USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 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 47 CYS SG : rot -139:sc= 0.167 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -4.12! C(o=-5.7!,f=-14!) USER MOD Set 1.3: A 50 CYS SG : rot 115:sc= -1.74 USER MOD Set 2.1: A 28 ASN : amide:sc= -3.45 K(o=-4.5,f=-8.1!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.02 F(o=-5.8,f=-4.5) USER MOD Set 3.1: A 23 THR OG1 : rot -113:sc= 1.25 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.649 K(o=0.6,f=-3.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -159:sc= 1.17 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.66! C(o=-3.7!,f=-3.5!) USER MOD Single : A 54 THR OG1 : rot 88:sc= 0.888 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.0245 (180deg=-0.0245) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc=-0.00344 (180deg=-0.0852) USER MOD Single : A 74 ASN : amide:sc= -7.07! C(o=-7.1!,f=-16!) USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00114) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -6.38! C(o=-8.3!,f=-6.4!) USER MOD Single : A 79 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.8!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 80:sc= 1.17 USER MOD Single : A 88 GLN : amide:sc= -0.0623 K(o=-0.062,f=-1.6!) USER MOD Single : A 92 THR OG1 : rot 33:sc= 0.462 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -2.88! C(o=-2.9!,f=-4.9!) USER MOD Single : A 100 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.847) USER MOD Single : A 101 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 120:sc=-0.00671 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.792 2.459 -11.550 1.00 0.00 N ATOM 196 CA ASP A 18 7.147 1.186 -11.850 1.00 0.00 C ATOM 197 C ASP A 18 5.944 0.958 -10.940 1.00 0.00 C ATOM 198 O ASP A 18 5.253 -0.055 -11.049 1.00 0.00 O ATOM 199 CB ASP A 18 8.144 0.036 -11.696 1.00 0.00 C ATOM 200 CG ASP A 18 7.840 -1.122 -12.626 1.00 0.00 C ATOM 201 OD1 ASP A 18 7.077 -2.024 -12.220 1.00 0.00 O ATOM 202 OD2 ASP A 18 8.364 -1.126 -13.759 1.00 0.00 O ATOM 0 HA ASP A 18 6.798 1.218 -12.882 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.151 0.403 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.131 -0.317 -10.665 1.00 0.00 H new ATOM 207 N VAL A 19 5.700 1.907 -10.041 1.00 0.00 N ATOM 208 CA VAL A 19 4.581 1.810 -9.112 1.00 0.00 C ATOM 209 C VAL A 19 3.251 1.774 -9.856 1.00 0.00 C ATOM 210 O VAL A 19 3.008 2.582 -10.753 1.00 0.00 O ATOM 211 CB VAL A 19 4.571 2.990 -8.121 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.306 2.966 -7.276 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.811 2.956 -7.241 1.00 0.00 C ATOM 0 H VAL A 19 6.263 2.751 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 19 4.709 0.880 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 19 4.582 3.920 -8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.316 3.806 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.433 3.042 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.261 2.033 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.788 3.796 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.833 2.022 -6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.702 3.025 -7.865 1.00 0.00 H new ATOM 223 N ILE A 20 2.393 0.833 -9.477 1.00 0.00 N ATOM 224 CA ILE A 20 1.086 0.693 -10.107 1.00 0.00 C ATOM 225 C ILE A 20 0.044 1.562 -9.411 1.00 0.00 C ATOM 226 O ILE A 20 -0.209 1.408 -8.217 1.00 0.00 O ATOM 227 CB ILE A 20 0.609 -0.771 -10.093 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.529 -1.639 -10.953 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.828 -0.865 -10.584 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.468 -3.111 -10.609 1.00 0.00 C ATOM 0 H ILE A 20 2.579 0.156 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 20 1.197 1.021 -11.141 1.00 0.00 H new ATOM 0 HB ILE A 20 0.647 -1.140 -9.068 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.262 -1.508 -12.002 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.555 -1.290 -10.839 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.151 -1.906 -10.568 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.474 -0.275 -9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.890 -0.481 -11.602 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.146 -3.665 -11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.764 -3.254 -9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.451 -3.476 -10.751 1.00 0.00 H new ATOM 242 N GLU A 21 -0.557 2.475 -10.168 1.00 0.00 N ATOM 243 CA GLU A 21 -1.573 3.368 -9.623 1.00 0.00 C ATOM 244 C GLU A 21 -2.830 2.593 -9.238 1.00 0.00 C ATOM 245 O GLU A 21 -3.697 2.338 -10.075 1.00 0.00 O ATOM 246 CB GLU A 21 -1.924 4.457 -10.639 1.00 0.00 C ATOM 247 CG GLU A 21 -2.738 5.598 -10.052 1.00 0.00 C ATOM 248 CD GLU A 21 -1.868 6.697 -9.473 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.004 7.219 -10.208 1.00 0.00 O ATOM 250 OE2 GLU A 21 -2.051 7.036 -8.285 1.00 0.00 O ATOM 0 H GLU A 21 -0.358 2.615 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.166 3.835 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.003 4.859 -11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.482 4.009 -11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.380 6.018 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.393 5.209 -9.272 1.00 0.00 H new ATOM 257 N LEU A 22 -2.921 2.220 -7.966 1.00 0.00 N ATOM 258 CA LEU A 22 -4.071 1.473 -7.468 1.00 0.00 C ATOM 259 C LEU A 22 -5.258 2.399 -7.225 1.00 0.00 C ATOM 260 O LEU A 22 -5.109 3.482 -6.658 1.00 0.00 O ATOM 261 CB LEU A 22 -3.707 0.740 -6.176 1.00 0.00 C ATOM 262 CG LEU A 22 -2.823 -0.497 -6.332 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.512 -1.106 -4.974 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.492 -1.521 -7.237 1.00 0.00 C ATOM 0 H LEU A 22 -2.212 2.423 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.354 0.742 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.201 1.442 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.630 0.442 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.884 -0.192 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.882 -1.986 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.990 -0.374 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.441 -1.396 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.848 -2.395 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.446 -1.821 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.662 -1.082 -8.220 1.00 0.00 H new ATOM 276 N THR A 23 -6.439 1.966 -7.655 1.00 0.00 N ATOM 277 CA THR A 23 -7.652 2.755 -7.483 1.00 0.00 C ATOM 278 C THR A 23 -8.799 1.894 -6.967 1.00 0.00 C ATOM 279 O THR A 23 -8.779 0.667 -7.064 1.00 0.00 O ATOM 280 CB THR A 23 -8.080 3.423 -8.803 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.020 2.590 -9.491 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.875 3.680 -9.695 1.00 0.00 C ATOM 0 H THR A 23 -6.581 1.072 -8.125 1.00 0.00 H new ATOM 0 HA THR A 23 -7.424 3.529 -6.750 1.00 0.00 H new ATOM 0 HB THR A 23 -8.547 4.379 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.615 2.253 -10.317 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.202 4.152 -10.621 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.175 4.338 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.383 2.734 -9.924 1.00 0.00 H new ATOM 290 N PRO A 24 -9.826 2.549 -6.405 1.00 0.00 N ATOM 291 CA PRO A 24 -11.003 1.863 -5.864 1.00 0.00 C ATOM 292 C PRO A 24 -11.867 1.245 -6.957 1.00 0.00 C ATOM 293 O PRO A 24 -13.037 0.931 -6.734 1.00 0.00 O ATOM 294 CB PRO A 24 -11.765 2.979 -5.145 1.00 0.00 C ATOM 295 CG PRO A 24 -11.345 4.230 -5.835 1.00 0.00 C ATOM 296 CD PRO A 24 -9.917 4.011 -6.256 1.00 0.00 C ATOM 0 HA PRO A 24 -10.728 1.031 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.843 2.831 -5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.515 3.009 -4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.980 4.432 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.428 5.090 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.690 4.525 -7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.216 4.383 -5.509 1.00 0.00 H new ATOM 304 N SER A 25 -11.285 1.073 -8.140 1.00 0.00 N ATOM 305 CA SER A 25 -12.004 0.496 -9.269 1.00 0.00 C ATOM 306 C SER A 25 -11.293 -0.751 -9.786 1.00 0.00 C ATOM 307 O SER A 25 -11.901 -1.602 -10.434 1.00 0.00 O ATOM 308 CB SER A 25 -12.139 1.523 -10.394 1.00 0.00 C ATOM 309 OG SER A 25 -13.332 2.276 -10.258 1.00 0.00 O ATOM 0 H SER A 25 -10.317 1.325 -8.341 1.00 0.00 H new ATOM 0 HA SER A 25 -12.999 0.210 -8.927 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.279 2.193 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.135 1.014 -11.358 1.00 0.00 H new ATOM 0 HG SER A 25 -13.393 2.926 -10.988 1.00 0.00 H new ATOM 315 N ASN A 26 -10.000 -0.851 -9.495 1.00 0.00 N ATOM 316 CA ASN A 26 -9.204 -1.992 -9.930 1.00 0.00 C ATOM 317 C ASN A 26 -8.494 -2.644 -8.747 1.00 0.00 C ATOM 318 O ASN A 26 -8.050 -3.789 -8.830 1.00 0.00 O ATOM 319 CB ASN A 26 -8.177 -1.556 -10.977 1.00 0.00 C ATOM 320 CG ASN A 26 -7.692 -0.136 -10.754 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.353 0.826 -11.145 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.531 0.000 -10.124 1.00 0.00 N ATOM 0 H ASN A 26 -9.481 -0.155 -8.959 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.878 -2.724 -10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.326 -2.236 -10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.619 -1.635 -11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.153 0.931 -9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.017 -0.826 -9.818 1.00 0.00 H new ATOM 329 N PHE A 27 -8.392 -1.906 -7.646 1.00 0.00 N ATOM 330 CA PHE A 27 -7.737 -2.411 -6.446 1.00 0.00 C ATOM 331 C PHE A 27 -8.025 -3.897 -6.253 1.00 0.00 C ATOM 332 O PHE A 27 -7.204 -4.633 -5.706 1.00 0.00 O ATOM 333 CB PHE A 27 -8.201 -1.627 -5.217 1.00 0.00 C ATOM 334 CG PHE A 27 -7.422 -1.944 -3.973 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.509 -3.196 -3.385 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.601 -0.991 -3.391 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.793 -3.491 -2.240 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.882 -1.281 -2.247 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.979 -2.532 -1.670 1.00 0.00 C ATOM 0 H PHE A 27 -8.755 -0.956 -7.561 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.662 -2.280 -6.568 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.119 -0.560 -5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.256 -1.837 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.144 -3.950 -3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.522 -0.010 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.870 -4.470 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.245 -0.530 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.419 -2.760 -0.775 1.00 0.00 H new ATOM 349 N ASN A 28 -9.197 -4.330 -6.705 1.00 0.00 N ATOM 350 CA ASN A 28 -9.595 -5.728 -6.582 1.00 0.00 C ATOM 351 C ASN A 28 -9.062 -6.550 -7.751 1.00 0.00 C ATOM 352 O ASN A 28 -8.586 -7.671 -7.569 1.00 0.00 O ATOM 353 CB ASN A 28 -11.119 -5.842 -6.516 1.00 0.00 C ATOM 354 CG ASN A 28 -11.576 -7.199 -6.017 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.776 -7.396 -4.818 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.745 -8.142 -6.936 1.00 0.00 N ATOM 0 H ASN A 28 -9.888 -3.733 -7.160 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.168 -6.122 -5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.511 -5.066 -5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.537 -5.662 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.052 -9.074 -6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.567 -7.934 -7.919 1.00 0.00 H new ATOM 363 N ARG A 29 -9.145 -5.986 -8.952 1.00 0.00 N ATOM 364 CA ARG A 29 -8.673 -6.666 -10.151 1.00 0.00 C ATOM 365 C ARG A 29 -7.156 -6.557 -10.276 1.00 0.00 C ATOM 366 O ARG A 29 -6.552 -7.158 -11.164 1.00 0.00 O ATOM 367 CB ARG A 29 -9.341 -6.077 -11.395 1.00 0.00 C ATOM 368 CG ARG A 29 -10.710 -6.668 -11.687 1.00 0.00 C ATOM 369 CD ARG A 29 -11.807 -5.932 -10.933 1.00 0.00 C ATOM 370 NE ARG A 29 -12.086 -4.621 -11.514 1.00 0.00 N ATOM 371 CZ ARG A 29 -12.912 -4.432 -12.538 1.00 0.00 C ATOM 372 NH1 ARG A 29 -13.536 -5.463 -13.090 1.00 0.00 N ATOM 373 NH2 ARG A 29 -13.115 -3.209 -13.010 1.00 0.00 N ATOM 0 H ARG A 29 -9.535 -5.059 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.940 -7.720 -10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.439 -4.999 -11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.693 -6.239 -12.256 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.908 -6.620 -12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.720 -7.722 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.717 -6.532 -10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.512 -5.811 -9.891 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.622 -3.807 -11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.383 -6.405 -12.729 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.169 -5.315 -13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.637 -2.413 -12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.749 -3.064 -13.796 1.00 0.00 H new ATOM 387 N GLU A 30 -6.547 -5.786 -9.380 1.00 0.00 N ATOM 388 CA GLU A 30 -5.101 -5.598 -9.391 1.00 0.00 C ATOM 389 C GLU A 30 -4.446 -6.346 -8.233 1.00 0.00 C ATOM 390 O GLU A 30 -3.450 -7.046 -8.416 1.00 0.00 O ATOM 391 CB GLU A 30 -4.758 -4.109 -9.310 1.00 0.00 C ATOM 392 CG GLU A 30 -4.666 -3.431 -10.667 1.00 0.00 C ATOM 393 CD GLU A 30 -3.328 -3.658 -11.343 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.697 -4.702 -11.074 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.911 -2.792 -12.140 1.00 0.00 O ATOM 0 H GLU A 30 -7.032 -5.282 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.715 -6.002 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.515 -3.603 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.808 -3.991 -8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.462 -3.805 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.831 -2.360 -10.546 1.00 0.00 H new ATOM 402 N VAL A 31 -5.012 -6.191 -7.041 1.00 0.00 N ATOM 403 CA VAL A 31 -4.485 -6.851 -5.852 1.00 0.00 C ATOM 404 C VAL A 31 -5.315 -8.077 -5.490 1.00 0.00 C ATOM 405 O VAL A 31 -4.828 -9.206 -5.541 1.00 0.00 O ATOM 406 CB VAL A 31 -4.450 -5.893 -4.647 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.906 -6.602 -3.416 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.622 -4.659 -4.971 1.00 0.00 C ATOM 0 H VAL A 31 -5.836 -5.614 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.467 -7.162 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.469 -5.572 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.889 -5.909 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.545 -7.451 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.894 -6.954 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.608 -3.993 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.603 -4.958 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.061 -4.140 -5.823 1.00 0.00 H new ATOM 418 N ILE A 32 -6.572 -7.846 -5.125 1.00 0.00 N ATOM 419 CA ILE A 32 -7.471 -8.932 -4.755 1.00 0.00 C ATOM 420 C ILE A 32 -7.449 -10.043 -5.800 1.00 0.00 C ATOM 421 O ILE A 32 -7.591 -11.220 -5.471 1.00 0.00 O ATOM 422 CB ILE A 32 -8.917 -8.432 -4.584 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.963 -7.267 -3.594 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.818 -9.566 -4.118 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.565 -7.653 -2.187 1.00 0.00 C ATOM 0 H ILE A 32 -6.990 -6.917 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.116 -9.325 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.280 -8.079 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.301 -6.476 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.972 -6.855 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.837 -9.197 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.805 -10.368 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.459 -9.947 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.621 -6.778 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.242 -8.423 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.545 -8.037 -2.190 1.00 0.00 H new ATOM 437 N GLN A 33 -7.270 -9.660 -7.060 1.00 0.00 N ATOM 438 CA GLN A 33 -7.228 -10.624 -8.153 1.00 0.00 C ATOM 439 C GLN A 33 -5.790 -11.001 -8.492 1.00 0.00 C ATOM 440 O GLN A 33 -5.478 -11.330 -9.636 1.00 0.00 O ATOM 441 CB GLN A 33 -7.924 -10.054 -9.390 1.00 0.00 C ATOM 442 CG GLN A 33 -9.438 -10.001 -9.266 1.00 0.00 C ATOM 443 CD GLN A 33 -9.991 -11.103 -8.384 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.235 -10.783 -7.119 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -10.196 -12.231 -8.834 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.152 -8.689 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.753 -11.523 -7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.548 -9.048 -9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.660 -10.660 -10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.732 -9.033 -8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.883 -10.078 -10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.994 -12.434 -9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.568 -12.962 -8.228 1.00 0.00 H new ATOM 454 N SER A 34 -4.918 -10.950 -7.490 1.00 0.00 N ATOM 455 CA SER A 34 -3.511 -11.282 -7.683 1.00 0.00 C ATOM 456 C SER A 34 -3.121 -12.499 -6.850 1.00 0.00 C ATOM 457 O SER A 34 -3.265 -12.500 -5.627 1.00 0.00 O ATOM 458 CB SER A 34 -2.628 -10.090 -7.311 1.00 0.00 C ATOM 459 OG SER A 34 -1.336 -10.215 -7.879 1.00 0.00 O ATOM 0 H SER A 34 -5.161 -10.682 -6.536 1.00 0.00 H new ATOM 0 HA SER A 34 -3.361 -11.521 -8.736 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.093 -9.167 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.546 -10.018 -6.226 1.00 0.00 H new ATOM 0 HG SER A 34 -0.705 -9.650 -7.385 1.00 0.00 H new ATOM 465 N ASP A 35 -2.626 -13.533 -7.520 1.00 0.00 N ATOM 466 CA ASP A 35 -2.213 -14.757 -6.843 1.00 0.00 C ATOM 467 C ASP A 35 -0.797 -14.622 -6.293 1.00 0.00 C ATOM 468 O ASP A 35 -0.119 -15.619 -6.046 1.00 0.00 O ATOM 469 CB ASP A 35 -2.291 -15.947 -7.801 1.00 0.00 C ATOM 470 CG ASP A 35 -2.533 -17.257 -7.078 1.00 0.00 C ATOM 471 OD1 ASP A 35 -2.206 -17.340 -5.876 1.00 0.00 O ATOM 472 OD2 ASP A 35 -3.050 -18.200 -7.714 1.00 0.00 O ATOM 0 H ASP A 35 -2.501 -13.548 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.893 -14.928 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.093 -15.779 -8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.363 -16.015 -8.368 1.00 0.00 H new ATOM 477 N GLY A 36 -0.355 -13.382 -6.106 1.00 0.00 N ATOM 478 CA GLY A 36 0.979 -13.140 -5.588 1.00 0.00 C ATOM 479 C GLY A 36 0.983 -12.158 -4.433 1.00 0.00 C ATOM 480 O GLY A 36 0.001 -12.048 -3.698 1.00 0.00 O ATOM 0 H GLY A 36 -0.897 -12.541 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.415 -14.084 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.612 -12.757 -6.388 1.00 0.00 H new ATOM 484 N LEU A 37 2.091 -11.444 -4.271 1.00 0.00 N ATOM 485 CA LEU A 37 2.220 -10.466 -3.195 1.00 0.00 C ATOM 486 C LEU A 37 1.992 -9.051 -3.715 1.00 0.00 C ATOM 487 O LEU A 37 2.451 -8.696 -4.801 1.00 0.00 O ATOM 488 CB LEU A 37 3.604 -10.568 -2.551 1.00 0.00 C ATOM 489 CG LEU A 37 3.682 -10.200 -1.069 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.059 -11.291 -0.213 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.127 -9.956 -0.656 1.00 0.00 C ATOM 0 H LEU A 37 2.913 -11.523 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 37 1.459 -10.684 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.964 -11.590 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.288 -9.922 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 37 3.119 -9.280 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.124 -11.010 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.013 -11.418 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.593 -12.228 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.164 -9.695 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.712 -10.860 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.541 -9.138 -1.246 1.00 0.00 H new ATOM 503 N TRP A 38 1.282 -8.246 -2.933 1.00 0.00 N ATOM 504 CA TRP A 38 0.995 -6.868 -3.314 1.00 0.00 C ATOM 505 C TRP A 38 1.320 -5.909 -2.174 1.00 0.00 C ATOM 506 O TRP A 38 0.900 -6.119 -1.034 1.00 0.00 O ATOM 507 CB TRP A 38 -0.474 -6.724 -3.715 1.00 0.00 C ATOM 508 CG TRP A 38 -0.692 -6.773 -5.197 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.971 -7.879 -5.948 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.648 -5.668 -6.107 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.103 -7.528 -7.270 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.910 -6.178 -7.394 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.414 -4.299 -5.960 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.943 -5.365 -8.524 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.447 -3.493 -7.082 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.710 -4.027 -8.350 1.00 0.00 C ATOM 0 H TRP A 38 0.894 -8.524 -2.031 1.00 0.00 H new ATOM 0 HA TRP A 38 1.624 -6.614 -4.167 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.052 -7.519 -3.243 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.858 -5.779 -3.329 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.073 -8.882 -5.560 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.311 -8.169 -8.035 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.211 -3.878 -4.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.145 -5.775 -9.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.267 -2.433 -6.979 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.729 -3.370 -9.207 1.00 0.00 H new ATOM 527 N LEU A 39 2.068 -4.857 -2.486 1.00 0.00 N ATOM 528 CA LEU A 39 2.449 -3.865 -1.487 1.00 0.00 C ATOM 529 C LEU A 39 1.778 -2.524 -1.767 1.00 0.00 C ATOM 530 O LEU A 39 2.223 -1.763 -2.626 1.00 0.00 O ATOM 531 CB LEU A 39 3.969 -3.693 -1.464 1.00 0.00 C ATOM 532 CG LEU A 39 4.728 -4.565 -0.463 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.222 -4.523 -0.745 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.439 -4.116 0.962 1.00 0.00 C ATOM 0 H LEU A 39 2.423 -4.669 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 39 2.115 -4.221 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.353 -3.902 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.193 -2.648 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 39 4.387 -5.594 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.746 -5.149 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.413 -4.893 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.579 -3.497 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.987 -4.748 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.752 -3.079 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.370 -4.199 1.160 1.00 0.00 H new ATOM 546 N VAL A 40 0.705 -2.240 -1.035 1.00 0.00 N ATOM 547 CA VAL A 40 -0.025 -0.990 -1.202 1.00 0.00 C ATOM 548 C VAL A 40 0.317 -0.001 -0.094 1.00 0.00 C ATOM 549 O VAL A 40 0.170 -0.305 1.090 1.00 0.00 O ATOM 550 CB VAL A 40 -1.547 -1.226 -1.212 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.283 0.047 -1.602 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.903 -2.367 -2.155 1.00 0.00 C ATOM 0 H VAL A 40 0.323 -2.859 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 40 0.277 -0.573 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.860 -1.504 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.357 -0.140 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.053 0.835 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.968 