626 28.489 -37.062 1.00 74.33 C ATOM 718 C ALA A 47 7.677 28.979 -38.151 1.00 60.52 C ATOM 719 O ALA A 47 6.832 29.841 -37.910 1.00 20.34 O ATOM 720 CB ALA A 47 10.069 28.596 -37.530 1.00 64.10 C ATOM 0 H ALA A 47 7.545 26.698 -37.193 1.00 22.52 H new ATOM 0 HA ALA A 47 8.492 29.124 -36.186 1.00 74.33 H new ATOM 0 HB1 ALA A 47 10.284 29.626 -37.814 1.00 64.10 H new ATOM 0 HB2 ALA A 47 10.737 28.295 -36.723 1.00 64.10 H new ATOM 0 HB3 ALA A 47 10.222 27.944 -38.390 1.00 64.10 H new ATOM 726 N ARG A 48 7.823 28.424 -39.350 1.00 60.10 N ATOM 727 CA ARG A 48 6.980 28.806 -40.476 1.00 41.35 C ATOM 728 C ARG A 48 6.231 27.597 -41.030 1.00 43.51 C ATOM 729 O ARG A 48 6.746 26.479 -41.024 1.00 72.31 O ATOM 730 CB ARG A 48 7.826 29.445 -41.580 1.00 14.02 C ATOM 731 CG ARG A 48 8.370 30.816 -41.214 1.00 13.24 C ATOM 732 CD ARG A 48 9.827 30.741 -40.786 1.00 0.21 C ATOM 733 NE ARG A 48 10.055 31.398 -39.502 1.00 2.42 N ATOM 734 CZ ARG A 48 9.974 32.712 -39.324 1.00 52.30 C ATOM 735 NH1 ARG A 48 9.671 33.505 -40.343 1.00 20.03 N ATOM 736 NH2 ARG A 48 10.195 33.236 -38.125 1.00 21.31 N ATOM 0 H ARG A 48 8.517 27.709 -39.566 1.00 60.10 H new ATOM 0 HA ARG A 48 6.249 29.532 -40.120 1.00 41.35 H new ATOM 0 HB2 ARG A 48 8.660 28.784 -41.816 1.00 14.02 H new ATOM 0 HB3 ARG A 48 7.223 29.532 -42.484 1.00 14.02 H new ATOM 0 HG2 ARG A 48 8.275 31.486 -42.068 1.00 13.24 H new ATOM 0 HG3 ARG A 48 7.774 31.242 -40.407 1.00 13.24 H new ATOM 0 HD2 ARG A 48 10.131 29.697 -40.718 1.00 0.21 H new ATOM 0 HD3 ARG A 48 10.453 31.206 -41.547 1.00 0.21 H new ATOM 0 HE ARG A 48 10.289 30.816 -38.698 1.00 2.42 H new ATOM 0 HH11 ARG A 48 9.499 33.106 -41.266 1.00 20.03 H new ATOM 0 HH12 ARG A 48 9.609 34.514 -40.204 1.00 20.03 H new ATOM 0 HH21 ARG A 48 10.427 32.630 -37.338 1.00 21.31 H new ATOM 0 HH22 ARG A 48 10.132 34.245 -37.990 1.00 21.31 H new ATOM 750 N CYS A 49 5.013 27.830 -41.508 1.00 3.45 N ATOM 751 CA CYS A 49 4.192 26.762 -42.064 1.00 23.10 C ATOM 752 C CYS A 49 3.192 27.315 -43.076 1.00 25.34 C ATOM 753 O CYS A 49 3.154 28.518 -43.332 1.00 4.24 O ATOM 754 CB CYS A 49 3.450 26.026 -40.947 1.00 0.14 C ATOM 755 SG CYS A 49 3.639 24.215 -40.996 1.00 33.20 S ATOM 0 H CYS A 49 4.573 28.750 -41.521 1.00 3.45 H new ATOM 0 HA CYS A 49 4.851 26.061 -42.576 1.00 23.10 H new ATOM 0 HB2 CYS A 49 3.808 26.392 -39.985 1.00 0.14 H new ATOM 0 HB3 CYS A 49 2.390 26.272 -41.007 1.00 0.14 H new ATOM 0 HG CYS A 49 2.992 23.739 -42.018 1.00 33.20 H new ATOM 760 N TRP A 50 2.386 26.428 -43.646 1.00 74.33 N ATOM 761 CA TRP A 50 1.385 26.827 -44.630 1.00 21.32 C ATOM 762 C TRP A 50 -0.024 26.639 -44.080 1.00 33.34 C ATOM 763 O TRP A 50 -0.321 25.633 -43.435 1.00 31.23 O ATOM 764 CB TRP A 50 1.555 26.019 -45.917 1.00 62.24 C ATOM 765 CG TRP A 50 1.813 24.562 -45.675 1.00 44.40 C ATOM 766 CD1 TRP A 50 0.941 23.651 -45.153 1.00 14.12 C ATOM 767 CD2 TRP A 50 3.026 23.851 -45.944 1.00 24.12 C ATOM 768 NE1 TRP A 50 1.538 22.416 -45.081 1.00 31.23 N ATOM 769 CE2 TRP A 50 2.817 22.512 -45.561 1.00 23.53 C ATOM 770 CE3 TRP A 50 4.268 24.214 -46.473 1.00 32.04 C ATOM 771 CZ2 TRP A 50 3.804 21.538 -45.689 1.00 44.13 C ATOM 772 CZ3 TRP A 50 5.247 23.247 -46.599 1.00 74.34 C ATOM 773 CH2 TRP A 50 5.010 21.922 -46.210 1.00 24.40 C ATOM 0 H TRP A 50 2.405 25.428 -43.445 1.00 74.33 H new ATOM 0 HA TRP A 50 1.530 27.884 -44.851 1.00 21.32 H new ATOM 0 HB2 TRP A 50 0.657 26.125 -46.525 1.00 62.24 H new ATOM 0 HB3 TRP A 50 2.381 26.436 -46.493 1.00 62.24 H new ATOM 0 HD1 TRP A 50 -0.070 23.869 -44.842 1.00 14.12 H new ATOM 0 HE1 TRP A 50 1.100 21.565 -44.727 1.00 31.23 H new ATOM 0 HE3 TRP A 50 4.459 25.232 -46.778 1.00 32.04 H new ATOM 0 HZ2 TRP A 50 3.624 20.516 -45.388 1.00 44.13 H new ATOM 0 HZ3 TRP A 50 6.211 23.517 -47.004 1.00 74.34 H new ATOM 0 HH2 TRP A 50 5.795 21.189 -46.324 1.00 24.40 H new ATOM 784 N LYS A 51 -0.891 27.613 -44.338 1.00 65.40 N ATOM 785 CA LYS A 51 -2.270 27.554 -43.870 1.00 52.21 C ATOM 786 C LYS A 51 -3.069 26.521 -44.658 1.00 62.31 C ATOM 787 O LYS A 51 -3.143 26.585 -45.885 1.00 32.14 O ATOM 788 CB LYS A 51 -2.931 28.929 -43.995 1.00 34.30 C ATOM 789 CG LYS A 51 -2.147 30.044 -43.327 1.00 3.15 C ATOM 790 CD LYS A 51 -1.605 31.033 -44.345 1.00 71.03 C ATOM 791 CE LYS A 51 -0.330 31.700 -43.852 1.00 31.51 C ATOM 792 NZ LYS A 51 -0.011 32.930 -44.628 1.00 34.12 N ATOM 0 H LYS A 51 -0.662 28.453 -44.869 1.00 65.40 H new ATOM 0 HA LYS A 51 -2.259 27.256 -42.822 1.00 52.21 H new ATOM 0 HB2 LYS A 51 -3.057 29.167 -45.051 1.00 34.30 H new ATOM 0 HB3 LYS A 51 -3.928 28.885 -43.557 1.00 34.30 H new ATOM 0 HG2 LYS A 51 -2.789 30.566 -42.617 1.00 3.15 H new ATOM 0 HG3 LYS A 51 -1.321 29.618 -42.757 1.00 3.15 H new ATOM 0 HD2 LYS A 51 -1.407 30.517 -45.285 1.00 71.03 H new ATOM 0 HD3 LYS A 51 -2.358 31.794 -44.551 1.00 71.03 H new ATOM 0 HE2 LYS A 51 -0.437 31.954 -42.797 1.00 31.51 H new ATOM 0 HE3 LYS A 51 0.500 30.997 -43.928 1.00 31.51 H new ATOM 0 HZ1 LYS A 51 0.865 33.355 -44.261 1.00 34.12 H new ATOM 0 HZ2 LYS A 51 0.117 32.685 -45.631 1.00 34.12 H new ATOM 0 HZ3 LYS A 51 -0.791 33.611 -44.535 1.00 34.12 H new ATOM 806 N GLU A 52 -3.665 25.570 -43.945 1.00 1.43 N ATOM 807 CA GLU A 52 -4.458 24.524 -44.579 1.00 53.31 C ATOM 808 C GLU A 52 -5.630 25.123 -45.352 1.00 0.22 C ATOM 809 O GLU A 52 -6.242 24.459 -46.189 1.00 25.33 O ATOM 810 CB GLU A 52 -4.976 23.539 -43.529 1.00 61.34 C ATOM 811 CG GLU A 52 -5.532 22.255 -44.122 1.00 23.41 C ATOM 812 CD