USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 864 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 120 SER OG : rot -47:sc= 0.952 USER MOD Set 1.2: A 124 GLN : amide:sc= 0.451 K(o=1.4,f=-1) USER MOD Set 2.1: A 92 LYS NZ :NH3+ -124:sc= 0.104 (180deg=-1.51) USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 36 HIS : no HE2:sc= -0.175 K(o=-5.8,f=-7.1!) USER MOD Set 3.2: A 55 GLN : amide:sc= -5.58! K(o=-5.8!,f=-1.8) USER MOD Set 4.1: A 20 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.51!) USER MOD Set 4.2: A 44 GLN : amide:sc= -0.626 K(o=-0.63,f=-2.3) USER MOD Single : A 19 GLN : amide:sc= -0.0264 K(o=-0.026,f=-0.86) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.311 USER MOD Single : A 24 THR OG1 : rot 69:sc= 1.12 USER MOD Single : A 28 ASN : amide:sc= -1.98! C(o=-2!,f=-10!) USER MOD Single : A 29 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.6!) USER MOD Single : A 30 TYR OH : rot 42:sc= 0.148 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -3.12! (180deg=-3.41!) USER MOD Single : A 34 SER OG : rot -40:sc= 0.0155 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.74) USER MOD Single : A 48 THR OG1 : rot -100:sc= 1.12 USER MOD Single : A 58 GLN : amide:sc= -0.398 K(o=-0.4,f=-1) USER MOD Single : A 62 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.28) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc=-0.00726 (180deg=-0.468) USER MOD Single : A 69 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.1) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00317 K(o=-0.0032,f=-1.9!) USER MOD Single : A 78 MET CE :methyl -127:sc= -0.361 (180deg=-0.705) USER MOD Single : A 81 ASN : amide:sc= -1.17 K(o=-1.2,f=-10!) USER MOD Single : A 85 CYS SG : rot 65:sc=-0.00514 USER MOD Single : A 87 ASN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.0105 K(o=0.011,f=-1.5) USER MOD Single : A 108 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.38) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.313 16.630 -5.329 1.00 0.00 N ATOM 202 CA GLY A 15 1.788 16.947 -4.014 1.00 0.00 C ATOM 203 C GLY A 15 1.223 15.731 -3.307 1.00 0.00 C ATOM 204 O GLY A 15 1.135 14.650 -3.890 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.580 17.382 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.008 17.703 -4.110 1.00 0.00 H new ATOM 208 N LEU A 16 0.841 15.906 -2.047 1.00 0.00 N ATOM 209 CA LEU A 16 0.282 14.814 -1.258 1.00 0.00 C ATOM 210 C LEU A 16 -0.729 14.014 -2.073 1.00 0.00 C ATOM 211 O LEU A 16 -0.550 12.819 -2.301 1.00 0.00 O ATOM 212 CB LEU A 16 -0.383 15.360 0.007 1.00 0.00 C ATOM 213 CG LEU A 16 0.560 15.916 1.075 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.230 16.583 2.189 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.444 14.810 1.633 1.00 0.00 C ATOM 0 H LEU A 16 0.908 16.794 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 16 1.098 14.150 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.077 16.149 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.976 14.563 0.454 1.00 0.00 H new ATOM 0 HG LEU A 16 1.200 16.667 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.458 16.973 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.819 17.402 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.895 15.853 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.109 15.223 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.820 14.036 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.037 14.377 0.828 1.00 0.00 H new ATOM 227 N GLU A 17 -1.790 14.685 -2.511 1.00 0.00 N ATOM 228 CA GLU A 17 -2.829 14.036 -3.303 1.00 0.00 C ATOM 229 C GLU A 17 -2.234 13.372 -4.542 1.00 0.00 C ATOM 230 O GLU A 17 -2.677 12.302 -4.958 1.00 0.00 O ATOM 231 CB GLU A 17 -3.895 15.053 -3.718 1.00 0.00 C ATOM 232 CG GLU A 17 -3.324 16.299 -4.374 1.00 0.00 C ATOM 233 CD GLU A 17 -3.011 17.394 -3.372 1.00 0.00 C ATOM 234 OE1 GLU A 17 -3.936 18.149 -3.008 1.00 0.00 O ATOM 235 OE2 GLU A 17 -1.839 17.495 -2.953 1.00 0.00 O ATOM 0 H GLU A 17 -1.953 15.676 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.292 13.266 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.591 14.576 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.468 15.346 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.415 16.036 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.035 16.676 -5.109 1.00 0.00 H new ATOM 242 N ASP A 18 -1.230 14.016 -5.126 1.00 0.00 N ATOM 243 CA ASP A 18 -0.573 13.489 -6.317 1.00 0.00 C ATOM 244 C ASP A 18 0.129 12.170 -6.011 1.00 0.00 C ATOM 245 O ASP A 18 0.080 11.232 -6.806 1.00 0.00 O ATOM 246 CB ASP A 18 0.434 14.503 -6.861 1.00 0.00 C ATOM 247 CG ASP A 18 -0.202 15.496 -7.814 1.00 0.00 C ATOM 248 OD1 ASP A 18 -1.274 16.041 -7.476 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.373 15.729 -8.898 1.00 0.00 O ATOM 0 H ASP A 18 -0.853 14.904 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.337 13.307 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.888 15.042 -6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.237 13.974 -7.375 1.00 0.00 H new ATOM 254 N GLN A 19 0.783 12.107 -4.855 1.00 0.00 N ATOM 255 CA GLN A 19 1.497 10.904 -4.446 1.00 0.00 C ATOM 256 C GLN A 19 0.582 9.685 -4.497 1.00 0.00 C ATOM 257 O GLN A 19 0.920 8.665 -5.099 1.00 0.00 O ATOM 258 CB GLN A 19 2.062 11.075 -3.035 1.00 0.00 C ATOM 259 CG GLN A 19 3.053 12.220 -2.911 1.00 0.00 C ATOM 260 CD GLN A 19 4.014 12.038 -1.753 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.778 11.225 -0.858 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.105 12.795 -1.763 1.00 0.00 N ATOM 0 H GLN A 19 0.833 12.875 -4.186 1.00 0.00 H new ATOM 0 HA GLN A 19 2.321 10.746 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.238 11.242 -2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.551 10.148 -2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.620 12.307 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.508 13.155 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.260 13.456 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.788 12.716 -1.009 1.00 0.00 H new ATOM 271 N LYS A 20 -0.579 9.796 -3.860 1.00 0.00 N ATOM 272 CA LYS A 20 -1.544 8.703 -3.832 1.00 0.00 C ATOM 273 C LYS A 20 -1.551 7.949 -5.157 1.00 0.00 C ATOM 274 O LYS A 20 -1.529 6.718 -5.182 1.00 0.00 O ATOM 275 CB LYS A 20 -2.945 9.241 -3.531 1.00 0.00 C ATOM 276 CG LYS A 20 -4.046 8.214 -3.730 1.00 0.00 C ATOM 277 CD LYS A 20 -5.389 8.878 -3.982 1.00 0.00 C ATOM 278 CE LYS A 20 -6.531 7.876 -3.901 1.00 0.00 C ATOM 279 NZ LYS A 20 -7.832 8.540 -3.611 1.00 0.00 N ATOM 0 H LYS A 20 -0.874 10.632 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.249 8.011 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.975 9.598 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.141 10.100 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.795 7.568 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.114 7.577 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.547 9.671 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.385 9.348 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.603 7.331 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.316 7.143 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.277 8.086 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.670 9.547 -3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.459 8.451 -4.436 1.00 0.00 H new ATOM 293 N ARG A 21 -1.581 8.695 -6.257 1.00 0.00 N ATOM 294 CA ARG A 21 -1.590 8.096 -7.586 1.00 0.00 C ATOM 295 C ARG A 21 -0.340 7.250 -7.810 1.00 0.00 C ATOM 296 O ARG A 21 -0.430 6.055 -8.094 1.00 0.00 O ATOM 297 CB ARG A 21 -1.681 9.183 -8.658 1.00 0.00 C ATOM 298 CG ARG A 21 -1.723 8.638 -10.076 1.00 0.00 C ATOM 299 CD ARG A 21 -0.326 8.497 -10.660 1.00 0.00 C ATOM 300 NE ARG A 21 0.155 9.749 -11.237 1.00 0.00 N ATOM 301 CZ ARG A 21 1.139 9.818 -12.127 1.00 0.00 C ATOM 302 NH1 ARG A 21 1.742 8.713 -12.541 1.00 0.00 N ATOM 303 NH2 ARG A 21 1.520 10.996 -12.606 1.00 0.00 N ATOM 0 H ARG A 21 -1.599 9.715 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.464 7.449 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.575 9.782 -8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.825 9.851 -8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.220 7.668 -10.080 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.316 9.302 -10.705 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.362 8.170 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.330 7.722 -11.427 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.289 10.618 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.451 7.806 -12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.497 8.770 -13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.057 11.849 -12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.276 11.049 -13.289 1.00 0.00 H new ATOM 317 N ILE A 22 0.824 7.877 -7.680 1.00 0.00 N ATOM 318 CA ILE A 22 2.091 7.182 -7.868 1.00 0.00 C ATOM 319 C ILE A 22 2.088 5.832 -7.160 1.00 0.00 C ATOM 320 O ILE A 22 2.538 4.828 -7.713 1.00 0.00 O ATOM 321 CB ILE A 22 3.275 8.019 -7.347 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.329 9.368 -8.066 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.581 7.261 -7.532 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.252 10.369 -7.405 1.00 0.00 C ATOM 0 H ILE A 22 0.916 8.865 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 22 2.209 7.027 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 22 3.131 8.202 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.654 9.210 -9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.324 9.787 -8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.408 7.865 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.539 6.323 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.733 7.051 -8.591 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.240 11.302 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.915 10.557 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.266 