0.359 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.982 -2.520 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.577 -2.120 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.406 -3.279 -1.826 1.00 0.00 H new ATOM 562 N GLU A 41 0.773 1.184 -0.486 1.00 0.00 N ATOM 563 CA GLU A 41 1.137 2.219 0.476 1.00 0.00 C ATOM 564 C GLU A 41 0.217 3.429 0.347 1.00 0.00 C ATOM 565 O GLU A 41 0.177 4.085 -0.694 1.00 0.00 O ATOM 566 CB GLU A 41 2.592 2.646 0.273 1.00 0.00 C ATOM 567 CG GLU A 41 2.863 4.088 0.668 1.00 0.00 C ATOM 568 CD GLU A 41 2.889 5.025 -0.524 1.00 0.00 C ATOM 569 OE1 GLU A 41 2.306 4.669 -1.570 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.492 6.112 -0.411 1.00 0.00 O ATOM 0 H GLU A 41 0.899 1.452 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 41 1.024 1.804 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.239 1.991 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.860 2.508 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.096 4.419 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.818 4.144 1.190 1.00 0.00 H new ATOM 577 N PHE A 42 -0.522 3.719 1.413 1.00 0.00 N ATOM 578 CA PHE A 42 -1.444 4.849 1.420 1.00 0.00 C ATOM 579 C PHE A 42 -0.715 6.143 1.771 1.00 0.00 C ATOM 580 O PHE A 42 -0.313 6.351 2.916 1.00 0.00 O ATOM 581 CB PHE A 42 -2.579 4.603 2.416 1.00 0.00 C ATOM 582 CG PHE A 42 -3.384 3.371 2.116 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.870 2.111 2.377 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.654 3.473 1.572 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.608 0.976 2.102 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.397 2.341 1.296 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.873 1.091 1.560 1.00 0.00 C ATOM 0 H PHE A 42 -0.500 3.187 2.283 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.864 4.949 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.160 4.518 3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.242 5.468 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.881 2.015 2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.068 4.448 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.196 -0.000 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.387 2.434 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.451 0.205 1.343 1.00 0.00 H new ATOM 597 N TYR A 43 -0.549 7.009 0.778 1.00 0.00 N ATOM 598 CA TYR A 43 0.134 8.282 0.979 1.00 0.00 C ATOM 599 C TYR A 43 -0.834 9.450 0.823 1.00 0.00 C ATOM 600 O TYR A 43 -2.004 9.261 0.491 1.00 0.00 O ATOM 601 CB TYR A 43 1.290 8.427 -0.011 1.00 0.00 C ATOM 602 CG TYR A 43 0.843 8.719 -1.426 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.481 10.004 -1.809 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.781 7.709 -2.378 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.071 10.276 -3.100 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.373 7.972 -3.672 1.00 0.00 C ATOM 607 CZ TYR A 43 0.019 9.257 -4.028 1.00 0.00 C ATOM 608 OH TYR A 43 -0.389 9.522 -5.315 1.00 0.00 O ATOM 0 H TYR A 43 -0.878 6.853 -0.175 1.00 0.00 H new ATOM 0 HA TYR A 43 0.531 8.296 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.947 9.228 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.878 7.509 -0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.521 10.804 -1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.056 6.702 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.207 11.281 -3.381 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.332 7.176 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.368 8.696 -5.842 1.00 0.00 H new ATOM 618 N ALA A 44 -0.336 10.659 1.064 1.00 0.00 N ATOM 619 CA ALA A 44 -1.155 11.859 0.948 1.00 0.00 C ATOM 620 C ALA A 44 -0.410 12.961 0.202 1.00 0.00 C ATOM 621 O ALA A 44 0.658 13.411 0.616 1.00 0.00 O ATOM 622 CB ALA A 44 -1.579 12.344 2.326 1.00 0.00 C ATOM 0 H ALA A 44 0.630 10.833 1.341 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.047 11.607 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.190 13.241 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.157 11.566 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.694 12.574 2.919 1.00 0.00 H new ATOM 628 N PRO A 45 -0.985 13.408 -0.924 1.00 0.00 N ATOM 629 CA PRO A 45 -0.392 14.463 -1.751 1.00 0.00 C ATOM 630 C PRO A 45 -0.438 15.827 -1.071 1.00 0.00 C ATOM 631 O PRO A 45 -0.090 16.843 -1.673 1.00 0.00 O ATOM 632 CB PRO A 45 -1.266 14.462 -3.008 1.00 0.00 C ATOM 633 CG PRO A 45 -2.576 13.914 -2.558 1.00 0.00 C ATOM 634 CD PRO A 45 -2.258 12.917 -1.477 1.00 0.00 C ATOM 0 HA PRO A 45 0.664 14.280 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.376 15.467 -3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.828 13.847 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.222 14.707 -2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.105 13.439 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.040 12.884 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.160 11.908 -1.877 1.00 0.00 H new ATOM 642 N TRP A 46 -0.869 15.842 0.185 1.00 0.00 N ATOM 643 CA TRP A 46 -0.959 17.082 0.947 1.00 0.00 C ATOM 644 C TRP A 46 -0.070 17.028 2.184 1.00 0.00 C ATOM 645 O TRP A 46 0.181 18.049 2.825 1.00 0.00 O ATOM 646 CB TRP A 46 -2.409 17.349 1.357 1.00 0.00 C ATOM 647 CG TRP A 46 -3.034 16.209 2.102 1.00 0.00 C ATOM 648 CD1 TRP A 46 -4.003 15.363 1.642 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.735 15.791 3.438 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.325 14.445 2.613 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.560 14.686 3.724 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.850 16.242 4.421 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.525 14.028 4.951 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.816 15.589 5.638 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.649 14.491 5.894 1.00 0.00 C ATOM 0 H TRP A 46 -1.162 15.010 0.697 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.613 17.896 0.310 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.445 18.243 1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.999 17.558 0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.450 15.409 0.660 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -5.021 13.705 2.521 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.204 17.087 4.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.167 13.182 5.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.136 15.930 6.405 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.598 14.001 6.855 1.00 0.00 H new ATOM 666 N CYS A 47 0.403 15.831 2.515 1.00 0.00 N ATOM 667 CA CYS A 47 1.264 15.644 3.677 1.00 0.00 C ATOM 668 C CYS A 47 2.731 15.833 3.303 1.00 0.00 C ATOM 669 O CYS A 47 3.056 16.120 2.152 1.00 0.00 O ATOM 670 CB CYS A 47 1.053 14.252 4.275 1.00 0.00 C ATOM 671 SG CYS A 47 1.235 14.186 6.073 1.00 0.00 S ATOM 0 H CYS A 47 0.205 14.976 1.995 1.00 0.00 H new ATOM 0 HA CYS A 47 0.998 16.395 4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.056 13.901 4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.766 13.562 3.823 1.00 0.00 H new ATOM 0 HG CYS A 47 1.887 13.111 6.404 1.00 0.00 H new ATOM 677 N GLY A 48 3.612 15.671 4.285 1.00 0.00 N ATOM 678 CA GLY A 48 5.034 15.830 4.040 1.00 0.00 C ATOM 679 C GLY A 48 5.763 14.502 3.975 1.00 0.00 C ATOM 680 O GLY A 48 6.254 14.106 2.918 1.00 0.00 O ATOM 0 H GLY A 48 3.367 15.432 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.180 16.368 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.470 16.442 4.830 1.00 0.00 H new ATOM 684 N HIS A 49 5.835 13.813 5.109 1.00 0.00 N ATOM 685 CA HIS A 49 6.510 12.522 5.178 1.00 0.00 C ATOM 686 C HIS A 49 6.043 11.604 4.053 1.00 0.00 C ATOM 687 O HIS A 49 6.703 10.615 3.731 1.00 0.00 O ATOM 688 CB HIS A 49 6.255 11.860 6.532 1.00 0.00 C ATOM 689 CG HIS A 49 4.827 11.938 6.977 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.456 12.281 8.260 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.675 11.717 6.301 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.138 12.266 8.354 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.641 11.927 7.179 1.00 0.00 N ATOM 0 H HIS A 49 5.434 14.127 5.993 1.00 0.00 H new ATOM 0 HA HIS A 49 7.580 12.693 5.063 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.553 10.813 6.477 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.888 12.333 7.283 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.099 12.510 9.018 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.586 11.429 5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.565 12.493 9.241 1.00 0.00 H new ATOM 702 N CYS A 50 4.901 11.936 3.461 1.00 0.00 N ATOM 703 CA CYS A 50 4.344 11.140 2.373 1.00 0.00 C ATOM 704 C CYS A 50 4.963 11.537 1.036 1.00 0.00 C ATOM 705 O CYS A 50 5.388 10.682 0.260 1.00 0.00 O ATOM 706 CB CYS A 50 2.825 11.309 2.315 1.00 0.00 C ATOM 707 SG CYS A 50 1.924 10.299 3.514 1.00 0.00 S ATOM 0 H CYS A 50 4.343 12.751 3.716 1.00 0.00 H new ATOM 0 HA CYS A 50 4.579 10.093 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.580 12.358 2.483 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.480 11.057 1.312 1.00 0.00 H new ATOM 0 HG CYS A 50 1.325 11.073 4.370 1.00 0.00 H new ATOM 713 N GLN A 51 5.008 12.839 0.775 1.00 0.00 N ATOM 714 CA GLN A 51 5.573 13.349 -0.469 1.00 0.00 C ATOM 715 C GLN A 51 7.053 12.999 -0.579 1.00 0.00 C ATOM 716 O GLN A 51 7.613 12.962 -1.675 1.00 0.00 O ATOM 717 CB GLN A 51 5.388 14.865 -0.554 1.00 0.00 C ATOM 718 CG GLN A 51 3.932 15.301 -0.557 1.00 0.00 C ATOM 719 CD GLN A 51 3.767 16.786 -0.297 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.732 17.549 -0.352 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.540 17.204 -0.011 1.00 0.00 N ATOM 0 H GLN A 51 4.660 13.560 1.408 1.00 0.00 H new ATOM 0 HA GLN A 51 5.045 12.878 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.897 15.333 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.870 15.231 -1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.484 15.052 -1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.387 14.740 0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.769 16.537 0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.368 18.192 0.174 1.00 0.00 H new ATOM 730 N ARG A 52 7.682 12.742 0.564 1.00 0.00 N ATOM 731 CA ARG A 52 9.098 12.396 0.596 1.00 0.00 C ATOM 732 C ARG A 52 9.292 10.888 0.469 1.00 0.00 C ATOM 733 O ARG A 52 10.415 10.406 0.313 1.00 0.00 O ATOM 734 CB ARG A 52 9.738 12.896 1.892 1.00 0.00 C ATOM 735 CG ARG A 52 9.095 12.329 3.147 1.00 0.00 C ATOM 736 CD ARG A 52 9.759 11.029 3.575 1.00 0.00 C ATOM 737 NE ARG A 52 11.077 11.255 4.161 1.00 0.00 N ATOM 738 CZ ARG A 52 11.688 10.382 4.954 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.103 9.231 5.254 1.00 0.00 N ATOM 740 NH2 ARG A 52 12.888 10.660 5.449 1.00 0.00 N ATOM 0 H ARG A 52 7.233 12.767 1.480 1.00 0.00 H new ATOM 0 HA ARG A 52 9.584 12.880 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.797 12.637 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.676 13.984 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.166 13.058 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.034 12.155 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.123 10.518 4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.854 10.369 2.712 1.00 0.00 H new ATOM 0 HE ARG A 52 11.555 12.131 3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.181 9.014 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.575 8.563 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.342 11.545 5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.356 9.989 6.058 1.00 0.00 H new ATOM 754 N LEU A 53 8.191 10.147 0.538 1.00 0.00 N ATOM 755 CA LEU A 53 8.239 8.693 0.431 1.00 0.00 C ATOM 756 C LEU A 53 7.977 8.243 -1.002 1.00 0.00 C ATOM 757 O LEU A 53 7.829 7.051 -1.274 1.00 0.00 O ATOM 758 CB LEU A 53 7.214 8.059 1.373 1.00 0.00 C ATOM 759 CG LEU A 53 7.307 6.542 1.542 