GLU A 52 -7.019 22.095 -43.876 1.00 34.41 C ATOM 813 OE1 GLU A 52 -7.409 21.901 -42.705 1.00 60.43 O ATOM 814 OE2 GLU A 52 -7.794 22.163 -44.853 1.00 44.11 O ATOM 0 H GLU A 52 -3.613 25.503 -42.929 1.00 1.43 H new ATOM 0 HA GLU A 52 -3.816 23.992 -45.281 1.00 53.31 H new ATOM 0 HB2 GLU A 52 -4.165 23.292 -42.844 1.00 61.34 H new ATOM 0 HB3 GLU A 52 -5.754 24.024 -42.940 1.00 61.34 H new ATOM 0 HG2 GLU A 52 -5.342 22.243 -45.195 1.00 23.41 H new ATOM 0 HG3 GLU A 52 -5.003 21.403 -43.695 1.00 23.41 H new ATOM 821 N LYS A 53 -5.938 26.383 -45.065 1.00 10.43 N ATOM 822 CA LYS A 53 -7.035 27.074 -45.731 1.00 53.35 C ATOM 823 C LYS A 53 -6.652 27.455 -47.158 1.00 3.22 C ATOM 824 O LYS A 53 -7.468 27.365 -48.074 1.00 63.43 O ATOM 825 CB LYS A 53 -7.429 28.327 -44.946 1.00 5.41 C ATOM 826 CG LYS A 53 -6.301 29.336 -44.805 1.00 73.31 C ATOM 827 CD LYS A 53 -6.323 30.010 -43.443 1.00 62.44 C ATOM 828 CE LYS A 53 -5.460 31.262 -43.428 1.00 0.13 C ATOM 829 NZ LYS A 53 -6.268 32.495 -43.641 1.00 22.21 N ATOM 0 H LYS A 53 -5.442 26.947 -44.375 1.00 10.43 H new ATOM 0 HA LYS A 53 -7.887 26.395 -45.771 1.00 53.35 H new ATOM 0 HB2 LYS A 53 -8.274 28.806 -45.442 1.00 5.41 H new ATOM 0 HB3 LYS A 53 -7.768 28.032 -43.953 1.00 5.41 H new ATOM 0 HG2 LYS A 53 -5.344 28.835 -44.949 1.00 73.31 H new ATOM 0 HG3 LYS A 53 -6.387 30.091 -45.587 1.00 73.31 H new ATOM 0 HD2 LYS A 53 -7.349 30.270 -43.181 1.00 62.44 H new ATOM 0 HD3 LYS A 53 -5.968 29.312 -42.685 1.00 62.44 H new ATOM 0 HE2 LYS A 53 -4.937 31.331 -42.474 1.00 0.13 H new ATOM 0 HE3 LYS A 53 -4.699 31.188 -44.205 1.00 0.13 H new ATOM 0 HZ1 LYS A 53 -5.644 33.327 -43.624 1.00 22.21 H new ATOM 0 HZ2 LYS A 53 -6.748 32.441 -44.562 1.00 22.21 H new ATOM 0 HZ3 LYS A 53 -6.978 32.580 -42.886 1.00 22.21 H new ATOM 843 N GLU A 54 -5.405 27.880 -47.337 1.00 62.22 N ATOM 844 CA GLU A 54 -4.914 28.273 -48.653 1.00 14.31 C ATOM 845 C GLU A 54 -4.014 27.192 -49.243 1.00 45.45 C ATOM 846 O GLU A 54 -3.646 27.248 -50.417 1.00 71.33 O ATOM 847 CB GLU A 54 -4.150 29.596 -48.562 1.00 74.03 C ATOM 848 CG GLU A 54 -5.034 30.788 -48.236 1.00 10.13 C ATOM 849 CD GLU A 54 -5.726 31.354 -49.460 1.00 41.45 C ATOM 850 OE1 GLU A 54 -5.831 30.629 -50.472 1.00 0.44 O ATOM 851 OE2 GLU A 54 -6.163 32.523 -49.407 1.00 3.30 O ATOM 0 H GLU A 54 -4.717 27.961 -46.588 1.00 62.22 H new ATOM 0 HA GLU A 54 -5.774 28.403 -49.310 1.00 14.31 H new ATOM 0 HB2 GLU A 54 -3.377 29.508 -47.798 1.00 74.03 H new ATOM 0 HB3 GLU A 54 -3.643 29.779 -49.509 1.00 74.03 H new ATOM 0 HG2 GLU A 54 -5.785 30.489 -47.505 1.00 10.13 H new ATOM 0 HG3 GLU A 54 -4.430 31.568 -47.772 1.00 10.13 H new ATOM 858 N PHE A 55 -3.661 26.210 -48.421 1.00 1.00 N ATOM 859 CA PHE A 55 -2.802 