9.970 -7.384 1.00 0.00 H new ATOM 336 N TYR A 23 1.575 5.814 -5.935 1.00 0.00 N ATOM 337 CA TYR A 23 1.513 4.587 -5.150 1.00 0.00 C ATOM 338 C TYR A 23 0.436 3.650 -5.689 1.00 0.00 C ATOM 339 O TYR A 23 0.665 2.451 -5.856 1.00 0.00 O ATOM 340 CB TYR A 23 1.235 4.909 -3.681 1.00 0.00 C ATOM 341 CG TYR A 23 2.343 5.693 -3.013 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.673 5.323 -3.169 1.00 0.00 C ATOM 343 CD2 TYR A 23 2.059 6.802 -2.226 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.688 6.035 -2.560 1.00 0.00 C ATOM 345 CE2 TYR A 23 3.068 7.521 -1.615 1.00 0.00 C ATOM 346 CZ TYR A 23 4.381 7.134 -1.785 1.00 0.00 C ATOM 347 OH TYR A 23 5.389 7.846 -1.177 1.00 0.00 O ATOM 0 H TYR A 23 1.196 6.635 -5.464 1.00 0.00 H new ATOM 0 HA TYR A 23 2.478 4.087 -5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.307 5.476 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.081 3.978 -3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.917 4.464 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.032 7.107 -2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.717 5.733 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.830 8.382 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 23 5.003 8.590 -0.669 1.00 0.00 H new ATOM 357 N THR A 24 -0.741 4.205 -5.959 1.00 0.00 N ATOM 358 CA THR A 24 -1.855 3.421 -6.479 1.00 0.00 C ATOM 359 C THR A 24 -1.413 2.544 -7.645 1.00 0.00 C ATOM 360 O THR A 24 -1.590 1.326 -7.619 1.00 0.00 O ATOM 361 CB THR A 24 -3.012 4.327 -6.941 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.577 5.012 -5.818 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.090 3.513 -7.640 1.00 0.00 C ATOM 0 H THR A 24 -0.948 5.195 -5.826 1.00 0.00 H new ATOM 0 HA THR A 24 -2.204 2.787 -5.664 1.00 0.00 H new ATOM 0 HB THR A 24 -2.614 5.056 -7.647 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.934 5.669 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.897 4.174 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.663 3.017 -8.512 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.484 2.764 -6.953 1.00 0.00 H new ATOM 371 N ASP A 25 -0.838 3.171 -8.665 1.00 0.00 N ATOM 372 CA ASP A 25 -0.370 2.446 -9.841 1.00 0.00 C ATOM 373 C ASP A 25 0.758 1.486 -9.474 1.00 0.00 C ATOM 374 O ASP A 25 0.896 0.419 -10.072 1.00 0.00 O ATOM 375 CB ASP A 25 0.108 3.427 -10.914 1.00 0.00 C ATOM 376 CG ASP A 25 0.257 2.771 -12.272 1.00 0.00 C ATOM 377 OD1 ASP A 25 -0.734 2.189 -12.762 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.365 2.838 -12.846 1.00 0.00 O ATOM 0 H ASP A 25 -0.685 4.179 -8.702 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.204 1.865 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.599 4.253 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.065 3.853 -10.612 1.00 0.00 H new ATOM 383 N TRP A 26 1.560 1.874 -8.490 1.00 0.00 N ATOM 384 CA TRP A 26 2.677 1.047 -8.044 1.00 0.00 C ATOM 385 C TRP A 26 2.183 -0.292 -7.510 1.00 0.00 C ATOM 386 O TRP A 26 2.714 -1.345 -7.863 1.00 0.00 O ATOM 387 CB TRP A 26 3.479 1.777 -6.965 1.00 0.00 C ATOM 388 CG TRP A 26 4.581 0.946 -6.380 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.819 0.734 -6.915 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.542 0.213 -5.151 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.553 -0.085 -6.091 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.792 -0.418 -5.002 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.573 0.031 -4.160 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.096 -1.217 -3.903 1.00 0.00 C ATOM 395 CZ3 TRP A 26 3.876 -0.763 -3.070 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.129 -1.378 -2.948 1.00 0.00 C ATOM 0 H TRP A 26 1.459 2.755 -7.986 1.00 0.00 H new ATOM 0 HA TRP A 26 3.323 0.858 -8.901 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.905 2.685 -7.391 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.804 2.086 -6.167 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.170 1.149 -7.848 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.510 -0.395 -6.263 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.605 0.502 -4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.061 -1.693 -3.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.134 -0.912 -2.299 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.336 -1.991 -2.083 1.00 0.00 H new ATOM 407 N ALA A 27 1.164 -0.246 -6.658 1.00 0.00 N ATOM 408 CA ALA A 27 0.598 -1.457 -6.077 1.00 0.00 C ATOM 409 C ALA A 27 -0.162 -2.264 -7.124 1.00 0.00 C ATOM 410 O ALA A 27 -0.041 -3.486 -7.187 1.00 0.00 O ATOM 411 CB ALA A 27 -0.316 -1.106 -4.912 1.00 0.00 C ATOM 0 H ALA A 27 0.713 0.617 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 27 1.419 -2.072 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.732 -2.020 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.255 -0.578 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.127 -0.468 -5.265 1.00 0.00 H new ATOM 417 N ASN A 28 -0.947 -1.571 -7.943 1.00 0.00 N ATOM 418 CA ASN A 28 -1.728 -2.225 -8.987 1.00 0.00 C ATOM 419 C ASN A 28 -0.874 -3.224 -9.761 1.00 0.00 C ATOM 420 O ASN A 28 -1.248 -4.387 -9.916 1.00 0.00 O ATOM 421 CB ASN A 28 -2.309 -1.183 -9.945 1.00 0.00 C ATOM 422 CG ASN A 28 -3.629 -0.620 -9.456 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.506 -1.360 -9.010 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.777 0.697 -9.537 1.00 0.00 N ATOM 0 H ASN A 28 -1.059 -0.558 -7.904 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.545 -2.767 -8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.594 -0.370 -10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.451 -1.635 -10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.644 1.133 -9.223 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.024 1.273 -9.914 1.00 0.00 H new ATOM 431 N HIS A 29 0.275 -2.763 -10.244 1.00 0.00 N ATOM 432 CA HIS A 29 1.184 -3.616 -11.001 1.00 0.00 C ATOM 433 C HIS A 29 1.278 -5.003 -10.372 1.00 0.00 C ATOM 434 O HIS A 29 1.248 -6.016 -11.070 1.00 0.00 O ATOM 435 CB HIS A 29 2.573 -2.981 -11.074 1.00 0.00 C ATOM 436 CG HIS A 29 3.682 -3.979 -11.201 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.607 -5.087 -12.019 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.898 -4.031 -10.610 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.729 -5.778 -11.924 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.530 -5.158 -11.075 1.00 0.00 N ATOM 0 H HIS A 29 0.599 -1.803 -10.125 1.00 0.00 H new ATOM 0 HA HIS A 29 0.788 -3.720 -12.011 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.608 -2.301 -11.925 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.736 -2.381 -10.179 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.810 -5.334 -12.606 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.297 -3.318 -9.904 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.954 -6.694 -12.451 1.00 0.00 H new ATOM 449 N TYR A 30 1.392 -5.040 -9.049 1.00 0.00 N ATOM 450 CA TYR A 30 1.494 -6.302 -8.325 1.00 0.00 C ATOM 451 C TYR A 30 0.198 -7.100 -8.436 1.00 0.00 C ATOM 452 O TYR A 30 0.217 -8.308 -8.675 1.00 0.00 O ATOM 453 CB TYR A 30 1.824 -6.045 -6.854 1.00 0.00 C ATOM 454 CG TYR A 30 3.168 -5.386 -6.641 1.00 0.00 C ATOM 455 CD1 TYR A 30 3.296 -4.003 -6.655 1.00 0.00 C ATOM 456 CD2 TYR A 30 4.310 -6.148 -6.424 1.00 0.00 C ATOM 457 CE1 TYR A 30 4.522 -3.397 -6.461 1.00 0.00 C ATOM 458 CE2 TYR A 30 5.540 -5.550 -6.228 1.00 0.00 C ATOM 459 CZ TYR A 30 5.641 -4.174 -6.248 1.00 0.00 C ATOM 460 OH TYR A 30 6.864 -3.575 -6.053 1.00 0.00 O ATOM 0 H TYR A 30 1.416 -4.211 -8.456 1.00 0.00 H new ATOM 0 HA TYR A 30 2.298 -6.885 -8.774 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.047 -5.415 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.804 -6.992 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.422 -3.391 -6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.235 -7.225 -6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.604 -2.320 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.418 -6.156 -6.060 1.00 0.00 H new ATOM 0 HH TYR A 30 6.757 -2.797 -5.467 1.00 0.00 H new ATOM 470 N LEU A 31 -0.927 -6.415 -8.261 1.00 0.00 N ATOM 471 CA LEU A 31 -2.234 -7.057 -8.342 1.00 0.00 C ATOM 472 C LEU A 31 -2.479 -7.621 -9.738 1.00 0.00 C ATOM 473 O LEU A 31 -3.043 -8.704 -9.891 1.00 0.00 O ATOM 474 CB LEU A 31 -3.337 -6.061 -7.981 1.00 0.00 C ATOM 475 CG LEU A 31 -3.445 -5.686 -6.503 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.561 -4.674 -6.289 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.678 -6.926 -5.653 1.00 0.00 C ATOM 0 H LEU A 31 -0.960 -5.415 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.250 -7.882 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.178 -5.149 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.293 -6.476 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.504 -5.230 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.623 -4.419 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.352 -3.774 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.509 -5.103 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.752 -6.639 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.604 -7.411 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.845 -7.617 -5.782 1.00 0.00 H new ATOM 489 N ALA A 32 -2.048 -6.879 -10.753 1.00 0.00 N ATOM 490 CA ALA A 32 -2.216 -7.307 -12.137 1.00 0.00 C ATOM 491 C ALA A 32 -1.296 -8.477 -12.465 1.00 0.00 C ATOM 492 O ALA A 32 -1.742 -9.511 -12.965 1.00 0.00 O ATOM 493 CB ALA A 32 -1.955 -6.145 -13.084 1.00 0.00 C ATOM 0 H ALA A 32 -1.580 -5.979 -10.643 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.245 -7.642 -12.266 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.084 -6.479 -14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.658 -5.339 -12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.936 -5.784 -12.945 1.00 0.00 H new ATOM 499 N LYS A 33 -0.008 -8.309 -12.183 1.00 0.00 N ATOM 500 CA LYS A 33 0.976 -9.351 -12.448 1.00 0.00 C ATOM 501 C LYS A 33 0.645 -10.622 -11.673 1.00 0.00 C ATOM 502 O LYS A 33 0.939 -11.730 -12.124 1.00 0.00 O ATOM 503 CB LYS A 33 2.378 -8.864 -12.073 1.00 0.00 C ATOM 504 CG LYS A 33 2.772 -9.188 -10.642 1.00 0.00 C ATOM 505 CD LYS A 33 4.232 -8.859 -10.378 1.00 0.00 C ATOM 506 CE LYS A 33 4.777 -9.651 -9.199 1.00 0.00 C ATOM 507 NZ LYS A 33 4.602 -8.922 -7.913 1.00 0.00 N ATOM 0 H LYS A 33 0.378 -7.460 -11.771 1.00 0.00 H new ATOM 0 HA LYS A 33 0.949 -9.579 -13.514 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.103 -9.314 -12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.430 -7.785 -12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.141 -8.626 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.595 -10.245 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.822 -9.077 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.336 -7.792 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.269 -10.614 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.835 -9.857 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.844 -9.552 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.227 -8.091 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.613 -8.614 -7.821 1.00 0.00 H new ATOM 521 N SER A 34 0.029 -10.456 -10.507 1.00 0.00 N ATOM 522 CA SER A 34 -0.340 -11.591 -9.669 1.00 0.00 C ATOM 523 C SER A 34 -1.636 -12.230 -10.160 1.00 0.00 C ATOM 524 O SER A 34 -2.043 -13.285 -9.677 1.00 0.00 O ATOM 525 CB SER A 34 -0.498 -11.147 -8.213 1.00 0.00 C ATOM 526 OG SER A 34 -0.365 -12.246 -7.328 1.00 0.00 O ATOM 0 H SER A 34 -0.225 -9.547 -10.121 1.00 0.00 H new ATOM 0 HA SER A 34 0.457 -12.332 -9.732 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.252 -10.392 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.474 -10.681 -8.075 1.00 0.00 H new ATOM 0 HG SER A 34 -0.822 -13.027 -7.705 1.00 0.00 H new ATOM 532 N GLY A 35 -2.279 -11.581 -11.127 1.00 0.00 N ATOM 533 CA GLY A 35 -3.522 -12.099 -11.668 1.00 0.00 C ATOM 534 C GLY A 35 -4.720 -11.745 -10.811 1.00 0.00 C ATOM 535 O GLY A 35 -5.388 -12.626 -10.269 1.00 0.00 O ATOM 0 H GLY A 35 -1.961 -10.706 -11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.669 -11.704 -12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.451 -13.183 -11.758 1.00 0.00 H new ATOM 539 N HIS A 36 -4.995 -10.450 -10.687 1.00 0.00 N ATOM 540 CA HIS A 36 -6.121 -9.980 -9.888 1.00 0.00 C ATOM 541 C HIS A 36 -7.145 -9.263 -10.762 1.00 0.00 C ATOM 542 O HIS A 36 -6.817 -8.763 -11.839 1.00 0.00 O ATOM 543 CB HIS A 36 -5.634 -9.045 -8.781 1.00 0.00 C ATOM 544 CG HIS A 36 -6.484 -9.082 -7.548 1.00 0.00 C ATOM 545 ND1 HIS A 36 -7.276 -8.026 -7.148 1.00 0.00 N ATOM 546 CD2 HIS A 36 -6.665 -10.057 -6.627 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.905 -8.349 -6.033 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.553 -9.577 -5.695 1.00 0.00 N ATOM 0 H HIS A 36 -4.453 -9.708 -11.130 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.600 -10.848 -9.435 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.611 -9.312 -8.515 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.608 -8.025 -9.164 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.362 -7.135 -7.637 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.198 -11.031 -6.625 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.591 -7.717 -5.489 1.00 0.00 H new ATOM 557 N LYS A 37 -8.387 -9.216 -10.293 1.00 0.00 N ATOM 558 CA LYS A 37 -9.461 -8.560 -11.030 1.00 0.00 C ATOM 559 C LYS A 37 -9.630 -7.115 -10.573 1.00 0.00 C ATOM 560 O LYS A 37 -9.268 -6.181 -11.289 1.00 0.00 O ATOM 561 CB LYS A 37 -10.775 -9.322 -10.845 1.00 0.00 C ATOM 562 CG LYS A 37 -10.900 -10.545 -11.738 1.00 0.00 C ATOM 563 CD LYS A 37 -11.233 -10.158 -13.169 1.00 0.00 C ATOM 564 CE LYS A 37 -11.526 -11.382 -14.023 1.00 0.00 C ATOM 565 NZ LYS A 37 -12.081 -11.010 -15.354 1.00 0.00 N ATOM 0 H LYS A 37 -8.675 -9.625 -9.404 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.195 -8.560 -12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.862 -9.632 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.608 -8.648 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.966 -11.107 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.676 -11.204 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.097 -9.493 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.400 -9.603 -13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.610 -11.957 -14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.233 -12.027 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.267 -11.872 -15.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.968 -10.483 -15.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.396 -10.415 -15.862 1.00 0.00 H new ATOM 579 N ARG A 38 -10.181 -6.938 -9.377 1.00 0.00 N ATOM 580 CA ARG A 38 -10.397 -5.606 -8.825 1.00 0.00 C ATOM 581 C ARG A 38 -9.070 -4.887 -8.603 1.00 0.00 C ATOM 582 O ARG A 38 -8.136 -5.448 -8.027 1.00 0.00 O ATOM 583 CB ARG A 38 -11.167 -5.697 -7.506 1.00 0.00 C ATOM 584 CG ARG A 38 -11.288 -4.367 -6.779 1.00 0.00 C ATOM 585 CD ARG A 38 -11.537 -4.566 -5.292 1.00 0.00 C ATOM 586 NE ARG A 38 -12.961 -4.647 -4.981 1.00 0.00 N ATOM 587 CZ ARG A 38 -13.819 -3.657 -5.202 1.00 0.00 C ATOM 588 NH1 ARG A 38 -13.398 -2.517 -5.732 1.00 0.00 N ATOM 589 NH2 ARG A 38 -15.101 -3.806 -4.892 1.00 0.00 N ATOM 0 H ARG A 38 -10.486 -7.700 -8.772 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.984 -5.033 -9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.166 -6.085 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.670 -6.414 -6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.375 -3.788 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.104 -3.788 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.041 -5.478 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.091 -3.741 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.317 -5.511 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.413 -2.399 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.059 -1.758 -5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.429 -4.681 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.759 -3.045 -5.062 1.00 0.00 H new ATOM 603 N LEU A 39 -8.992 -3.644 -9.064 1.00 0.00 N ATOM 604 CA LEU A 39 -7.779 -2.847 -8.916 1.00 0.00 C ATOM 605 C LEU A 39 -7.909 -1.867 -7.755 1.00 0.00 C ATOM 606 O LEU A 39 -8.903 -1.879 -7.027 1.00 0.00 O ATOM 607 CB LEU A 39 -7.484 -2.086 -10.210 1.00 0.00 C ATOM 608 CG LEU A 39 -6.855 -2.902 -11.340 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.873 -2.115 -12.641 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.433 -3.306 -10.978 1.00 0.00 C ATOM 0 H LEU A 39 -9.755 -3.166 -9.544 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.952 -3.525 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.416 -1.655 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.819 -1.255 -9.976 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.444 -3.808 -11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.421 -2.712 -13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.903 -1.877 -12.908 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.308 -1.191 -12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.001 -3.886 -11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.832 -2.412 -10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.446 -3.910 -10.071 1.00 0.00 H new ATOM 622 N ILE A 40 -6.901 -1.018 -7.588 1.00 0.00 N ATOM 623 CA ILE A 40 -6.904 -0.029 -6.518 1.00 0.00 C ATOM 624 C ILE A 40 -7.394 1.325 -7.021 1.00 0.00 C ATOM 625 O ILE A 40 -6.655 2.058 -7.678 1.00 0.00 O ATOM 626 CB ILE A 40 -5.502 0.141 -5.904 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.153 -1.067 -5.033 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.432 1.425 -5.090 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.724 -1.061 -4.536 1.00 0.00 C ATOM 0 H ILE A 40 -6.071 -0.995 -8.181 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.585 -0.397 -5.751 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.773 0.206 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.827 -1.094 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.327 -1.979 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.435 1.531 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.642 2.277 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.169 1.388 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.547 -1.946 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.043 -1.065 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.551 -0.167 -3.937 1.00 0.00 H new ATOM 641 N ARG A 41 -8.644 1.650 -6.707 1.00 0.00 N ATOM 642 CA ARG A 41 -9.232 2.916 -7.128 1.00 0.00 C ATOM 643 C ARG A 41 -8.774 4.055 -6.222 1.00 0.00 C ATOM 644 O ARG A 41 -8.091 4.978 -6.667 1.00 0.00 O ATOM 645 CB ARG A 41 -10.759 2.822 -7.114 1.00 0.00 C ATOM 646 CG ARG A 41 -11.333 2.063 -8.300 1.00 0.00 C ATOM 647 CD ARG A 41 -11.293 2.900 -9.569 1.00 0.00 C ATOM 648 NE ARG A 41 -11.282 2.071 -10.771 1.00 0.00 N ATOM 649 CZ ARG A 41 -10.245 1.330 -11.142 1.00 0.00 C ATOM 650 NH1 ARG A 41 -9.140 1.314 -10.409 1.00 0.00 N ATOM 651 NH2 ARG A 41 -10.311 0.602 -12.250 1.00 0.00 N ATOM 0 H ARG A 41 -9.269 1.055 -6.163 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.896 3.125 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.076 2.333 -6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.177 3.829 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.769 1.143 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.362 1.775 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.158 3.563 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.406 3.534 -9.558 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.116 2.061 -11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.085 1.872 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.345 0.743 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.159 0.612 