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.642 6.154 2.159 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.155 6.029 2.394 1.00 0.00 C ATOM 0 H LEU A 53 7.254 10.529 0.668 1.00 0.00 H new ATOM 0 HA LEU A 53 9.238 8.365 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.318 8.521 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.216 8.304 1.010 1.00 0.00 H new ATOM 0 HG LEU A 53 7.238 6.081 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.690 5.071 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.453 6.488 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.741 6.625 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.237 4.948 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.193 6.498 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.209 6.274 1.912 1.00 0.00 H new ATOM 773 N THR A 54 7.921 9.205 -1.918 1.00 0.00 N ATOM 774 CA THR A 54 7.678 8.909 -3.325 1.00 0.00 C ATOM 775 C THR A 54 8.818 8.090 -3.919 1.00 0.00 C ATOM 776 O THR A 54 8.607 7.054 -4.551 1.00 0.00 O ATOM 777 CB THR A 54 7.503 10.198 -4.149 1.00 0.00 C ATOM 778 OG1 THR A 54 7.010 11.251 -3.313 1.00 0.00 O ATOM 779 CG2 THR A 54 6.545 9.973 -5.308 1.00 0.00 C ATOM 0 H THR A 54 8.041 10.196 -1.711 1.00 0.00 H new ATOM 0 HA THR A 54 6.756 8.330 -3.371 1.00 0.00 H new ATOM 0 HB THR A 54 8.476 10.480 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.764 11.719 -2.897 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.437 10.897 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.938 9.192 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.572 9.669 -4.922 1.00 0.00 H new ATOM 787 N PRO A 55 10.057 8.561 -3.713 1.00 0.00 N ATOM 788 CA PRO A 55 11.255 7.887 -4.220 1.00 0.00 C ATOM 789 C PRO A 55 11.530 6.572 -3.497 1.00 0.00 C ATOM 790 O PRO A 55 11.710 5.532 -4.130 1.00 0.00 O ATOM 791 CB PRO A 55 12.374 8.894 -3.942 1.00 0.00 C ATOM 792 CG PRO A 55 11.874 9.708 -2.799 1.00 0.00 C ATOM 793 CD PRO A 55 10.382 9.789 -2.969 1.00 0.00 C ATOM 0 HA PRO A 55 11.157 7.618 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.307 8.390 -3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.573 9.516 -4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.134 9.245 -1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.322 10.702 -2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.869 9.824 -2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.088 10.682 -3.520 1.00 0.00 H new ATOM 801 N GLU A 56 11.559 6.627 -2.169 1.00 0.00 N ATOM 802 CA GLU A 56 11.813 5.440 -1.362 1.00 0.00 C ATOM 803 C GLU A 56 10.883 4.299 -1.766 1.00 0.00 C ATOM 804 O GLU A 56 11.301 3.144 -1.849 1.00 0.00 O ATOM 805 CB GLU A 56 11.631 5.758 0.124 1.00 0.00 C ATOM 806 CG GLU A 56 12.745 6.613 0.703 1.00 0.00 C ATOM 807 CD GLU A 56 12.417 8.093 0.679 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.417 8.489 1.316 1.00 0.00 O ATOM 809 OE2 GLU A 56 13.157 8.856 0.024 1.00 0.00 O ATOM 0 H GLU A 56 11.410 7.480 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 56 12.842 5.127 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.680 6.272 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.573 4.824 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.938 6.304 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.662 6.439 0.140 1.00 0.00 H new ATOM 816 N TRP A 57 9.622 4.631 -2.015 1.00 0.00 N ATOM 817 CA TRP A 57 8.633 3.635 -2.410 1.00 0.00 C ATOM 818 C TRP A 57 8.851 3.192 -3.852 1.00 0.00 C ATOM 819 O TRP A 57 8.886 1.997 -4.147 1.00 0.00 O ATOM 820 CB TRP A 57 7.219 4.196 -2.244 1.00 0.00 C ATOM 821 CG TRP A 57 6.157 3.139 -2.245 1.00 0.00 C ATOM 822 CD1 TRP A 57 5.083 3.057 -3.086 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.065 2.015 -1.363 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.329 1.950 -2.779 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.911 1.293 -1.727 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.846 1.547 -0.304 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.521 0.131 -1.066 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.458 0.393 0.351 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.305 -0.304 -0.032 1.00 0.00 C ATOM 0 H TRP A 57 9.260 5.582 -1.950 1.00 0.00 H new ATOM 0 HA TRP A 57 8.751 2.767 -1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.165 4.755 -1.310 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.019 4.902 -3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.860 3.759 -3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.475 1.664 -3.257 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.737 2.077 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.632 -0.408 -1.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.054 0.023 1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.029 -1.203 0.499 1.00 0.00 H new ATOM 840 N LYS A 58 8.999 4.162 -4.748 1.00 0.00 N ATOM 841 CA LYS A 58 9.217 3.873 -6.161 1.00 0.00 C ATOM 842 C LYS A 58 10.332 2.848 -6.341 1.00 0.00 C ATOM 843 O LYS A 58 10.164 1.848 -7.040 1.00 0.00 O ATOM 844 CB LYS A 58 9.562 5.157 -6.918 1.00 0.00 C ATOM 845 CG LYS A 58 8.351 6.010 -7.252 1.00 0.00 C ATOM 846 CD LYS A 58 8.759 7.377 -7.776 1.00 0.00 C ATOM 847 CE LYS A 58 7.549 8.270 -8.005 1.00 0.00 C ATOM 848 NZ LYS A 58 7.946 9.665 -8.344 1.00 0.00 N ATOM 0 H LYS A 58 8.972 5.156 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 58 8.296 3.456 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.257 5.746 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.078 4.897 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.741 5.501 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.733 6.130 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.435 7.853 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.309 7.261 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.942 7.859 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.928 8.277 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.094 10.242 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.504 10.066 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.518 9.662 -9.213 1.00 0.00 H new ATOM 862 N LYS A 59 11.471 3.102 -5.705 1.00 0.00 N ATOM 863 CA LYS A 59 12.614 2.201 -5.792 1.00 0.00 C ATOM 864 C LYS A 59 12.191 0.759 -5.530 1.00 0.00 C ATOM 865 O LYS A 59 12.487 -0.138 -6.320 1.00 0.00 O ATOM 866 CB LYS A 59 13.694 2.616 -4.791 1.00 0.00 C ATOM 867 CG LYS A 59 14.623 3.699 -5.313 1.00 0.00 C ATOM 868 CD LYS A 59 15.725 4.017 -4.317 1.00 0.00 C ATOM 869 CE LYS A 59 15.244 4.979 -3.242 1.00 0.00 C ATOM 870 NZ LYS A 59 16.289 5.224 -2.209 1.00 0.00 N ATOM 0 H LYS A 59 11.627 3.925 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 59 13.019 2.265 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.215 2.969 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.285 1.740 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.065 3.377 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.049 4.602 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.074 3.095 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.576 4.451 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.959 5.925 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.351 4.575 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.922 5.885 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.543 4.325 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.132 5.634 -2.659 1.00 0.00 H new ATOM 884 N ALA A 60 11.497 0.543 -4.418 1.00 0.00 N ATOM 885 CA ALA A 60 11.031 -0.789 -4.055 1.00 0.00 C ATOM 886 C ALA A 60 10.174 -1.392 -5.163 1.00 0.00 C ATOM 887 O ALA A 60 10.179 -2.604 -5.374 1.00 0.00 O ATOM 888 CB ALA A 60 10.250 -0.738 -2.750 1.00 0.00 C ATOM 0 H ALA A 60 11.245 1.274 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 60 11.904 -1.427 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.908 -1.740 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.893 -0.358 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.389 -0.080 -2.867 1.00 0.00 H new ATOM 894 N ALA A 61 9.438 -0.538 -5.866 1.00 0.00 N ATOM 895 CA ALA A 61 8.577 -0.986 -6.953 1.00 0.00 C ATOM 896 C ALA A 61 9.400 -1.476 -8.140 1.00 0.00 C ATOM 897 O ALA A 61 9.093 -2.506 -8.740 1.00 0.00 O ATOM 898 CB ALA A 61 7.642 0.135 -7.383 1.00 0.00 C ATOM 0 H ALA A 61 9.421 0.469 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 61 7.980 -1.822 -6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.005 -0.214 -8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.021 0.435 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.229 0.988 -7.723 1.00 0.00 H new ATOM 904 N THR A 62 10.448 -0.729 -8.475 1.00 0.00 N ATOM 905 CA THR A 62 11.315 -1.086 -9.591 1.00 0.00 C ATOM 906 C THR A 62 11.976 -2.440 -9.363 1.00 0.00 C ATOM 907 O THR A 62 12.080 -3.254 -10.280 1.00 0.00 O ATOM 908 CB THR A 62 12.409 -0.024 -9.815 1.00 0.00 C ATOM 909 OG1 THR A 62 11.809 1.253 -10.058 1.00 0.00 O ATOM 910 CG2 THR A 62 13.299 -0.404 -10.988 1.00 0.00 C ATOM 0 H THR A 62 10.716 0.127 -7.989 1.00 0.00 H new ATOM 0 HA THR A 62 10.683 -1.138 -10.478 1.00 0.00 H new ATOM 0 HB THR A 62 13.023 0.029 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.511 1.923 -10.198 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.064 0.360 -11.127 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.777 -1.363 -10.787 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.695 -0.482 -11.892 1.00 0.00 H new ATOM 918 N ALA A 63 12.423 -2.676 -8.133 1.00 0.00 N ATOM 919 CA ALA A 63 13.072 -3.933 -7.784 1.00 0.00 C ATOM 920 C ALA A 63 12.051 -5.055 -7.634 1.00 0.00 C ATOM 921 O ALA A 63 12.241 -6.156 -8.154 1.00 0.00 O ATOM 922 CB ALA A 63 13.876 -3.774 -6.502 1.00 0.00 C ATOM 0 H ALA A 63 12.347 -2.012 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 63 13.750 -4.200 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.355 -4.721 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.638 -3.008 -6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.211 -3.480 -5.690 1.00 0.00 H new ATOM 928 N LEU A 64 10.967 -4.771 -6.921 1.00 0.00 N ATOM 929 CA LEU A 64 9.914 -5.757 -6.702 1.00 0.00 C ATOM 930 C LEU A 64 8.901 -5.734 -7.841 1.00 0.00 C ATOM 931 O LEU A 64 7.875 -6.414 -7.789 1.00 0.00 O ATOM 932 CB LEU A 64 9.209 -5.492 -5.371 1.00 0.00 C ATOM 933 CG LEU A 64 10.117 -5.187 -4.179 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.361 -4.401 -3.119 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.677 -6.475 -3.592 1.00 0.00 C ATOM 0 H LEU A 64 10.794 -3.866 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 64 10.375 -6.744 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.526 -4.653 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.601 -6.363 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 64 10.950 -4.577 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.023 -4.193 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.009 -3.461 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.508 -4.984 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.321 -6.239 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.856 -7.110 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.256 -7.000 -4.352 1.00 0.00 H new ATOM 947 N LYS A 65 9.195 -4.948 -8.872 1.00 0.00 N ATOM 948 CA LYS A 65 8.312 -4.838 -10.027 1.00 0.00 C ATOM 949 C LYS A 65 7.892 -6.217 -10.524 1.00 0.00 C ATOM 950 O LYS A 65 6.711 -6.466 -10.770 1.00 0.00 O ATOM 951 CB LYS A 65 9.005 -4.067 -11.153 1.00 0.00 C ATOM 952 CG LYS A 65 8.511 -4.442 -12.539 1.00 0.00 C ATOM 953 CD LYS A 65 9.339 -3.774 -13.625 1.00 0.00 C ATOM 954 CE LYS A 65 10.546 -4.618 -14.004 1.00 0.00 C ATOM 955 NZ LYS A 65 10.948 -4.406 -15.422 1.00 0.00 N ATOM 0 H LYS A 65 10.039 -4.378 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 65 7.418 -4.295 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.852 -2.999 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.079 -4.247 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.554 -5.524 -12.661 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.466 -4.150 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.719 -3.607 -14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.672 -2.795 -13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.382 -4.371 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.317 -5.672 -13.