25.117 -48.860 1.00 62.41 C ATOM 860 C PHE A 55 -3.456 23.766 -48.584 1.00 55.14 C ATOM 861 O PHE A 55 -3.643 23.361 -47.437 1.00 23.22 O ATOM 862 CB PHE A 55 -1.445 25.191 -48.157 1.00 11.54 C ATOM 863 CG PHE A 55 -0.372 25.832 -48.990 1.00 12.01 C ATOM 864 CD1 PHE A 55 -0.405 27.190 -49.261 1.00 11.54 C ATOM 865 CD2 PHE A 55 0.669 25.075 -49.503 1.00 50.52 C ATOM 866 CE1 PHE A 55 0.581 27.783 -50.027 1.00 12.21 C ATOM 867 CE2 PHE A 55 1.658 25.663 -50.270 1.00 31.34 C ATOM 868 CZ PHE A 55 1.613 27.018 -50.533 1.00 21.11 C ATOM 0 H PHE A 55 -3.957 26.149 -47.447 1.00 1.00 H new ATOM 0 HA PHE A 55 -2.653 25.217 -49.935 1.00 62.41 H new ATOM 0 HB2 PHE A 55 -1.556 25.751 -47.228 1.00 11.54 H new ATOM 0 HB3 PHE A 55 -1.130 24.183 -47.886 1.00 11.54 H new ATOM 0 HD1 PHE A 55 -1.211 27.793 -48.869 1.00 11.54 H new ATOM 0 HD2 PHE A 55 0.708 24.015 -49.302 1.00 50.52 H new ATOM 0 HE1 PHE A 55 0.544 28.843 -50.229 1.00 12.21 H new ATOM 0 HE2 PHE A 55 2.465 25.063 -50.663 1.00 31.34 H new ATOM 0 HZ PHE A 55 2.384 27.478 -51.133 1.00 21.11 H new ATOM 878 N PRO A 56 -3.815 23.052 -49.662 1.00 12.13 N ATOM 879 CA PRO A 56 -4.455 21.737 -49.563 1.00 23.35 C ATOM 880 C PRO A 56 -3.499 20.665 -49.049 1.00 34.03 C ATOM 881 O PRO A 56 -3.918 19.704 -48.404 1.00 53.43 O ATOM 882 CB PRO A 56 -4.871 21.435 -51.004 1.00 50.23 C ATOM 883 CG PRO A 56 -3.930 22.228 -51.844 1.00 61.11 C ATOM 884 CD PRO A 56 -3.624 23.474 -51.060 1.00 25.45 C ATOM 0 HA PRO A 56 -5.286 21.740 -48.857 1.00 23.35 H new ATOM 0 HB2 PRO A 56 -4.796 20.370 -51.223 1.00 50.23 H new ATOM 0 HB3 PRO A 56 -5.906 21.725 -51.187 1.00 50.23 H new ATOM 0 HG2 PRO A 56 -3.021 21.664 -52.050 1.00 61.11 H new ATOM 0 HG3 PRO A 56 -4.378 22.473 -52.807 1.00 61.11 H new ATOM 0 HD2 PRO A 56 -2.607 23.822 -51.239 1.00 25.45 H new ATOM 0 HD3 PRO A 56 -4.293 24.292 -51.328 1.00 25.45 H new ATOM 892 N ASN A 57 -2.214 20.837 -49.338 1.00 64.11 N ATOM 893 CA ASN A 57 -1.199 19.883 -48.905 1.00 4.42 C ATOM 894 C ASN A 57 -1.195 19.746 -47.385 1.00 63.03 C ATOM 895 O ASN A 57 -0.940 18.667 -46.850 1.00 53.42 O ATOM 896 CB ASN A 57 0.184 20.322 -49.392 1.00 31.00 C ATOM 897 CG ASN A 57 0.916 19.216 -50.127 1.00 33.52 C ATOM 898 OD1 ASN A 57 0.884 18.012 -49.566 1.00 31.43 O flip ATOM 899 ND2 ASN A 57 1.502 19.441 -51.186 1.00 44.05 N flip ATOM 0 H ASN A 57 -1.850 21.628 -49.870 1.00 64.11 H new ATOM 0 HA ASN A 57 -1.439 18.913 -49.339 1.00 4.42 H new ATOM 0 HB2 ASN A 57 0.078 21.184 -50.051 1.00 31.00 H new ATOM 0 HB3 ASN A 57 0.781 20.645 -48.539 1.00 31.00 H new ATOM 0 HD21 ASN A 57 1.500 20.382 -51.580 1.00 44.05 H new ATOM 0 HD22 ASN A 57 1.989 18.687 -51.669 1.00 44.05 H new ATOM 906 N ALA A 58 -1.479 20.846 -46.696 1.00 51.34 N