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.514 0.033 -12.535 1.00 0.00 H new ATOM 665 N ASP A 42 -9.155 3.984 -4.952 1.00 0.00 N ATOM 666 CA ASP A 42 -8.783 5.009 -3.983 1.00 0.00 C ATOM 667 C ASP A 42 -7.871 4.433 -2.905 1.00 0.00 C ATOM 668 O ASP A 42 -8.338 3.816 -1.947 1.00 0.00 O ATOM 669 CB ASP A 42 -10.033 5.613 -3.342 1.00 0.00 C ATOM 670 CG ASP A 42 -10.565 6.802 -4.118 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.356 6.850 -5.348 1.00 0.00 O ATOM 672 OD2 ASP A 42 -11.190 7.685 -3.494 1.00 0.00 O ATOM 0 H ASP A 42 -9.721 3.227 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.240 5.793 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.808 4.850 -3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.802 5.922 -2.323 1.00 0.00 H new ATOM 677 N LEU A 43 -6.568 4.637 -3.068 1.00 0.00 N ATOM 678 CA LEU A 43 -5.590 4.136 -2.109 1.00 0.00 C ATOM 679 C LEU A 43 -6.056 4.382 -0.677 1.00 0.00 C ATOM 680 O LEU A 43 -5.756 3.600 0.225 1.00 0.00 O ATOM 681 CB LEU A 43 -4.234 4.806 -2.338 1.00 0.00 C ATOM 682 CG LEU A 43 -3.030 4.123 -1.688 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.690 2.832 -2.417 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.830 5.059 -1.671 1.00 0.00 C ATOM 0 H LEU A 43 -6.165 5.146 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.488 3.061 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.057 4.865 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.290 5.830 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.289 3.878 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.831 2.360 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.544 2.156 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.451 3.054 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.983 4.556 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.570 5.336 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.076 5.956 -1.103 1.00 0.00 H new ATOM 696 N GLN A 44 -6.791 5.471 -0.478 1.00 0.00 N ATOM 697 CA GLN A 44 -7.299 5.818 0.844 1.00 0.00 C ATOM 698 C GLN A 44 -8.388 4.843 1.281 1.00 0.00 C ATOM 699 O GLN A 44 -8.446 4.445 2.444 1.00 0.00 O ATOM 700 CB GLN A 44 -7.846 7.246 0.844 1.00 0.00 C ATOM 701 CG GLN A 44 -6.766 8.312 0.754 1.00 0.00 C ATOM 702 CD GLN A 44 -7.331 9.697 0.513 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.637 10.067 -0.622 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.475 10.473 1.581 1.00 0.00 N ATOM 0 H GLN A 44 -7.048 6.128 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.473 5.753 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.531 7.363 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.426 7.404 1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.187 8.316 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.078 8.059 -0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.209 10.127 2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.852 11.415 1.480 1.00 0.00 H new ATOM 713 N GLN A 45 -9.249 4.465 0.342 1.00 0.00 N ATOM 714 CA GLN A 45 -10.336 3.538 0.632 1.00 0.00 C ATOM 715 C GLN A 45 -9.860 2.092 0.536 1.00 0.00 C ATOM 716 O GLN A 45 -9.982 1.323 1.489 1.00 0.00 O ATOM 717 CB GLN A 45 -11.502 3.768 -0.332 1.00 0.00 C ATOM 718 CG GLN A 45 -12.382 4.947 0.049 1.00 0.00 C ATOM 719 CD GLN A 45 -13.470 4.568 1.035 1.00 0.00 C ATOM 720 OE1 GLN A 45 -13.301 4.708 2.247 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.595 4.086 0.520 1.00 0.00 N ATOM 0 H GLN A 45 -9.215 4.786 -0.626 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.674 3.723 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.107 3.929 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.113 2.867 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.763 5.733 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.839 5.360 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.692 3.987 -0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.362 3.815 1.135 1.00 0.00 H new ATOM 730 N ASP A 46 -9.316 1.730 -0.621 1.00 0.00 N ATOM 731 CA ASP A 46 -8.820 0.376 -0.842 1.00 0.00 C ATOM 732 C ASP A 46 -8.050 -0.125 0.375 1.00 0.00 C ATOM 733 O ASP A 46 -7.922 -1.331 0.589 1.00 0.00 O ATOM 734 CB ASP A 46 -7.925 0.334 -2.081 1.00 0.00 C ATOM 735 CG ASP A 46 -8.720 0.367 -3.371 1.00 0.00 C ATOM 736 OD1 ASP A 46 -9.589 -0.511 -3.554 1.00 0.00 O ATOM 737 OD2 ASP A 46 -8.472 1.269 -4.199 1.00 0.00 O ATOM 0 H ASP A 46 -9.207 2.355 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.677 -0.278 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.239 1.181 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.317 -0.570 -2.056 1.00 0.00 H new ATOM 742 N VAL A 47 -7.536 0.808 1.170 1.00 0.00 N ATOM 743 CA VAL A 47 -6.777 0.461 2.366 1.00 0.00 C ATOM 744 C VAL A 47 -7.568 0.779 3.630 1.00 0.00 C ATOM 745 O VAL A 47 -7.014 1.260 4.619 1.00 0.00 O ATOM 746 CB VAL A 47 -5.432 1.209 2.414 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.671 1.023 1.110 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.653 2.685 2.706 1.00 0.00 C ATOM 0 H VAL A 47 -7.631 1.810 1.007 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.586 -0.611 2.320 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.831 0.789 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.723 1.559 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.480 -0.038 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.264 1.415 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.692 3.198 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.273 3.122 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.153 2.795 3.668 1.00 0.00 H new ATOM 758 N THR A 48 -8.869 0.508 3.592 1.00 0.00 N ATOM 759 CA THR A 48 -9.738 0.766 4.733 1.00 0.00 C ATOM 760 C THR A 48 -9.996 -0.510 5.527 1.00 0.00 C ATOM 761 O THR A 48 -10.250 -0.463 6.731 1.00 0.00 O ATOM 762 CB THR A 48 -11.087 1.362 4.289 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.627 0.599 3.205 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.923 2.813 3.863 1.00 0.00 C ATOM 0 H THR A 48 -9.344 0.109 2.782 1.00 0.00 H new ATOM 0 HA THR A 48 -9.222 1.487 5.366 1.00 0.00 H new ATOM 0 HB THR A 48 -11.772 1.324 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.442 1.057 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.889 3.213 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.540 3.397 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.223 2.871 3.030 1.00 0.00 H new ATOM 772 N ASP A 49 -9.928 -1.649 4.846 1.00 0.00 N ATOM 773 CA ASP A 49 -10.152 -2.938 5.489 1.00 0.00 C ATOM 774 C ASP A 49 -8.845 -3.712 5.625 1.00 0.00 C ATOM 775 O ASP A 49 -8.752 -4.664 6.400 1.00 0.00 O ATOM 776 CB ASP A 49 -11.165 -3.761 4.691 1.00 0.00 C ATOM 777 CG ASP A 49 -12.191 -2.893 3.989 1.00 0.00 C ATOM 778 OD1 ASP A 49 -12.825 -2.057 4.668 1.00 0.00 O ATOM 779 OD2 ASP A 49 -12.359 -3.048 2.762 1.00 0.00 O ATOM 0 H ASP A 49 -9.720 -1.705 3.849 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.550 -2.754 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.637 -4.364 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.676 -4.452 5.361 1.00 0.00 H new ATOM 784 N GLY A 50 -7.835 -3.298 4.866 1.00 0.00 N ATOM 785 CA GLY A 50 -6.547 -3.964 4.916 1.00 0.00 C ATOM 786 C GLY A 50 -6.471 -5.152 3.977 1.00 0.00 C ATOM 787 O GLY A 50 -5.383 -5.586 3.600 1.00 0.00 O ATOM 0 H GLY A 50 -7.886 -2.513 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.763 -3.252 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.353 -4.298 5.935 1.00 0.00 H new ATOM 791 N VAL A 51 -7.631 -5.681 3.601 1.00 0.00 N ATOM 792 CA VAL A 51 -7.692 -6.827 2.701 1.00 0.00 C ATOM 793 C VAL A 51 -6.923 -6.556 1.413 1.00 0.00 C ATOM 794 O VAL A 51 -5.862 -7.135 1.177 1.00 0.00 O ATOM 795 CB VAL A 51 -9.148 -7.188 2.351 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.188 -8.276 1.289 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.904 -7.621 3.598 1.00 0.00 C ATOM 0 H VAL A 51 -8.541 -5.335 3.905 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.233 -7.666 3.224 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.637 -6.301 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.225 -8.518 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.685 -7.924 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.683 -9.167 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.931 -7.872 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.418 -8.494 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.906 -6.807 4.323 1.00 0.00 H new ATOM 807 N LEU A 52 -7.465 -5.672 0.582 1.00 0.00 N ATOM 808 CA LEU A 52 -6.829 -5.322 -0.684 1.00 0.00 C ATOM 809 C LEU A 52 -5.393 -4.860 -0.463 1.00 0.00 C ATOM 810 O LEU A 52 -4.503 -5.159 -1.260 1.00 0.00 O ATOM 811 CB LEU A 52 -7.627 -4.226 -1.392 1.00 0.00 C ATOM 812 CG LEU A 52 -7.570 -4.234 -2.920 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.550 -3.224 -3.496 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.156 -3.943 -3.402 1.00 0.00 C ATOM 0 H LEU A 52 -8.343 -5.185 0.762 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.811 -6.213 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.670 -4.309 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.268 -3.259 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.855 -5.226 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.495 -3.244 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.562 -3.477 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.296 -2.226 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.134 -3.953 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.843 -2.963 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.477 -4.705 -3.019 1.00 0.00 H new ATOM 826 N LEU A 53 -5.173 -4.130 0.626 1.00 0.00 N ATOM 827 CA LEU A 53 -3.843 -3.628 0.954 1.00 0.00 C ATOM 828 C LEU A 53 -2.836 -4.770 1.043 1.00 0.00 C ATOM 829 O LEU A 53 -1.743 -4.692 0.484 1.00 0.00 O ATOM 830 CB LEU A 53 -3.879 -2.860 2.276 1.00 0.00 C ATOM 831 CG LEU A 53 -2.589 -2.878 3.098 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.412 -2.411 2.255 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.736 -2.010 4.339 1.00 0.00 C ATOM 0 H LEU A 53 -5.898 -3.873 1.296 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.529 -2.954 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.136 -1.822 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.682 -3.269 2.889 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.397 -3.903 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.503 -2.430 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.294 -3.073 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.595 -1.395 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.809 -2.034 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.952 -0.984 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.553 -2.389 4.954 1.00 0.00 H new ATOM 845 N ALA A 54 -3.214 -5.832 1.748 1.00 0.00 N ATOM 846 CA ALA A 54 -2.346 -6.992 1.907 1.00 0.00 C ATOM 847 C ALA A 54 -2.162 -7.725 0.582 1.00 0.00 C ATOM 848 O ALA A 54 -1.069 -8.198 0.272 1.00 0.00 O ATOM 849 CB ALA A 54 -2.912 -7.934 2.959 1.00 0.00 C ATOM 0 H ALA A 54 -4.116 -5.912 2.218 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.368 -6.641 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.254 -8.796 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.986 -7.412 3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.902 -8.270 2.651 1.00 0.00 H new ATOM 855 N GLN A 55 -3.237 -7.815 -0.194 1.00 0.00 N ATOM 856 CA GLN A 55 -3.192 -8.492 -1.484 1.00 0.00 C ATOM 857 C GLN A 55 -1.909 -8.150 -2.234 1.00 0.00 C ATOM 858 O GLN A 55 -1.400 -8.958 -3.012 1.00 0.00 O ATOM 859 CB GLN A 55 -4.408 -8.107 -2.328 1.00 0.00 C ATOM 860 CG GLN A 55 -5.729 -8.587 -1.748 1.00 0.00 C ATOM 861 CD GLN A 55 -6.899 -8.343 -2.680 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.829 -9.148 -2.751 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.860 -7.230 -3.402 1.00 0.00 N ATOM 0 H GLN A 55 -4.149 -7.428 0.048 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.210 -9.567 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.439 -7.022 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.290 -8.520 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.660 -9.653 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.912 -8.079 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.070 -6.591 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.620 -7.014 -4.047 1.00 0.00 H new ATOM 872 N ILE A 56 -1.392 -6.949 -1.996 1.00 0.00 N ATOM 873 CA ILE A 56 -0.168 -6.502 -2.649 1.00 0.00 C ATOM 874 C ILE A 56 1.057 -6.829 -1.802 1.00 0.00 C ATOM 875 O ILE A 56 1.964 -7.531 -2.251 1.00 0.00 O ATOM 876 CB ILE A 56 -0.198 -4.987 -2.924 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.439 -4.619 -3.740 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.067 -4.555 -3.650 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.639 -4.267 -2.889 1.00 0.00 C ATOM 0 H ILE A 56 -1.802 -6.269 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.104 -7.034 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.244 -4.461 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.202 -3.774 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.697 -5.455 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.031 -3.482 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.937 -4.787 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.141 -5.086 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.482 -4.017 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.902 -5.118 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.399 -3.412 -2.258 1.00 0.00 H new ATOM 891 N ILE A 57 1.076 -6.318 -0.576 1.00 0.00 N ATOM 892 CA ILE A 57 2.189 -6.559 0.334 1.00 0.00 C ATOM 893 C ILE A 57 2.693 -7.994 0.219 1.00 0.00 C ATOM 894 O ILE A 57 3.888 -8.229 0.046 1.00 0.00 O ATOM 895 CB ILE A 57 1.791 -6.283 1.796 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.324 -4.834 1.955 1.00 0.00 C ATOM 897 CG2 ILE A 57 2.958 -6.574 2.727 1.00 0.00 C ATOM 898 CD1 ILE A 57 0.908 -4.485 3.367 1.00 0.00 C ATOM 0 H ILE A 57 0.334 -5.735 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 57 2.985 -5.872 0.047 1.00 0.00 H new ATOM 0 HB ILE A 57 0.966 -6.943 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.128 -4.166 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.485 -4.655 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.661 -6.374 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.249 -7.620 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.802 -5.937 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.589 -3.443 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.083 -5.129 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.752 -4.631 4.042 1.00 0.00 H new ATOM 910 N GLN A 58 1.772 -8.948 0.314 1.00 0.00 N ATOM 911 CA GLN A 58 2.124 -10.360 0.219 1.00 0.00 C ATOM 912 C GLN A 58 2.759 -10.673 -1.132 1.00 0.00 C ATOM 913 O GLN A 58 3.642 -11.525 -1.232 1.00 0.00 O ATOM 914 CB GLN A 58 0.884 -11.231 0.428 1.00 0.00 C ATOM 915 CG GLN A 58 0.339 -11.183 1.846 1.00 0.00 C ATOM 916 CD GLN A 58 -0.993 -11.895 1.984 1.00 0.00 C ATOM 917 OE1 GLN A 58 -1.899 -11.415 2.665 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.118 -13.048 1.336 1.00 0.00 N ATOM 0 H GLN A 58 0.778 -8.769 0.456 1.00 0.00 H new ATOM 0 HA GLN A 58 2.851 -10.581 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.104 -10.910 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.128 -12.263 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.061 -11.637 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.224 -10.143 2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.341 -13.409 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.991 -13.572 1.392 1.00 0.00 H new ATOM 927 N VAL A 59 2.302 -9.980 -2.170 1.00 0.00 N ATOM 928 CA VAL A 59 2.826 -10.184 -3.515 1.00 0.00 C ATOM 929 C VAL A 59 4.210 -9.563 -3.666 1.00 0.00 C ATOM 930 O VAL A 59 5.179 -10.251 -3.988 1.00 0.00 O ATOM 931 CB VAL A 59 1.888 -9.583 -4.579 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.458 -9.794 -5.974 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.497 -10.189 -4.466 1.00 0.00 C ATOM 0 H VAL A 59 1.570 -9.273 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 59 2.895 -11.261 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 59 1.808 -8.510 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.782 -9.363 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.431 -9.309 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.570 -10.862 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.153 -9.753 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.557 -11.267 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.089 -9.982 -3.477 1.00 0.00 H new ATOM 943 N VAL A 60 4.297 -8.258 -3.430 1.00 0.00 N ATOM 944 CA VAL A 60 5.564 -7.544 -3.538 1.00 0.00 C ATOM 945 C VAL A 60 6.606 -8.130 -2.592 1.00 0.00 C ATOM 946 O VAL A 60 7.808 -8.025 -2.836 1.00 0.00 O ATOM 947 CB VAL A 60 5.391 -6.045 -3.229 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.748 -5.851 -1.864 1.00 0.00 C ATOM 949 CG2 VAL A 60 6.731 -5.329 -3.302 1.00 0.00 C ATOM 0 H VAL A 60 3.505 -7.673 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 60 5.906 -7.658 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 60 4.731 -5.611 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.634 -4.786 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.769 -6.329 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.380 -6.299 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.591 -4.271 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.416 -5.764 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.148 -5.438 -4.303 1.00 0.00 H new ATOM 959 N ALA A 61 6.138 -8.747 -1.513 1.00 0.00 N ATOM 960 CA ALA A 61 7.030 -9.352 -0.531 1.00 0.00 C ATOM 961 C ALA A 61 7.159 -10.855 -0.759 1.00 0.00 C ATOM 962 O ALA A 61 8.098 -11.487 -0.277 1.00 0.00 O ATOM 963 CB ALA A 61 6.532 -9.071 0.879 1.00 0.00 C ATOM 0 H ALA A 61 5.146 -8.841 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 61 8.018 -8.906 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.208 -9.529 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.498 -7.994 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.533 -9.488 1.002 1.00 0.00 H new ATOM 969 N ASN A 62 6.209 -11.420 -1.497 1.00 0.00 N ATOM 970 CA ASN A 62 6.216 -12.849 -1.788 1.00 0.00 C ATOM 971 C ASN A 62 6.009 -13.664 -0.515 1.00 0.00 C ATOM 972 O ASN A 62 6.508 -14.782 -0.394 1.00 0.00 O ATOM 973 CB ASN A 62 7.535 -13.249 -2.453 1.00 0.00 C ATOM 974 CG ASN A 62 7.982 -12.247 -3.500 1.00 0.00 C ATOM 975 OD1 ASN A 62 8.911 -11.471 -3.276 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.319 -12.258 -4.651 1.00 0.00 N ATOM 0 H ASN A 62 5.425 -10.910 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 62 5.393 -13.059 -2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.309 -13.344 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.422 -14.229 -2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.574 -11.606 -5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.555 -12.919 -4.793 1.00 0.00 H new ATOM 983 N GLU A 63 5.267 -13.096 0.431 1.00 0.00 N ATOM 984 CA GLU A 63 4.994 -13.770 1.695 1.00 0.00 C ATOM 985 C GLU A 63 3.512 -13.681 2.049 1.00 0.00 C ATOM 986 O GLU A 63 2.791 -12.820 1.544 1.00 0.00 O ATOM 987 CB GLU A 63 5.836 -13.159 2.817 1.00 0.00 C ATOM 988 CG GLU A 63 6.201 -14.148 3.911 1.00 0.00 C ATOM 989 CD GLU A 63 7.461 -14.929 3.595 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.565 -14.390 3.822 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.344 -16.078 3.120 1.00 0.00 O ATOM 0 H GLU A 63 4.845 -12.171 0.346 1.00 0.00 H new ATOM 0 HA GLU A 63 5.261 -14.821 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.751 -12.748 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.288 -12.327 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.337 -13.611 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.374 -14.843 4.058 1.00 0.00 H new ATOM 998 N LYS A 64 3.064 -14.578 2.921 1.00 0.00 N ATOM 999 CA LYS A 64 1.669 -14.603 3.345 1.00 0.00 C ATOM 1000 C LYS A 64 1.529 -14.115 4.783 1.00 0.00 C ATOM 1001 O LYS A 64 2.326 -14.475 5.651 1.00 0.00 O ATOM 1002 CB LYS A 64 1.101 -16.018 3.217 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.315 -16.155 3.749 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.614 -17.581 4.181 1.00 0.00 C ATOM 1005 CE LYS A 64 -0.875 -18.482 2.984 1.00 0.00 C ATOM 1006 NZ LYS A 64 0.384 -19.066 2.444 1.00 0.00 N ATOM 0 H LYS A 64 3.647 -15.298 3.348 1.00 0.00 H new ATOM 0 HA LYS A 64 1.106 -13.932 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.116 -16.313 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.750 -16.711 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.453 -15.481 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.025 -15.851 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.226 -17.972 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.482 -17.588 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.552 -19.285 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.375 -17.911 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.172 -19.963 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.812 -18.402 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.048 -19.241 3.225 1.00 0.00 H new ATOM 1020 N ILE A 65 0.512 -13.296 5.029 1.00 0.00 N ATOM 1021 CA ILE A 65 0.267 -12.762 6.364 1.00 0.00 C ATOM 1022 C ILE A 65 -0.832 -13.543 7.075 1.00 0.00 C ATOM 1023 O ILE A 65 -2.017 -13.353 6.803 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.127 -11.275 6.311 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.865 -10.492 5.449 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.191 -10.694 7.715 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.403 -9.090 5.117 1.00 0.00 C ATOM 0 H ILE A 65 -0.156 -12.988 4.322 1.00 0.00 H new ATOM 0 HA ILE A 65 1.199 -12.863 6.921 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.116 -11.192 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.821 -10.437 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.038 -11.038 4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.471 -9.642 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.933 -11.237 8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.785 -10.786 8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.156 -8.594 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.538 -9.137 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.258 -8.527 6.039 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.431 -14.421 7.989 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.383 -15.231 8.740 1.00 0.00 C ATOM 1041 C GLU A 66 -2.140 -14.378 9.755 1.00 0.00 C ATOM 1042 O GLU A 66 -3.108 -14.833 10.364 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.661 -16.374 9.456 1.00 0.00 C ATOM 1044 CG GLU A 66 0.089 -17.303 8.516 1.00 0.00 C ATOM 1045 CD GLU A 66 0.636 -18.529 9.222 1.00 0.00 C ATOM 1046 OE1 GLU A 66 1.722 -18.427 9.830 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -0.020 -19.590 9.165 1.00 0.00 O ATOM 0 H GLU A 66 0.546 -14.589 8.227 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.101 -15.650 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.042 -15.954 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.389 -16.954 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.578 -17.618 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.911 -16.758 8.052 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.690 -13.140 9.931 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.324 -12.223 10.871 1.00 0.00 C ATOM 1056 C ASP A 67 -3.352 -11.345 10.164 1.00 0.00 C ATOM 1057 O ASP A 67 -3.525 -10.176 10.509 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.271 -11.349 11.553 1.00 0.00 C ATOM 1059 CG ASP A 67 -1.829 -10.589 12.740 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -2.933 -10.942 13.203 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -1.161 -9.641 13.205 1.00 0.00 O ATOM 0 H ASP A 67 -0.889 -12.749 9.435 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.838 -12.816 11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.442 -11.975 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.867 -10.641 10.829 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.028 -11.915 9.173 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.038 -11.184 8.418 1.00 0.00 C ATOM 1068 C ILE A 68 -6.425 -11.777 8.637 1.00 0.00 C ATOM 1069 O ILE A 68 -6.659 -12.953 8.362 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.724 -11.184 6.910 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.346 -10.569 6.654 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.799 -10.428 6.145 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.287 -9.084 6.933 1.00 0.00 C ATOM 0 H ILE A 68 -3.895 -12.881 8.874 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.023 -10.157 8.784 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.712 -12.215 6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.609 -11.077 7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.065 -10.747 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.563 -10.437 5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.765 -10.907 6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.841 -9.398 6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.281 -8.715 6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.000 -8.565 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.537 -8.900 7.978 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.344 -10.954 9.132 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.710 -11.397 9.387 1.00 0.00 C ATOM 1087 C ASN A 69 -9.327 -12.007 8.132 1.00 0.00 C ATOM 1088 O ASN A 69 -9.834 -13.127 8.158 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.566 -10.226 9.873 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.992 -10.640 10.178 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.309 -11.829 10.224 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.861 -9.658 10.389 1.00 0.00 N ATOM 0 H ASN A 69 -7.167 -9.977 9.365 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.679 -12.162 10.163 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.116 -9.797 10.768 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.572 -9.444 9.114 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.835 -9.875 10.599 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.554 -8.686 10.341 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.280 -11.259 7.033 1.00 0.00 N ATOM 1100 CA GLY A 70 -9.837 -11.742 5.783 1.00 0.00 C ATOM 1101 C GLY A 70 -11.199 -11.146 5.487 1.00 0.00 C ATOM 1102 O GLY A 70 -11.424 -10.605 4.404 1.00 0.00 O ATOM 0 H GLY A 70 -8.866 -10.328 6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.154 -11.503 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.920 -12.828 5.821 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.108 -11.246 6.449 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.457 -10.714 6.285 1.00 0.00 C ATOM 1108 C CYS A 71 -13.878 -9.914 7.513 1.00 0.00 C ATOM 1109 O CYS A 71 -14.592 -10.403 8.389 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.449 -11.851 6.037 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.159 -12.762 4.503 1.00 0.00 S ATOM 0 H CYS A 71 -11.937 -11.690 7.351 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.457 -10.048 5.422 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.404 -12.547 6.874 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.458 -11.440 6.018 1.00 0.00 H new ATOM 0 HG CYS A 71 -15.047 -13.704 4.383 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.426 -8.653 7.581 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.743 -7.757 8.698 1.00 0.00 C ATOM 1119 C PRO A 72 -15.209 -7.336 8.705 1.00 0.00 C ATOM 1120 O PRO A 72 -15.708 -6.772 7.732 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.840 -6.547 8.450 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.589 -6.556 6.981 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.571 -8.003 6.573 1.00 0.00 C ATOM 0 HA PRO A 72 -13.580 -8.236 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.323 -5.622 8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.909 -6.626 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.368 -6.010 6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.642 -6.072 6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.962 -8.141 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.560 -8.410 6.581 1.00 0.00 H new ATOM 1131 N LYS A 73 -15.894 -7.613 9.810 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.302 -7.262 9.946 1.00 0.00 C ATOM 1133 C LYS A 73 -17.489 -6.151 10.974 1.00 0.00 C ATOM 1134 O LYS A 73 -18.323 -5.264 10.799 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.119 -8.491 10.352 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.219 -9.542 9.261 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.205 -9.132 8.180 1.00 0.00 C ATOM 1138 CE LYS A 73 -20.643 -9.295 8.646 1.00 0.00 C ATOM 1139 NZ LYS A 73 -21.150 -10.675 8.411 1.00 0.00 N ATOM 0 H LYS A 73 -15.496 -8.080 10.625 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.656 -6.902 8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.669 -8.940 11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.123 -8.173 10.632 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.236 -9.701 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.530 -10.492 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.028 -8.094 7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.040 -9.736 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.709 -9.060 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -21.278 -8.581 