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.774 -4.999 -15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.160 -4.665 -16.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.192 -3.406 -15.568 1.00 0.00 H new ATOM 969 N ASP A 66 8.865 -7.110 -10.669 1.00 0.00 N ATOM 970 CA ASP A 66 8.595 -8.466 -11.134 1.00 0.00 C ATOM 971 C ASP A 66 8.414 -9.419 -9.957 1.00 0.00 C ATOM 972 O ASP A 66 7.820 -10.488 -10.096 1.00 0.00 O ATOM 973 CB ASP A 66 9.733 -8.955 -12.033 1.00 0.00 C ATOM 974 CG ASP A 66 9.593 -8.466 -13.461 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.938 -7.423 -13.670 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.140 -9.125 -14.369 1.00 0.00 O ATOM 0 H ASP A 66 9.847 -6.920 -10.471 1.00 0.00 H new ATOM 0 HA ASP A 66 7.669 -8.449 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.685 -8.614 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.755 -10.045 -12.026 1.00 0.00 H new ATOM 981 N VAL A 67 8.932 -9.025 -8.798 1.00 0.00 N ATOM 982 CA VAL A 67 8.828 -9.844 -7.596 1.00 0.00 C ATOM 983 C VAL A 67 7.500 -9.609 -6.885 1.00 0.00 C ATOM 984 O VAL A 67 6.637 -10.486 -6.854 1.00 0.00 O ATOM 985 CB VAL A 67 9.981 -9.553 -6.617 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.172 -10.716 -5.656 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.266 -9.263 -7.379 1.00 0.00 C ATOM 0 H VAL A 67 9.428 -8.144 -8.666 1.00 0.00 H new ATOM 0 HA VAL A 67 8.887 -10.885 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 67 9.725 -8.669 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.991 -10.492 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.256 -10.872 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.407 -11.619 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.070 -9.060 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.530 -10.126 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.120 -8.395 -8.022 1.00 0.00 H new ATOM 997 N VAL A 68 7.343 -8.419 -6.314 1.00 0.00 N ATOM 998 CA VAL A 68 6.120 -8.068 -5.603 1.00 0.00 C ATOM 999 C VAL A 68 5.472 -6.826 -6.205 1.00 0.00 C ATOM 1000 O VAL A 68 6.103 -5.774 -6.315 1.00 0.00 O ATOM 1001 CB VAL A 68 6.391 -7.818 -4.108 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.109 -7.420 -3.392 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.009 -9.051 -3.466 1.00 0.00 C ATOM 0 H VAL A 68 8.048 -7.682 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 68 5.441 -8.915 -5.705 1.00 0.00 H new ATOM 0 HB VAL A 68 7.100 -6.995 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.320 -7.247 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.712 -6.507 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.375 -8.220 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.194 -8.857 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.326 -9.894 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.951 -9.286 -3.962 1.00 0.00 H new ATOM 1013 N LYS A 69 4.208 -6.954 -6.594 1.00 0.00 N ATOM 1014 CA LYS A 69 3.472 -5.842 -7.184 1.00 0.00 C ATOM 1015 C LYS A 69 3.335 -4.692 -6.191 1.00 0.00 C ATOM 1016 O LYS A 69 2.475 -4.718 -5.310 1.00 0.00 O ATOM 1017 CB LYS A 69 2.086 -6.305 -7.639 1.00 0.00 C ATOM 1018 CG LYS A 69 2.115 -7.195 -8.869 1.00 0.00 C ATOM 1019 CD LYS A 69 2.021 -6.380 -10.149 1.00 0.00 C ATOM 1020 CE LYS A 69 2.324 -7.229 -11.373 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.423 -8.411 -11.467 1.00 0.00 N ATOM 0 H LYS A 69 3.672 -7.818 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 69 4.032 -5.487 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.606 -6.844 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.471 -5.430 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.035 -7.779 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.288 -7.904 -8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.021 -5.955 -10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.720 -5.545 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.219 -6.621 -12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.360 -7.565 -11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.545 -8.868 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.659 -9.088 -10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.435 -8.104 -11.360 1.00 0.00 H new ATOM 1035 N VAL A 70 4.187 -3.683 -6.339 1.00 0.00 N ATOM 1036 CA VAL A 70 4.160 -2.523 -5.457 1.00 0.00 C ATOM 1037 C VAL A 70 3.322 -1.398 -6.055 1.00 0.00 C ATOM 1038 O VAL A 70 3.762 -0.698 -6.965 1.00 0.00 O ATOM 1039 CB VAL A 70 5.580 -1.997 -5.177 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.527 -0.760 -4.293 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.433 -3.082 -4.539 1.00 0.00 C ATOM 0 H VAL A 70 4.905 -3.646 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 70 3.710 -2.849 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 70 6.039 -1.717 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.540 -0.403 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.953 0.020 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.050 -1.010 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.433 -2.693 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.980 -3.395 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.498 -3.936 -5.213 1.00 0.00 H new ATOM 1051 N GLY A 71 2.109 -1.231 -5.536 1.00 0.00 N ATOM 1052 CA GLY A 71 1.228 -0.189 -6.030 1.00 0.00 C ATOM 1053 C GLY A 71 1.254 1.053 -5.161 1.00 0.00 C ATOM 1054 O GLY A 71 2.212 1.282 -4.423 1.00 0.00 O ATOM 0 H GLY A 71 1.721 -1.799 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.519 0.076 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.209 -0.573 -6.080 1.00 0.00 H new ATOM 1058 N ALA A 72 0.200 1.858 -5.250 1.00 0.00 N ATOM 1059 CA ALA A 72 0.106 3.083 -4.466 1.00 0.00 C ATOM 1060 C ALA A 72 -1.306 3.656 -4.510 1.00 0.00 C ATOM 1061 O ALA A 72 -1.862 3.881 -5.586 1.00 0.00 O ATOM 1062 CB ALA A 72 1.111 4.109 -4.968 1.00 0.00 C ATOM 0 H ALA A 72 -0.601 1.683 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 72 0.339 2.840 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.030 5.019 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.119 3.705 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.905 4.339 -6.013 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.882 3.891 -3.336 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.230 4.439 -3.241 1.00 0.00 C ATOM 1070 C VAL A 73 -3.233 5.762 -2.484 1.00 0.00 C ATOM 1071 O VAL A 73 -2.791 5.835 -1.338 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.187 3.457 -2.540 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.327 4.208 -1.870 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.721 2.435 -3.532 1.00 0.00 C ATOM 0 H VAL A 73 -1.436 3.710 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.576 4.606 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.632 2.925 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.993 3.497 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.923 4.897 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.884 4.769 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.396 1.749 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.261 2.948 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.890 1.875 -3.960 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.736 6.808 -3.132 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.798 8.130 -2.520 1.00 0.00 C ATOM 1086 C ASN A 74 -4.846 8.168 -1.412 1.00 0.00 C ATOM 1087 O ASN A 74 -6.002 8.516 -1.649 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.117 9.190 -3.576 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.290 10.571 -2.976 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.003 10.789 -1.798 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.762 11.513 -3.784 1.00 0.00 N ATOM 0 H ASN A 74 -4.107 6.765 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.824 8.346 -2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.316 9.216 -4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.028 8.910 -4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.900 12.462 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.987 11.288 -4.753 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.432 7.809 -0.201 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.334 7.804 0.944 1.00 0.00 C ATOM 1100 C ALA A 75 -6.224 9.042 0.946 1.00 0.00 C ATOM 1101 O ALA A 75 -7.412 8.964 1.259 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.541 7.719 2.240 1.00 0.00 C ATOM 0 H ALA A 75 -3.478 7.518 0.012 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.976 6.927 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.227 7.716 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.952 6.802 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.875 8.578 2.316 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.642 10.184 0.597 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.383 11.440 0.558 1.00 0.00 C ATOM 1110 C ASP A 76 -7.530 11.363 -0.445 1.00 0.00 C ATOM 1111 O ASP A 76 -8.644 11.808 -0.166 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.450 12.597 0.198 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.174 13.927 0.139 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.987 14.201 1.046 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -5.927 14.695 -0.815 1.00 0.00 O ATOM 0 H ASP A 76 -4.659 10.266 0.337 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.802 11.617 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.648 12.656 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.984 12.397 -0.767 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.249 10.798 -1.614 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.256 10.663 -2.660 1.00 0.00 C ATOM 1122 C LYS A 77 -9.110 9.419 -2.436 1.00 0.00 C ATOM 1123 O LYS A 77 -10.330 9.509 -2.292 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.587 10.594 -4.035 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.524 10.152 -5.146 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.757 9.580 -6.327 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.115 10.678 -7.159 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.102 11.350 -8.048 1.00 0.00 N ATOM 0 H LYS A 77 -6.332 10.426 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.904 11.539 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.181 11.575 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.745 9.904 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.216 9.402 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.124 11.000 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.987 8.898 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.432 8.996 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.661 11.416 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.313 10.254 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.621 12.081 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.530 10.648 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.845 11.792 -7.470 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.462 8.259 -2.406 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.162 6.997 -2.196 1.00 0.00 C ATOM 1144 C HIS A 78 -9.410 6.753 -0.711 1.00 0.00 C ATOM 1145 O HIS A 78 -9.311 5.623 -0.234 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.358 5.839 -2.789 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.957 6.056 -4.215 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.787 5.814 -4.852 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.806 6.586 -5.164 