ATOM 907 CA ALA A 58 -1.511 20.848 -45.239 1.00 51.32 C ATOM 908 C ALA A 58 -2.474 19.791 -44.710 1.00 25.43 C ATOM 909 O ALA A 58 -2.124 19.003 -43.830 1.00 75.12 O ATOM 910 CB ALA A 58 -1.900 22.225 -44.722 1.00 13.23 C ATOM 0 H ALA A 58 -1.690 21.748 -47.124 1.00 51.34 H new ATOM 0 HA ALA A 58 -0.512 20.605 -44.878 1.00 51.32 H new ATOM 0 HB1 ALA A 58 -1.920 22.212 -43.632 1.00 13.23 H new ATOM 0 HB2 ALA A 58 -1.172 22.961 -45.063 1.00 13.23 H new ATOM 0 HB3 ALA A 58 -2.887 22.490 -45.100 1.00 13.23 H new ATOM 916 N LYS A 59 -3.687 19.778 -45.250 1.00 53.41 N ATOM 917 CA LYS A 59 -4.701 18.817 -44.833 1.00 54.21 C ATOM 918 C LYS A 59 -4.307 17.400 -45.238 1.00 54.45 C ATOM 919 O LYS A 59 -4.462 16.458 -44.462 1.00 51.15 O ATOM 920 CB LYS A 59 -6.057 19.176 -45.446 1.00 43.33 C ATOM 921 CG LYS A 59 -7.229 18.947 -44.508 1.00 2.43 C ATOM 922 CD LYS A 59 -7.276 17.511 -44.015 1.00 32.21 C ATOM 923 CE LYS A 59 -7.437 16.531 -45.167 1.00 43.23 C ATOM 924 NZ LYS A 59 -8.723 16.732 -45.891 1.00 45.21 N ATOM 0 H LYS A 59 -3.993 20.423 -45.979 1.00 53.41 H new ATOM 0 HA LYS A 59 -4.779 18.857 -43.747 1.00 54.21 H new ATOM 0 HB2 LYS A 59 -6.044 20.223 -45.748 1.00 43.33 H new ATOM 0 HB3 LYS A 59 -6.205 18.585 -46.350 1.00 43.33 H new ATOM 0 HG2 LYS A 59 -7.152 19.623 -43.656 1.00 2.43 H new ATOM 0 HG3 LYS A 59 -8.160 19.187 -45.022 1.00 2.43 H new ATOM 0 HD2 LYS A 59 -6.362 17.283 -43.467 1.00 32.21 H new ATOM 0 HD3 LYS A 59 -8.104 17.392 -43.316 1.00 32.21 H new ATOM 0 HE2 LYS A 59 -6.606 16.649 -45.863 1.00 43.23 H new ATOM 0 HE3 LYS A 59 -7.391 15.511 -44.785 1.00 43.23 H new ATOM 0 HZ1 LYS A 59 -8.874 15.946 -46.555 1.00 45.21 H new ATOM 0 HZ2 LYS A 59 -9.505 16.763 -45.207 1.00 45.21 H new ATOM 0 HZ3 LYS A 59 -8.688 17.628 -46.418 1.00 45.21 H new ATOM 938 N GLU A 60 -3.797 17.259 -46.458 1.00 21.23 N ATOM 939 CA GLU A 60 -3.380 15.956 -46.964 1.00 55.42 C ATOM 940 C GLU A 60 -2.282 15.358 -46.090 1.00 12.33 C ATOM 941 O GLU A 60 -2.324 14.177 -45.742 1.00 2.30 O ATOM 942 CB GLU A 60 -2.888 16.079 -48.408 1.00 1.53 C ATOM 943 CG GLU A 60 -4.006 16.272 -49.418 1.00 52.01 C ATOM 944 CD GLU A 60 -4.660 14.964 -49.821 1.00 41.50 C ATOM 945 OE1 GLU A 60 -4.489 13.966 -49.092 1.00 20.53 O ATOM 946 OE2 GLU A 60 -5.343 14.941 -50.866 1.00 60.24 O ATOM 0 H GLU A 60 -3.663 18.029 -47.113 1.00 21.23 H new ATOM 0 HA GLU A 60 -4.243 15.291 -46.937 1.00 55.42 H new ATOM 0 HB2 GLU A 60 -2.198 16.920 -48.477 1.00 1.53 H new ATOM 0 HB3 GLU A 60 -2.325 15.183 -48.669 1.00 1.53 H new ATOM 0 HG2 GLU A 60 -4.760 16.937 -48.997 1.00 52.01 H new ATOM 0 HG3 GLU A 60 -3.608 16.764 -50.306 1.00 52.01 H new ATOM 953 N LEU A 61 -1.300 16.181 -45.738 1.00 54.13 N ATOM 954 CA LEU A 61 -0.190 15.735 -44.905 1.00 25.34 C ATOM 955 C LEU A 61 -0.664 15.415 -43.491 1.00 0.34 C ATOM 956 O LEU A 61 -0.216 14.446 -42.878 1.00 24.22 O ATOM 957 CB LEU A 61 0.902 16.805 -44.859 1.00 0.40 C ATOM 958 CG LEU A 61 1.474 17.239 -46.209 1.00 53.02 C ATOM 959 CD1 LEU A 61 1.875 18.706 -46.173 1.00 34.40 C ATOM 960 CD2 LEU A 61 2.663 16.369 -46.589 1.00 74.54 C ATOM 0 H LEU A 61 -1.251 17.161 -46.017 1.00 54.13 H new ATOM 0 HA LEU A 61 0.219 14.826 -45.346 1.00 25.34 H new ATOM 0 HB2 LEU A 61 0.499 17.685 -44.358 1.00 0.40 H new ATOM 0 HB3 LEU A 61 1.721 16.434 -44.243 1.00 0.40 H new ATOM 0 HG LEU A 61 0.700 17.114 -46.966 1.00 53.02 H new ATOM 0 HD11 LEU A 61 2.280 18.996 -47.142 1.00 34.40 H new ATOM 0 HD12 LEU A 61 1.001 19.317 -45.947 1.00 34.40 H new ATOM 0 HD13 LEU A 61 2.632 18.857 -45.404 1.00 34.40 H new ATOM 0 HD21 LEU A 61 3.057 16.692 -47.552 1.00 74.54 H new ATOM 0 HD22 LEU A 61 3.439 16.462 -45.830 1.00 74.54 H new ATOM 0 HD23 LEU A 61 2.345 15.329 -46.658 1.00 74.54 H new ATOM 972 N CYS A 62 -1.575 16.236 -42.978 1.00 72.34 N ATOM 973 CA CYS A 62 -2.113 16.041 -41.637 1.00 62.34 C ATOM 974 C CYS A 62 -2.806 14.686 -41.521 1.00 11.31 C ATOM 975 O CYS A 62 -2.573 13.937 -40.572 1.00 61.24 O ATOM 976 CB CYS A 62 -3.096 17.161 -41.292 1.00 30.24 C ATOM 977 SG CYS A 62 -2.648 18.110 -39.803 1.00 1.31 S ATOM 0 H CYS A 62 -1.956 17.043 -43.471 1.00 72.34 H new ATOM 0 HA CYS A 62 -1.283 16.066 -40.931 1.00 62.34 H new ATOM 0 HB2 CYS A 62 -3.164 17.844 -42.139 1.00 30.24 H new ATOM 0 HB3 CYS A 62 -4.087 16.730 -41.151 1.00 30.24 H new ATOM 982 N PHE A 63 -3.659 14.379 -42.492 1.00 53.24 N ATOM 983 CA PHE A 63 -4.388 13.116 -42.499 1.00 65.22 C ATOM 984 C PHE A 63 -3.468 11.960 -42.881 1.00 64.14 C ATOM 985 O PHE A 63 -3.517 10.888 -42.279 1.00 3.23 O ATOM 986 CB PHE A 63 -5.566 13.187 -43.472 1.00 53.50 C ATOM 987 CG PHE A 63 -6.901 13.292 -42.790 1.00 44.14 C ATOM 988 CD1 PHE A 63 -7.106 14.216 -41.778 1.00 43.13 C ATOM 989 CD2 PHE A 63 -7.950 12.467 -43.162 1.00 1.11 C ATOM 990 CE1 PHE A 63 -8.332 14.314 -41.149 1.00 33.30 C ATOM 991 CE2 PHE A 63 -9.179 12.560 -42.536 1.00 41.53 C ATOM 992 CZ PHE A 63 -9.371 13.486 -41.529 1.00 65.12 C ATOM 0 H PHE A 63 -3.863 14.988 -43.285 1.00 53.24 H new ATOM 0 HA PHE A 63 -4.768 12.939 -41.493 1.00 65.22 H new ATOM 0 HB2 PHE A 63 -5.434 14.047 -44.128 1.00 53.50 H new ATOM 0 HB3 PHE A 63 -5.559 12.299 -44.104 1.00 53.50 H new ATOM 0 HD1 PHE A 63 -6.298 14.867 -41.478 1.00 43.13 H new ATOM 0 HD2 PHE A 63 -7.806 11.743 -43.950 1.00 1.11 H new ATOM 0 HE1 PHE A 63 -8.478 15.037 -40.361 1.00 33.30 H new ATOM 0 HE2 PHE A 63 -9.988 11.910 -42.834 1.00 41.53 H new ATOM 0 HZ PHE A 63 -10.331 13.563 -41.040 1.00 65.12 H