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -22.133 -10.745 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.111 -10.891 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -20.560 -11.355 8.932 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.705 -6.206 12.046 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.784 -5.203 13.102 1.00 0.00 C ATOM 1155 C ASN A 74 -16.032 -3.936 12.707 1.00 0.00 C ATOM 1156 O ASN A 74 -15.262 -3.934 11.747 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.215 -5.762 14.408 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.049 -6.901 14.962 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.096 -7.242 14.412 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -16.587 -7.495 16.056 1.00 0.00 N ATOM 0 H ASN A 74 -16.008 -6.934 12.206 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.834 -4.949 13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.197 -6.111 14.237 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.159 -4.963 15.148 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.105 -8.268 16.474 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.714 -7.179 16.478 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.260 -2.862 13.455 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.604 -1.588 13.183 1.00 0.00 C ATOM 1169 C ARG A 75 -14.130 -1.641 13.573 1.00 0.00 C ATOM 1170 O ARG A 75 -13.284 -1.020 12.930 1.00 0.00 O ATOM 1171 CB ARG A 75 -16.303 -0.458 13.941 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.534 0.853 13.924 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.528 0.923 15.062 1.00 0.00 C ATOM 1174 NE ARG A 75 -14.165 2.300 15.388 1.00 0.00 N ATOM 1175 CZ ARG A 75 -13.475 2.641 16.471 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -13.074 1.711 17.326 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -13.183 3.915 16.698 1.00 0.00 N ATOM 0 H ARG A 75 -16.894 -2.848 14.254 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.672 -1.394 12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -17.290 -0.296 13.507 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.457 -0.766 14.975 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.015 0.960 12.971 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.232 1.687 14.002 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.946 0.439 15.945 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.631 0.367 14.788 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.457 3.040 14.749 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.295 0.730 17.153 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.544 1.976 18.156 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.488 4.633 16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.653 4.176 17.530 1.00 0.00 H new ATOM 1191 N SER A 76 -13.830 -2.387 14.632 1.00 0.00 N ATOM 1192 CA SER A 76 -12.459 -2.518 15.111 1.00 0.00 C ATOM 1193 C SER A 76 -11.733 -3.643 14.380 1.00 0.00 C ATOM 1194 O SER A 76 -10.514 -3.605 14.215 1.00 0.00 O ATOM 1195 CB SER A 76 -12.446 -2.782 16.618 1.00 0.00 C ATOM 1196 OG SER A 76 -13.490 -2.078 17.268 1.00 0.00 O ATOM 0 H SER A 76 -14.518 -2.910 15.174 1.00 0.00 H new ATOM 0 HA SER A 76 -11.939 -1.582 14.909 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.553 -3.851 16.804 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.485 -2.480 17.035 1.00 0.00 H new ATOM 0 HG SER A 76 -13.461 -2.265 18.230 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.492 -4.644 13.945 1.00 0.00 N ATOM 1203 CA GLN A 77 -11.922 -5.781 13.232 1.00 0.00 C ATOM 1204 C GLN A 77 -10.985 -5.313 12.123 1.00 0.00 C ATOM 1205 O GLN A 77 -9.934 -5.910 11.893 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.034 -6.651 12.644 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.509 -7.747 13.584 1.00 0.00 C ATOM 1208 CD GLN A 77 -12.638 -8.987 13.523 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.412 -8.903 13.600 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.269 -10.147 13.383 1.00 0.00 N ATOM 0 H GLN A 77 -13.503 -4.691 14.074 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.346 -6.373 13.944 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.881 -6.016 12.382 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.678 -7.106 11.719 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.520 -7.365 14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.535 -8.016 13.333 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.287 -10.170 13.323 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.736 -11.015 13.335 1.00 0.00 H new ATOM 1219 N MET A 78 -11.375 -4.243 11.438 1.00 0.00 N ATOM 1220 CA MET A 78 -10.570 -3.696 10.352 1.00 0.00 C ATOM 1221 C MET A 78 -9.205 -3.245 10.862 1.00 0.00 C ATOM 1222 O MET A 78 -8.181 -3.496 10.226 1.00 0.00 O ATOM 1223 CB MET A 78 -11.294 -2.520 9.694 1.00 0.00 C ATOM 1224 CG MET A 78 -12.525 -2.931 8.902 1.00 0.00 C ATOM 1225 SD MET A 78 -13.579 -1.531 8.479 1.00 0.00 S ATOM 1226 CE MET A 78 -15.173 -2.127 9.037 1.00 0.00 C ATOM 0 H MET A 78 -12.243 -3.738 11.616 1.00 0.00 H new ATOM 0 HA MET A 78 -10.421 -4.482 9.612 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.589 -1.808 10.465 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.601 -2.003 9.031 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.212 -3.435 7.987 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.101 -3.652 9.482 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.896 -2.046 8.225 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.085 -3.170 9.342 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.509 -1.528 9.883 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.198 -2.581 12.013 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.958 -2.097 12.607 1.00 0.00 C ATOM 1238 C ILE A 79 -6.873 -3.168 12.565 1.00 0.00 C ATOM 1239 O ILE A 79 -5.803 -2.958 11.995 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.169 -1.654 14.067 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.208 -0.533 14.138 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.852 -1.202 14.679 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.984 0.563 13.120 1.00 0.00 C ATOM 0 H ILE A 79 -10.037 -2.366 12.552 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.640 -1.238 12.017 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.540 -2.504 14.639 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.200 -0.958 13.990 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.194 -0.098 15.137 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.018 -0.892 15.711 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.139 -2.026 14.658 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.454 -0.363 14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.757 1.324 13.228 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.005 1.015 13.281 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.028 0.141 12.116 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.159 -4.316 13.170 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.207 -5.421 13.200 1.00 0.00 C ATOM 1257 C GLU A 80 -5.566 -5.623 11.830 1.00 0.00 C ATOM 1258 O GLU A 80 -4.349 -5.519 11.681 1.00 0.00 O ATOM 1259 CB GLU A 80 -6.901 -6.709 13.645 1.00 0.00 C ATOM 1260 CG GLU A 80 -6.914 -6.904 15.152 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.472 -8.253 15.561 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -8.704 -8.436 15.470 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -6.679 -9.125 15.973 1.00 0.00 O ATOM 0 H GLU A 80 -8.041 -4.506 13.646 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.424 -5.173 13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.928 -6.704 13.279 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.402 -7.560 13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.899 -6.803 15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.509 -6.115 15.612 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.394 -5.914 10.832 1.00 0.00 N ATOM 1271 CA ASN A 81 -5.908 -6.132 9.474 1.00 0.00 C ATOM 1272 C ASN A 81 -4.740 -5.204 9.159 1.00 0.00 C ATOM 1273 O ASN A 81 -3.592 -5.641 9.075 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.037 -5.911 8.465 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.046 -7.043 8.469 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.261 -7.695 9.492 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -8.672 -7.282 7.323 1.00 0.00 N ATOM 0 H ASN A 81 -7.404 -6.004 10.938 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.560 -7.162 9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.545 -4.974 8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.613 -5.809 7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.362 -8.031 7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.463 -6.717 6.500 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.041 -3.921 8.985 1.00 0.00 N ATOM 1285 CA ILE A 82 -4.015 -2.931 8.681 1.00 0.00 C ATOM 1286 C ILE A 82 -2.834 -3.050 9.638 1.00 0.00 C ATOM 1287 O ILE A 82 -1.680 -2.894 9.239 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.577 -1.499 8.752 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.730 -1.330 7.761 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.478 -0.484 8.472 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.739 -0.284 8.181 1.00 0.00 C ATOM 0 H ILE A 82 -5.986 -3.543 9.049 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.676 -3.130 7.664 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.959 -1.324 9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.324 -1.061 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.239 -2.287 7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.891 0.523 8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.686 -0.592 9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.069 -0.656 7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.528 -0.218 7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.173 -0.562 