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -6.950 6.197 -6.161 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.176 6.659 -6.323 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.453 8.167 -2.524 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.126 7.056 -2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.462 5.684 -2.188 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.949 4.925 -2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.826 6.893 -4.987 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.197 6.131 -6.933 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.570 7.012 -7.195 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.731 7.820 0.014 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.990 7.720 1.445 1.00 0.00 C ATOM 1162 C GLN A 79 -10.790 6.462 1.767 1.00 0.00 C ATOM 1163 O GLN A 79 -10.535 5.791 2.767 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.744 8.958 1.935 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.840 10.145 2.225 1.00 0.00 C ATOM 1166 CD GLN A 79 -8.931 9.911 3.415 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -8.905 8.820 3.985 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -8.179 10.936 3.797 1.00 0.00 N ATOM 0 H GLN A 79 -9.818 8.763 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.031 7.660 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.479 9.247 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.296 8.703 2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.233 10.357 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.453 11.027 2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.232 11.823 3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.548 10.837 4.592 1.00 0.00 H new ATOM 1177 N SER A 80 -11.760 6.149 0.914 1.00 0.00 N ATOM 1178 CA SER A 80 -12.601 4.974 1.110 1.00 0.00 C ATOM 1179 C SER A 80 -11.750 3.715 1.253 1.00 0.00 C ATOM 1180 O SER A 80 -11.950 2.918 2.170 1.00 0.00 O ATOM 1181 CB SER A 80 -13.573 4.815 -0.060 1.00 0.00 C ATOM 1182 OG SER A 80 -14.678 4.005 0.301 1.00 0.00 O ATOM 0 H SER A 80 -11.983 6.693 0.080 1.00 0.00 H new ATOM 0 HA SER A 80 -13.170 5.114 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.926 5.796 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.055 4.371 -0.910 1.00 0.00 H new ATOM 0 HG SER A 80 -15.285 3.920 -0.464 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.801 3.544 0.340 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.918 2.382 0.362 1.00 0.00 C ATOM 1190 C LEU A 81 -9.182 2.284 1.695 1.00 0.00 C ATOM 1191 O LEU A 81 -9.367 1.329 2.449 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.911 2.460 -0.786 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.466 2.198 -2.186 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.417 2.505 -3.243 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -9.945 0.759 -2.309 1.00 0.00 C ATOM 0 H LEU A 81 -10.623 4.195 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.530 1.488 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.456 3.451 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.114 1.742 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.318 2.859 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.831 2.312 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.123 3.552 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.545 1.871 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.337 0.590 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.111 0.081 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.731 0.573 -1.577 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.348 3.279 1.979 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.598 3.287 3.222 1.00 0.00 C ATOM 1209 C GLY A 82 -8.479 3.047 4.432 1.00 0.00 C ATOM 1210 O GLY A 82 -8.294 2.073 5.160 1.00 0.00 O ATOM 0 H GLY A 82 -8.178 4.080 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.825 2.520 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.090 4.245 3.330 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.440 3.940 4.649 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.337 3.804 5.781 1.00 0.00 C ATOM 1216 C GLY A 83 -11.046 2.465 5.802 1.00 0.00 C ATOM 1217 O GLY A 83 -11.278 1.895 6.868 1.00 0.00 O ATOM 0 H GLY A 83 -9.613 4.755 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.772 3.927 6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.078 4.603 5.752 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.393 1.962 4.621 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.083 0.682 4.509 1.00 0.00 C ATOM 1223 C GLN A 84 -11.248 -0.441 5.115 1.00 0.00 C ATOM 1224 O GLN A 84 -11.760 -1.523 5.402 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.390 0.372 3.043 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.993 -1.007 2.827 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.692 -1.135 1.488 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.914 -1.279 1.424 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.920 -1.082 0.409 1.00 0.00 N ATOM 0 H GLN A 84 -11.208 2.421 3.729 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.020 0.752 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.078 1.125 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.471 0.453 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.206 -1.758 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.704 -1.217 3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.912 -0.962 0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.335 -1.162 -0.519 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.960 -0.176 5.308 1.00 0.00 N ATOM 1239 CA TYR A 85 -9.054 -1.165 5.877 1.00 0.00 C ATOM 1240 C TYR A 85 -8.700 -0.814 7.319 1.00 0.00 C ATOM 1241 O TYR A 85 -8.602 -1.690 8.178 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.779 -1.263 5.038 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.943 -2.087 3.781 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.843 -1.709 2.792 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.200 -3.244 3.582 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.998 -2.459 1.642 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.346 -3.999 2.435 1.00 0.00 C ATOM 1248 CZ TYR A 85 -8.247 -3.603 1.468 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.397 -4.353 0.324 1.00 0.00 O ATOM 0 H TYR A 85 -9.521 0.716 5.078 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.561 -2.130 5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.456 -0.259 4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.986 -1.698 5.647 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.432 -0.813 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.496 -3.559 4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.703 -2.151 0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.758 -4.894 2.296 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.888 -3.942 -0.406 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.511 0.476 7.578 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.171 0.922 8.917 1.00 0.00 C ATOM 1261 C GLY A 86 -7.211 2.095 8.911 1.00 0.00 C ATOM 1262 O GLY A 86 -7.026 2.761 9.930 1.00 0.00 O ATOM 0 H GLY A 86 -8.587 1.220 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.082 1.205 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.726 0.095 9.470 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.597 2.350 7.760 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.650 3.450 7.625 1.00 0.00 C ATOM 1268 C VAL A 87 -6.096 4.661 8.436 1.00 0.00 C ATOM 1269 O VAL A 87 -7.207 5.161 8.262 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.479 3.867 6.152 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.396 4.926 6.019 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.161 2.655 5.289 1.00 0.00 C ATOM 0 H VAL A 87 -6.739 1.809 6.907 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.694 3.093 8.006 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.418 4.297 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.290 5.208 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.671 5.803 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.450 4.527 6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.043 2.968 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.236 2.194 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.975 1.934 5.360 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.222 5.128 9.322 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.527 6.281 10.161 1.00 0.00 C ATOM 1284 C GLN A 88 -4.459 7.359 10.013 1.00 0.00 C ATOM 1285 O GLN A 88 -4.757 8.552 10.051 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.641 5.857 11.626 1.00 0.00 C ATOM 1287 CG GLN A 88 -6.980 5.227 11.975 1.00 0.00 C ATOM 1288 CD GLN A 88 -7.220 5.156 13.470 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -6.633 5.915 14.241 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -8.087 4.242 13.888 1.00 0.00 N ATOM 0 H GLN A 88 -4.298 4.726 9.477 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.482 6.694 9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.845 5.148 11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.482 6.729 12.261 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.780 5.802 11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.025 4.222 11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.551 3.633 13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.289 4.148 14.883 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.211 6.930 9.845 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.117 7.872 9.695 1.00 0.00 C ATOM 1301 C GLY A 89 -1.134 7.452 8.619 1.00 0.00 C ATOM 1302 O GLY A 89 -0.592 6.347 8.661 1.00 0.00 O ATOM 0 H GLY A 89 -2.939 5.948 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.519 8.855 9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.592 7.969 10.645 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.906 8.334 7.652 1.00 0.00 N ATOM 1307 CA PHE A 90 0.016 8.048 6.559 1.00 0.00 C ATOM 1308 C PHE A 90 1.399 8.626 6.848 1.00 0.00 C ATOM 1309 O PHE A 90 1.562 9.534 7.663 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.523 8.619 5.246 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.001 8.883 5.270 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.880 7.935 5.767 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.512 10.081 4.796 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.241 8.175 5.789 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.872 10.327 4.816 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.737 9.373 5.314 1.00 0.00 C ATOM 0 H PHE A 90 -1.347 9.253 7.603 1.00 0.00 H new ATOM 0 HA PHE A 90 0.106 6.966 6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.000 9.548 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.299 7.923 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.497 6.997 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.840 10.831 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.916 7.426 6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.258 11.264 4.443 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.800 9.563 5.332 1.00 0.00 H new ATOM 1326 N PRO A 91 2.420 8.086 6.166 1.00 0.00 N ATOM 1327 CA PRO A 91 2.238 7.003 5.195 1.00 0.00 C ATOM 1328 C PRO A 91 1.858 5.685 5.860 1.00 0.00 C ATOM 1329 O PRO A 91 2.313 5.380 6.963 1.00 0.00 O ATOM 1330 CB PRO A 91 3.612 6.889 4.529 1.00 0.00 C ATOM 1331 CG PRO A 91 4.568 7.415 5.543 1.00 0.00 C ATOM 1332 CD PRO A 91 3.830 8.490 6.291 1.00 0.00 C ATOM 0 HA PRO A 91 1.427 7.213 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.841 5.856 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.654 7.468 3.607 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.895 6.624 6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.462 7.816 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.143 8.541 7.334 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.006 