new ATOM 1002 N ALA A 64 -2.630 12.186 -43.888 1.00 2.31 N ATOM 1003 CA ALA A 64 -1.698 11.165 -44.350 1.00 43.53 C ATOM 1004 C ALA A 64 -0.609 10.906 -43.314 1.00 53.13 C ATOM 1005 O ALA A 64 0.091 9.897 -43.376 1.00 21.43 O ATOM 1006 CB ALA A 64 -1.078 11.579 -45.677 1.00 73.53 C ATOM 0 H ALA A 64 -2.578 13.067 -44.399 1.00 2.31 H new ATOM 0 HA ALA A 64 -2.254 10.239 -44.494 1.00 43.53 H new ATOM 0 HB1 ALA A 64 -0.384 10.808 -46.011 1.00 73.53 H new ATOM 0 HB2 ALA A 64 -1.864 11.707 -46.422 1.00 73.53 H new ATOM 0 HB3 ALA A 64 -0.542 12.519 -45.550 1.00 73.53 H new ATOM 1012 N ASN A 65 -0.473 11.825 -42.363 1.00 62.35 N ATOM 1013 CA ASN A 65 0.532 11.695 -41.314 1.00 50.33 C ATOM 1014 C ASN A 65 0.490 10.304 -40.689 1.00 54.21 C ATOM 1015 O ASN A 65 -0.579 9.800 -40.341 1.00 4.43 O ATOM 1016 CB ASN A 65 0.313 12.758 -40.236 1.00 1.31 C ATOM 1017 CG ASN A 65 -0.556 12.257 -39.098 1.00 43.53 C ATOM 1018 OD1 ASN A 65 -1.707 11.874 -39.304 1.00 72.24 O ATOM 1019 ND2 ASN A 65 -0.006 12.259 -37.889 1.00 53.43 N ATOM 0 H ASN A 65 -1.045 12.667 -42.297 1.00 62.35 H new ATOM 0 HA ASN A 65 1.513 11.841 -41.765 1.00 50.33 H new ATOM 0 HB2 ASN A 65 1.278 13.075 -39.840 1.00 1.31 H new ATOM 0 HB3 ASN A 65 -0.151 13.636 -40.685 1.00 1.31 H new ATOM 0 HD21 ASN A 65 -0.542 11.934 -37.084 1.00 53.43 H new ATOM 0 HD22 ASN A 65 0.952 12.586 -37.765 1.00 53.43 H new ATOM 1026 N CYS A 66 1.659 9.689 -40.549 1.00 72.53 N ATOM 1027 CA CYS A 66 1.757 8.356 -39.966 1.00 40.02 C ATOM 1028 C CYS A 66 3.200 7.859 -39.985 1.00 73.01 C ATOM 1029 O CYS A 66 3.971 8.152 -40.899 1.00 24.43 O ATOM 1030 CB CYS A 66 0.859 7.377 -40.725 1.00 13.02 C ATOM 1031 SG CYS A 66 -0.544 6.745 -39.749 1.00 4.44 S ATOM 0 H CYS A 66 2.552 10.092 -40.831 1.00 72.53 H new ATOM 0 HA CYS A 66 1.425 8.415 -38.930 1.00 40.02 H new ATOM 0 HB2 CYS A 66 0.474 7.871 -41.617 1.00 13.02 H new ATOM 0 HB3 CYS A 66 1.462 6.534 -41.062 1.00 13.02 H new ATOM 1036 N PRO A 67 3.574 7.089 -38.953 1.00 35.52 N ATOM 1037 CA PRO A 67 4.925 6.534 -38.828 1.00 34.43 C ATOM 1038 C PRO A 67 5.205 5.451 -39.864 1.00 72.31 C ATOM 1039 O PRO A 67 4.309 4.988 -40.571 1.00 64.21 O ATOM 1040 CB PRO A 67 4.935 5.939 -37.417 1.00 53.21 C ATOM 1041 CG PRO A 67 3.505 5.640 -37.122 1.00 65.30 C ATOM 1042 CD PRO A 67 2.706 6.699 -37.828 1.00 51.34 C ATOM 0 HA PRO A 67 5.693 7.290 -38.992 1.00 34.43 H new ATOM 0 HB2 PRO A 67 5.546 5.037 -37.372 1.00 53.21 H new ATOM 0 HB3 PRO A 67 5.350 6.641 -36.694 1.00 53.21 H new ATOM 0 HG2 PRO A 67 3.233 4.645 -37.476 1.00 65.30 H new ATOM 0 HG3 PRO A 67 3.316 5.659 -36.049 1.00 65.30 H new ATOM 0 HD2 PRO A 67 1.747 6.314 -38.175 1.00 51.34 H new ATOM 0 HD3 PRO A 67 2.492 7.544 -37.174 1.00 51.34 H new