9.474 5.857 1.00 0.00 H new ATOM 1340 N THR A 92 1.020 4.905 5.183 1.00 0.00 N ATOM 1341 CA THR A 92 0.578 3.620 5.709 1.00 0.00 C ATOM 1342 C THR A 92 0.810 2.503 4.698 1.00 0.00 C ATOM 1343 O THR A 92 0.062 2.364 3.730 1.00 0.00 O ATOM 1344 CB THR A 92 -0.914 3.651 6.088 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.095 4.386 7.304 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.460 2.241 6.256 1.00 0.00 C ATOM 0 H THR A 92 0.634 5.142 4.269 1.00 0.00 H new ATOM 0 HA THR A 92 1.169 3.425 6.604 1.00 0.00 H new ATOM 0 HB THR A 92 -1.461 4.141 5.282 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.429 5.103 7.355 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.516 2.289 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.347 1.693 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.909 1.729 7.045 1.00 0.00 H new ATOM 1354 N ILE A 93 1.850 1.709 4.929 1.00 0.00 N ATOM 1355 CA ILE A 93 2.179 0.602 4.039 1.00 0.00 C ATOM 1356 C ILE A 93 1.479 -0.681 4.475 1.00 0.00 C ATOM 1357 O ILE A 93 1.530 -1.062 5.644 1.00 0.00 O ATOM 1358 CB ILE A 93 3.698 0.353 3.987 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.427 1.612 3.512 1.00 0.00 C ATOM 1360 CG2 ILE A 93 4.011 -0.823 3.075 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.873 1.675 3.952 1.00 0.00 C ATOM 0 H ILE A 93 2.479 1.812 5.725 1.00 0.00 H new ATOM 0 HA ILE A 93 1.831 0.883 3.045 1.00 0.00 H new ATOM 0 HB ILE A 93 4.046 0.111 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.384 1.658 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.902 2.490 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 93 5.088 -0.986 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.517 -1.718 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.652 -0.608 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.327 2.593 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.923 1.661 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.413 0.816 3.553 1.00 0.00 H new ATOM 1373 N LYS A 94 0.828 -1.344 3.526 1.00 0.00 N ATOM 1374 CA LYS A 94 0.120 -2.587 3.809 1.00 0.00 C ATOM 1375 C LYS A 94 0.584 -3.702 2.878 1.00 0.00 C ATOM 1376 O LYS A 94 0.763 -3.487 1.678 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.390 -2.382 3.665 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.022 -1.666 4.846 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.294 -2.621 5.996 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.279 -2.028 6.992 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.439 -2.891 8.195 1.00 0.00 N ATOM 0 H LYS A 94 0.776 -1.041 2.553 1.00 0.00 H new ATOM 0 HA LYS A 94 0.345 -2.878 4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.586 -1.811 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.870 -3.353 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.362 -0.867 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.955 -1.198 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.690 -3.559 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.359 -2.856 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.936 -1.039 7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.247 -1.894 6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.118 -2.452 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.791 -3.826 7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.520 -2.998 8.670 1.00 0.00 H new ATOM 1395 N ILE A 95 0.775 -4.892 3.436 1.00 0.00 N ATOM 1396 CA ILE A 95 1.216 -6.041 2.654 1.00 0.00 C ATOM 1397 C ILE A 95 0.051 -6.976 2.347 1.00 0.00 C ATOM 1398 O ILE A 95 -0.754 -7.292 3.223 1.00 0.00 O ATOM 1399 CB ILE A 95 2.315 -6.833 3.387 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.552 -5.957 3.594 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.673 -8.089 2.606 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.379 -6.354 4.797 1.00 0.00 C ATOM 0 H ILE A 95 0.631 -5.086 4.427 1.00 0.00 H new ATOM 0 HA ILE A 95 1.622 -5.651 1.721 1.00 0.00 H new ATOM 0 HB ILE A 95 1.937 -7.132 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.176 -6.007 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.238 -4.919 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.451 -8.638 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.789 -8.719 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.036 -7.811 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.239 -5.690 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.771 -6.277 5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.724 -7.381 4.679 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.032 -7.417 1.096 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.098 -8.317 0.672 1.00 0.00 C ATOM 1416 C PHE A 96 -0.529 -9.656 0.212 1.00 0.00 C ATOM 1417 O PHE A 96 0.334 -9.709 -0.663 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.912 -7.682 -0.458 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.868 -6.624 0.014 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.405 -5.381 0.414 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.231 -6.873 0.058 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.283 -4.405 0.848 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.113 -5.901 0.491 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.638 -4.666 0.888 1.00 0.00 C ATOM 0 H PHE A 96 0.626 -7.166 0.358 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.751 -8.493 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.229 -7.245 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.472 -8.462 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.346 -5.172 0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.608 -7.837 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.909 -3.440 1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.173 -6.107 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.325 -3.906 1.229 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.019 -10.737 0.812 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.547 -12.062 0.452 1.00 0.00 C ATOM 1436 C GLY A 97 -1.481 -13.158 0.927 1.00 0.00 C ATOM 1437 O GLY A 97 -2.422 -13.528 0.226 1.00 0.00 O ATOM 0 H GLY A 97 -1.733 -10.719 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.439 -12.124 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.443 -12.221 0.880 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.218 -13.680 2.121 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.042 -14.740 2.688 1.00 0.00 C ATOM 1443 C ALA A 98 -3.525 -14.458 2.472 1.00 0.00 C ATOM 1444 O ALA A 98 -4.214 -15.206 1.780 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.745 -14.903 4.172 1.00 0.00 C ATOM 0 H ALA A 98 -0.441 -13.386 2.713 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.797 -15.670 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.368 -15.698 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.694 -15.159 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.960 -13.969 4.691 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.010 -13.375 3.070 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.413 -12.995 2.943 1.00 0.00 C ATOM 1453 C ASN A 99 -5.548 -11.618 2.302 1.00 0.00 C ATOM 1454 O ASN A 99 -5.277 -10.597 2.935 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.090 -13.000 4.316 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.590 -12.800 4.221 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.184 -12.973 3.156 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.210 -12.434 5.337 1.00 0.00 N ATOM 0 H ASN A 99 -3.453 -12.745 3.647 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.905 -13.725 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.883 -13.946 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.659 -12.212 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.219 -12.285 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.677 -12.302 6.197 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.968 -11.596 1.042 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.141 -10.345 0.314 1.00 0.00 C ATOM 1467 C LYS A 100 -7.194 -9.468 0.983 1.00 0.00 C ATOM 1468 O LYS A 100 -7.220 -8.254 0.785 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.543 -10.627 -1.136 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.389 -11.092 -2.008 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.271 -10.064 -2.049 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.270 -10.373 -3.151 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.422 -11.550 -2.816 1.00 0.00 N ATOM 0 H LYS A 100 -6.195 -12.432 0.503 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.190 -9.812 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.324 -11.387 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.972 -9.723 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.002 -12.037 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.749 -11.280 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.693 -9.072 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.759 -10.043 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.803 -10.563 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.634 -9.503 -3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.501 -11.461 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.278 -11.592 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.894 -12.420 -3.135 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.060 -10.090 1.776 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.114 -9.365 2.475 1.00 0.00 C ATOM 1489 C ASN A 101 -8.570 -8.688 3.729 1.00 0.00 C ATOM 1490 O ASN A 101 -9.081 -7.656 4.164 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.254 -10.315 2.849 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.292 -10.433 1.749 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.455 -10.078 1.937 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.874 -10.936 0.593 1.00 0.00 N ATOM 0 H ASN A 101 -8.052 -11.095 1.951 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.496 -8.595 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.845 -11.302 3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.734 -9.961 3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.527 -11.041 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.900 -11.217 0.482 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.528 -9.277 4.307 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.911 -8.731 5.510 1.00 0.00 C ATOM 1503 C LYS A 102 -5.391 -8.722 5.386 1.00 0.00 C ATOM 1504 O LYS A 102 -4.714 -9.708 5.679 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.328 -9.546 6.736 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.813 -9.862 6.780 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.177 -10.660 8.021 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.407 -11.524 7.788 1.00 0.00 C ATOM 1509 NZ LYS A 102 -10.418 -12.723 8.671 1.00 0.00 N ATOM 0 H LYS A 102 -7.093 -10.133 3.961 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.254 -7.703 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.766 -10.480 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.055 -8.997 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.384 -8.934 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.093 -10.425 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.336 -11.292 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.362 -9.979 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.305 -10.933 7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.436 -11.841 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.272 -13.286 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.574 -13.301 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.416 -12.421 9.666 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.839 -7.583 4.942 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.393 -7.418 4.771 1.00 0.00 C ATOM 1525 C PRO A 103 -2.653 -7.372 6.104 1.00 0.00 C ATOM 1526 O PRO A 103 -3.272 -7.360 7.167 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.272 -6.075 4.046 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.507 -5.330 4.420 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.585 -6.368 4.574 1.00 0.00 C ATOM 0 HA PRO A 103 -2.949 -8.253 4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.376 -5.537 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.204 -6.212 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.363 -4.776 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.772 -4.603 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.304 -6.089 5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.146 -6.505 3.649 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.325 -7.345 6.038 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.502 -7.300 7.241 1.00 0.00 C ATOM 1539 C GLU A 104 0.062 -5.900 7.463 1.00 0.00 C ATOM 1540 O GLU A 104 0.219 -5.125 6.519 1.00 0.00 O ATOM 1541 CB GLU A 104 0.641 -8.313 7.141 1.00 0.00 C ATOM 1542 CG GLU A 104 0.242 -9.723 7.541 1.00 0.00 C ATOM 1543 CD GLU A 104 0.366 -9.964 9.033 1.00 0.00 C ATOM 1544 OE1 GLU A 104 -0.317 -9.261 9.807 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.147 -10.855 9.426 1.00 0.00 O ATOM 0 H GLU A 104 -0.797 -7.354 5.165 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.133 -7.557 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.014 -8.327 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.464 -7.984 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.787 -9.907 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.868 -10.439 7.008 1.00 0.00 H new ATOM 1552 N ASP A 105 0.364 -5.582 8.717 1.00 0.00 N ATOM 1553 CA ASP A 105 0.911 -4.276 9.064 1.00 0.00 C ATOM 1554 C ASP A 105 2.398 -4.203 8.731 1.00 0.00 C ATOM 1555 O ASP A 105 3.213 -4.911 9.324 1.00 0.00 O ATOM 1556 CB ASP A 105 0.694 -3.987 10.550 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.656 -4.469 11.043 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -0.881 -5.697 11.051 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.490 -3.618 11.419 1.00 0.00 O ATOM 0 H ASP A 105 0.239 -6.211 9.510 1.00 0.00 H new ATOM 0 HA ASP A 105 0.388 -3.523 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.482 -4.468 11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.779 -2.914 10.725 1.00 0.00 H new ATOM 1564 N TYR A 106 2.744 -3.345 7.778 1.00 0.00 N ATOM 1565 CA TYR A 106 4.132 -3.182 7.363 1.00 0.00 C ATOM 1566 C TYR A 106 4.971 -2.584 8.489 1.00 0.00 C ATOM 1567 O TYR A 106 4.859 -1.397 8.796 1.00 0.00 O ATOM 1568 CB TYR A 106 4.215 -2.292 6.122 1.00 0.00 C ATOM 1569 CG TYR A 106 5.626 -2.080 5.622 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.449 -1.118 6.193 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.135 -2.841 4.577 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.739 -0.920 5.739 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.424 -2.651 4.117 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.222 -1.690 4.701 1.00 0.00 C ATOM 1575 OH TYR A 106 9.506 -1.497 4.245 1.00 0.00 O ATOM 0 H TYR A 106 2.082 -2.751 7.278 1.00 0.00 H new ATOM 0 HA TYR A 106 4.530 -4.168 7.122 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.619 -2.738 5.325 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.770 -1.323 6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.074 -0.514 7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.513 -3.594 4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.365 -0.167 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.804 -3.252 3.304 1.00 0.00 H new ATOM 0 HH TYR A 106 10.019 -2.326 4.350 1.00 0.00 H new ATOM 1654 N GLY A 112 13.456 2.431 0.059 1.00 0.00 N ATOM 1655 CA GLY A 112 13.489 1.548 -1.093 1.00 0.00 C ATOM 1656 C GLY A 112 14.192 0.238 -0.800 1.00 0.00 C ATOM 1657 O GLY A 112 13.788 -0.814 -1.293 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.469 1.344 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.994 2.051 -1.918 1.00 0.00 H new ATOM 1661 N GLU A 113 15.249 0.303 0.004 1.00 0.00 N ATOM 1662 CA GLU A 113 16.012 -0.888 0.359 1.00 0.00 C ATOM 1663 C GLU A 113 15.204 -1.797 1.281 1.00 0.00 C ATOM 1664 O GLU A 113 14.923 -2.947 0.946 1.00 0.00 O ATOM 1665 CB GLU A 113 17.327 -0.496 1.036 1.00 0.00 C ATOM 1666 CG GLU A 113 17.847 0.868 0.612 1.00 0.00 C ATOM 1667 CD GLU A 113 19.358 0.963 0.680 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.938 0.495 1.682 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.962 1.506 -0.269 1.00 0.00 O ATOM 0 H GLU A 113 15.596 1.167 0.421 1.00 0.00 H new ATOM 0 HA GLU A 113 16.233 -1.433 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.185 -0.502 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.081 -1.250 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.519 1.077 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.409 1.634 1.252 1.00 0.00 H new ATOM 1676 N ALA A 114 14.835 -1.271 2.445 1.00 0.00 N ATOM 1677 CA ALA A 114 14.059 -2.033 3.415 1.00 0.00 C ATOM 1678 C ALA A 114 12.844 -2.681 2.759 1.00 0.00 C ATOM 1679 O ALA A 114 12.596 -3.875 2.934 1.00 0.00 O ATOM 1680 CB ALA A 114 13.625 -1.136 4.565 1.00 0.00 C ATOM 0 H ALA A 114 15.061 -0.321 2.738 1.00 0.00 H new ATOM 0 HA ALA A 114 14.694 -2.827 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.046 -1.718 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.506 -0.725 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.012 -0.322 4.180 1.00 0.00 H new ATOM 1686 N ILE A 115 12.091 -1.888 2.005 1.00 0.00 N ATOM 1687 CA ILE A 115 10.903 -2.385 1.323 1.00 0.00 C ATOM 1688 C ILE A 115 11.232 -3.598 0.459 1.00 0.00 C ATOM 1689 O ILE A 115 10.501 -4.588 0.456 1.00 0.00 O ATOM 1690 CB ILE A 115 10.264 -1.298 0.440 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.973 -0.044 1.267 1.00 0.00 C ATOM 1692 CG2 ILE A 115 8.989 -1.821 -0.205 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.056 1.239 0.469 1.00 0.00 C ATOM 0 H ILE A 115 12.283 -0.898 1.851 1.00 0.00 H new ATOM 0 HA ILE A 115 10.193 -2.675 2.098 1.00 0.00 H new ATOM 0 HB ILE A 115 10.966 -1.034 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.977 -0.128 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.679 0.007 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.549 -1.041 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.223 -2.688 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.280 -2.109 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.838 2.086 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.059 1.347 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.330 1.209 -0.344 1.00 0.00 H new ATOM 1705 N VAL A 116 12.339 -3.514 -0.272 1.00 0.00 N ATOM 1706 CA VAL A 116 12.768 -4.605 -1.139 1.00 0.00 C ATOM 1707 C VAL A 116 12.988 -5.886 -0.342 1.00 0.00 C ATOM 1708 O VAL A 116 12.702 -6.983 -0.820 1.00 0.00 O ATOM 1709 CB VAL A 116 14.066 -4.250 -1.888 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.551 -5.436 -2.707 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.853 -3.031 -2.773 1.00 0.00 C ATOM 0 H VAL A 116 12.955 -2.701 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 116 11.971 -4.764 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 116 14.835 -4.008 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.469 -5.166 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.744 -6.280 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.788 -5.712 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.780 -2.794 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.070 -3.243 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.556 -2.182 -2.157 1.00 0.00 H new ATOM 1721 N ASP A 117 13.498 -5.737 0.876 1.00 0.00 N ATOM 1722 CA ASP A 117 13.756 -6.882 1.742 1.00 0.00 C ATOM 1723 C ASP A 117 12.464 -7.378 2.385 1.00 0.00 C ATOM 1724 O ASP A 117 12.273 -8.580 2.568 1.00 0.00 O ATOM 1725 CB ASP A 117 14.770 -6.512 2.824 1.00 0.00 C ATOM 1726 CG ASP A 117 15.506 -7.722 3.367 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.836 -8.715 3.720 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.752 -7.676 3.437 1.00 0.00 O ATOM 0 H ASP A 117 13.741 -4.835 1.286 1.00 0.00 H new ATOM 0 HA ASP A 117 14.168 -7.684 1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.492 -5.805 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.256 -6.006 3.641 1.00 0.00 H new ATOM 1733 N ALA A 118 11.583 -6.445 2.727 1.00 0.00 N ATOM 1734 CA ALA A 118 10.310 -6.787 3.349 1.00 0.00 C ATOM 1735 C ALA A 118 9.420 -7.565 2.386 1.00 0.00 C ATOM 1736 O ALA A 118 8.855 -8.598 2.745 1.00 0.00 O ATOM 1737 CB ALA A 118 9.601 -5.528 3.827 1.00 0.00 C ATOM 0 H ALA A 118 11.727 -5.445 2.584 1.00 0.00 H new ATOM 0 HA ALA A 118 10.514 -7.425 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.652 -5.798 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.226 -5.013 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.417 -4.870 2.978 1.00 0.00 H new ATOM 1743 N ALA A 119 9.298 -7.061 1.162 1.00 0.00 N ATOM 1744 CA ALA A 119 8.477 -7.710 0.147 1.00 0.00 C ATOM 1745 C ALA A 119 8.923 -9.150 -0.081 1.00 0.00 C ATOM 1746 O ALA A 119 8.096 -10.055 -0.203 1.00 0.00 O ATOM 1747 CB ALA A 119 8.532 -6.926 -1.156 1.00 0.00 C ATOM 0 H ALA A 119 9.757 -6.206 0.850 1.00 0.00 H new ATOM 0 HA ALA A 119 7.447 -7.728 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.915 -7.422 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.159 -5.916 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.562 -6.878 -1.509 1.00 0.00 H new ATOM 1753 N LEU A 120 10.234 -9.357 -0.138 1.00 0.00 N ATOM 1754 CA LEU A 120 10.790 -10.688 -0.352 1.00 0.00 C ATOM 1755 C LEU A 120 10.447 -11.615 0.811 1.00 0.00 C ATOM 1756 O LEU A 120 9.830 -12.663 0.621 1.00 0.00 O ATOM 1757 CB LEU A 120 12.307 -10.607 -0.524 1.00 0.00 C ATOM 1758 CG LEU A 120 12.803 -9.869 -1.768 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.182 -9.276 -1.523 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.829 -10.804 -2.968 1.00 0.00 C ATOM 0 H LEU A 120 10.932 -8.620 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 120 10.349 -11.097 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.727 -10.118 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.705 -11.622 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 120 12.112 -9.054 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.518 -8.755 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.133 -8.573 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.884 -10.074 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.184 -10.262 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.497 -11.640 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.824 -11.181 -3.158 1.00 0.00 H new ATOM 1772 N SER A 121 10.851 -11.220 2.014 1.00 0.00 N ATOM 1773 CA SER A 121 10.588 -12.016 3.207 1.00 0.00 C ATOM 1774 C SER A 121 9.174 -12.588 3.179 1.00 0.00 C ATOM 1775 O SER A 121 8.955 -13.748 3.524 1.00 0.00 O ATOM 1776 CB SER A 121 10.781 -11.166 4.465 1.00 0.00 C ATOM 1777 OG SER A 121 11.119 -11.974 5.579 1.00 0.00 O ATOM 0 H SER A 121 11.361 -10.354 2.188 1.00 0.00 H new ATOM 0 HA SER A 121 11.296 -12.845 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.567 -10.430 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.867 -10.612 4.677 1.00 0.00 H new ATOM 0 HG SER A 121 11.239 -11.408 6.370 1.00 0.00 H new ATOM 1783 N ALA A 122 8.217 -11.764 2.763 1.00 0.00 N ATOM 1784 CA ALA A 122 6.825 -12.187 2.687 1.00 0.00 C ATOM 1785 C ALA A 122 6.583 -13.061 1.461 1.00 0.00 C ATOM 1786 O ALA A 122 5.912 -14.090 1.542 1.00 0.00 O ATOM 1787 CB ALA A 122 5.905 -10.975 2.664 1.00 0.00 C ATOM 0 H ALA A 122 8.381 -10.800 2.474 1.00 0.00 H new ATOM 0 HA ALA A 122 6.603 -12.781 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.868 -11.306 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.050 -10.391 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.137 -10.358 1.796 1.00 0.00 H new