ATOM 1050 N PRO A 68 6.477 5.035 -39.958 1.00 53.41 N ATOM 1051 CA PRO A 68 6.904 4.001 -40.905 1.00 53.01 C ATOM 1052 C PRO A 68 6.377 2.620 -40.531 1.00 23.31 C ATOM 1053 O PRO A 68 5.838 2.424 -39.441 1.00 24.33 O ATOM 1054 CB PRO A 68 8.431 4.037 -40.805 1.00 33.34 C ATOM 1055 CG PRO A 68 8.708 4.576 -39.444 1.00 2.01 C ATOM 1056 CD PRO A 68 7.596 5.543 -39.147 1.00 12.21 C ATOM 0 HA PRO A 68 6.525 4.187 -41.910 1.00 53.01 H new ATOM 0 HB2 PRO A 68 8.860 3.043 -40.932 1.00 33.34 H new ATOM 0 HB3 PRO A 68 8.864 4.672 -41.578 1.00 33.34 H new ATOM 0 HG2 PRO A 68 8.736 3.775 -38.705 1.00 2.01 H new ATOM 0 HG3 PRO A 68 9.677 5.074 -39.411 1.00 2.01 H new ATOM 0 HD2 PRO A 68 7.349 5.558 -38.085 1.00 12.21 H new ATOM 0 HD3 PRO A 68 7.864 6.562 -39.426 1.00 12.21 H new ATOM 1064 N LEU A 69 6.537 1.665 -41.440 1.00 71.34 N ATOM 1065 CA LEU A 69 6.078 0.300 -41.205 1.00 51.05 C ATOM 1066 C LEU A 69 7.259 -0.654 -41.061 1.00 70.41 C ATOM 1067 O LEU A 69 7.155 -1.838 -41.382 1.00 10.23 O ATOM 1068 CB LEU A 69 5.173 -0.159 -42.351 1.00 25.15 C ATOM 1069 CG LEU A 69 4.096 0.831 -42.793 1.00 40.43 C ATOM 1070 CD1 LEU A 69 4.638 1.767 -43.863 1.00 30.11 C ATOM 1071 CD2 LEU A 69 2.868 0.091 -43.302 1.00 53.12 C ATOM 0 H LEU A 69 6.981 1.810 -42.347 1.00 71.34 H new ATOM 0 HA LEU A 69 5.510 0.289 -40.275 1.00 51.05 H new ATOM 0 HB2 LEU A 69 5.800 -0.391 -43.212 1.00 25.15 H new ATOM 0 HB3 LEU A 69 4.685 -1.087 -42.053 1.00 25.15 H new ATOM 0 HG LEU A 69 3.803 1.429 -41.930 1.00 40.43 H new ATOM 0 HD11 LEU A 69 3.857 2.465 -44.165 1.00 30.11 H new ATOM 0 HD12 LEU A 69 5.487 2.323 -43.464 1.00 30.11 H new ATOM 0 HD13 LEU A 69 4.959 1.185 -44.727 1.00 30.11 H new ATOM 0 HD21 LEU A 69 2.112 0.812 -43.612 1.00 53.12 H new ATOM 0 HD22 LEU A 69 3.145 -0.533 -44.152 1.00 53.12 H new ATOM 0 HD23 LEU A 69 2.466 -0.537 -42.507 1.00 53.12 H new ATOM 1083 N GLU A 70 8.380 -0.131 -40.575 1.00 21.22 N ATOM 1084 CA GLU A 70 9.580 -0.938 -40.387 1.00 21.12 C ATOM 1085 C GLU A 70 10.139 -0.762 -38.978 1.00 2.31 C ATOM 1086 O GLU A 70 10.423 0.356 -38.548 1.00 34.22 O ATOM 1087 CB GLU A 70 10.643 -0.560 -41.420 1.00 41.33 C ATOM 1088 CG GLU A 70 10.226 -0.842 -42.854 1.00 20.02 C ATOM 1089 CD GLU A 70 11.166 -1.802 -43.556 1.00 70.35 C ATOM 1090 OE1 GLU A 70 12.395 -1.604 -43.461 1.00 25.51 O ATOM 1091 OE2 GLU A 70 10.673 -2.751 -44.202 1.00 12.32 O ATOM 0 H GLU A 70 8.482 0.847 -40.304 1.00 21.22 H new ATOM 0 HA GLU A 70 9.308 -1.985 -40.523 1.00 21.12 H new ATOM 0 HB2 GLU A 70 10.874 0.500 -41.320 1.00 41.33 H new ATOM 0 HB3 GLU A 70 11.560 -1.108 -41.203 1.00 41.33 H new ATOM 0 HG2 GLU A 70 9.218 -1.256 -42.861 1.00 20.02 H new ATOM 0 HG3 GLU A 70 10.189 0.095 -43.409 1.00 20.02 H new