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.244 0.683 8.273 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.131 -3.330 10.902 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.093 -3.474 11.917 1.00 0.00 C ATOM 1305 C ASP A 83 -1.099 -4.564 11.528 1.00 0.00 C ATOM 1306 O ASP A 83 0.112 -4.351 11.554 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.719 -3.798 13.274 1.00 0.00 C ATOM 1308 CG ASP A 83 -1.889 -3.282 14.433 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.121 -2.319 14.229 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -2.006 -3.842 15.543 1.00 0.00 O ATOM 0 H ASP A 83 -4.081 -3.462 11.249 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.557 -2.528 11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.717 -3.363 13.324 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.837 -4.878 13.368 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.621 -5.732 11.167 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.780 -6.854 10.771 1.00 0.00 C ATOM 1317 C ALA A 84 0.203 -6.446 9.679 1.00 0.00 C ATOM 1318 O ALA A 84 1.360 -6.868 9.682 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.640 -8.019 10.302 1.00 0.00 C ATOM 0 H ALA A 84 -2.622 -5.925 11.141 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.204 -7.169 11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.998 -8.850 10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.297 -8.336 11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.241 -7.707 9.448 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.265 -5.624 8.746 1.00 0.00 N ATOM 1326 CA CYS A 85 0.573 -5.160 7.646 1.00 0.00 C ATOM 1327 C CYS A 85 1.705 -4.277 8.160 1.00 0.00 C ATOM 1328 O CYS A 85 2.828 -4.333 7.657 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.268 -4.390 6.627 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.696 -5.308 6.004 1.00 0.00 S ATOM 0 H CYS A 85 -1.220 -5.265 8.729 1.00 0.00 H new ATOM 0 HA CYS A 85 1.009 -6.033 7.161 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.616 -3.464 7.085 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.366 -4.111 5.786 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.533 -5.520 6.976 1.00 0.00 H new ATOM 1336 N LEU A 86 1.402 -3.461 9.164 1.00 0.00 N ATOM 1337 CA LEU A 86 2.394 -2.563 9.746 1.00 0.00 C ATOM 1338 C LEU A 86 3.469 -3.349 10.491 1.00 0.00 C ATOM 1339 O LEU A 86 4.657 -3.051 10.381 1.00 0.00 O ATOM 1340 CB LEU A 86 1.719 -1.573 10.697 1.00 0.00 C ATOM 1341 CG LEU A 86 0.654 -0.667 10.077 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.056 0.136 11.155 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.277 0.259 9.043 1.00 0.00 C ATOM 0 H LEU A 86 0.478 -3.403 9.592 1.00 0.00 H new ATOM 0 HA LEU A 86 2.869 -2.012 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.260 -2.136 11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.490 -0.943 11.141 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.083 -1.295 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.810 0.775 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.536 -0.544 11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.669 0.754 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.504 0.896 8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.035 0.880 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.739 -0.335 8.254 1.00 0.00 H new ATOM 1355 N ASN A 87 3.042 -4.355 11.247 1.00 0.00 N ATOM 1356 CA ASN A 87 3.968 -5.185 12.009 1.00 0.00 C ATOM 1357 C ASN A 87 4.709 -6.155 11.093 1.00 0.00 C ATOM 1358 O ASN A 87 5.873 -6.479 11.327 1.00 0.00 O ATOM 1359 CB ASN A 87 3.216 -5.962 13.092 1.00 0.00 C ATOM 1360 CG ASN A 87 2.629 -5.052 14.153 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.342 -4.553 15.023 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.321 -4.834 14.086 1.00 0.00 N ATOM 0 H ASN A 87 2.061 -4.615 11.348 1.00 0.00 H new ATOM 0 HA ASN A 87 4.699 -4.530 12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.416 -6.541 12.631 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.895 -6.674 13.562 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.868 -4.232 14.774 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.769 -5.269 13.347 1.00 0.00 H new ATOM 1369 N PHE A 88 4.026 -6.614 10.050 1.00 0.00 N ATOM 1370 CA PHE A 88 4.619 -7.546 9.098 1.00 0.00 C ATOM 1371 C PHE A 88 5.726 -6.872 8.294 1.00 0.00 C ATOM 1372 O PHE A 88 6.694 -7.517 7.887 1.00 0.00 O ATOM 1373 CB PHE A 88 3.547 -8.094 8.153 1.00 0.00 C ATOM 1374 CG PHE A 88 4.107 -8.699 6.898 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.316 -7.920 5.771 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.425 -10.046 6.844 1.00 0.00 C ATOM 1377 CE1 PHE A 88 4.832 -8.473 4.614 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.941 -10.605 5.691 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.144 -9.818 4.574 1.00 0.00 C ATOM 0 H PHE A 88 3.061 -6.356 9.842 1.00 0.00 H new ATOM 0 HA PHE A 88 5.055 -8.372 9.660 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.960 -8.847 8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.864 -7.288 7.885 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.073 -6.868 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.268 -10.667 7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.991 -7.855 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.186 -11.657 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.546 -10.254 3.671 1.00 0.00 H new ATOM 1389 N LEU A 89 5.577 -5.572 8.067 1.00 0.00 N ATOM 1390 CA LEU A 89 6.563 -4.809 7.311 1.00 0.00 C ATOM 1391 C LEU A 89 7.766 -4.461 8.181 1.00 0.00 C ATOM 1392 O LEU A 89 8.913 -4.608 7.760 1.00 0.00 O ATOM 1393 CB LEU A 89 5.933 -3.530 6.757 1.00 0.00 C ATOM 1394 CG LEU A 89 5.004 -3.706 5.555 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.437 -2.364 5.117 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.742 -4.376 4.404 1.00 0.00 C ATOM 0 H LEU A 89 4.782 -5.024 8.396 1.00 0.00 H new ATOM 0 HA LEU A 89 6.905 -5.427 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.371 -3.049 7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.734 -2.847 6.475 1.00 0.00 H new ATOM 0 HG LEU A 89 4.175 -4.348 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.778 -2.509 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.873 -1.922 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.253 -1.698 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.066 -4.493 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.591 -3.759 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.099 -5.356 4.722 1.00 0.00 H new ATOM 1408 N ALA A 90 7.496 -3.999 9.398 1.00 0.00 N ATOM 1409 CA ALA A 90 8.556 -3.634 10.329 1.00 0.00 C ATOM 1410 C ALA A 90 9.549 -4.777 10.506 1.00 0.00 C ATOM 1411 O ALA A 90 10.761 -4.562 10.529 1.00 0.00 O ATOM 1412 CB ALA A 90 7.964 -3.234 11.672 1.00 0.00 C ATOM 0 H ALA A 90 6.552 -3.869 9.762 1.00 0.00 H new ATOM 0 HA ALA A 90 9.094 -2.782 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.767 -2.964 12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.300 -2.380 11.537 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.400 -4.071 12.085 1.00 0.00 H new ATOM 1418 N ALA A 91 9.028 -5.993 10.632 1.00 0.00 N ATOM 1419 CA ALA A 91 9.869 -7.171 10.806 1.00 0.00 C ATOM 1420 C ALA A 91 10.804 -7.359 9.616 1.00 0.00 C ATOM 1421 O ALA A 91 11.827 -8.036 9.717 1.00 0.00 O ATOM 1422 CB ALA A 91 9.009 -8.410 11.005 1.00 0.00 C ATOM 0 H ALA A 91 8.027 -6.188 10.617 1.00 0.00 H new ATOM 0 HA ALA A 91 10.481 -7.021 11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.651 -9.282 11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.388 -8.283 11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.372 -8.554 10.133 1.00 0.00 H new ATOM 1428 N LYS A 92 10.445 -6.756 8.487 1.00 0.00 N ATOM 1429 CA LYS A 92 11.251 -6.856 7.276 1.00 0.00 C ATOM 1430 C LYS A 92 12.335 -5.783 7.254 1.00 0.00 C ATOM 1431 O LYS A 92 13.296 -5.874 6.492 1.00 0.00 O ATOM 1432 CB LYS A 92 10.364 -6.726 6.036 1.00 0.00 C ATOM 1433 CG LYS A 92 9.234 -7.740 5.987 1.00 0.00 C ATOM 1434 CD LYS A 92 9.727 -9.101 5.525 1.00 0.00 C ATOM 1435 CE LYS A 92 8.570 -10.024 5.174 1.00 0.00 C ATOM 1436 NZ LYS A 92 8.127 -9.846 3.763 1.00 0.00 N ATOM 0 H LYS A 92 9.601 -6.193 8.386 1.00 0.00 H new ATOM 0 HA LYS A 92 11.732 -7.834 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.941 -5.722 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.981 -6.839 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.783 -7.831 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.455 -7.386 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.373 -8.979 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.331 -9.556 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.871 -11.060 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.733 -9.829 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.112 -9.618 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.664 -9.070 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.295 -10.725 3.233 1.00 0.00 H new ATOM 1450 N GLY A 93 12.173 -4.766 8.096 1.00 0.00 N ATOM 1451 CA GLY A 93 13.146 -3.691 8.157 1.00 0.00 C ATOM 1452 C GLY A 93 12.587 -2.375 7.655 1.00 0.00 C ATOM 1453 O GLY A 93 13.311 -1.570 7.067 1.00 0.00 O ATOM 0 H GLY A 93 11.385 -4.668 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.485 -3.570 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.019 -3.961 7.564 1.00 0.00 H new ATOM 1457 N ILE A 94 11.297 -2.155 7.884 1.00 0.00 N ATOM 1458 CA ILE A 94 10.643 -0.927 7.449 1.00 0.00 C ATOM 1459 C ILE A 94 10.131 -0.126 8.641 1.00 0.00 C ATOM 1460 O ILE A 94 9.373 -0.635 9.465 1.00 0.00 O ATOM 1461 CB ILE A 94 9.467 -1.222 6.499 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.946 -2.040 5.298 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.820 0.076 6.039 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.818 -2.609 4.467 1.00 0.00 C ATOM 0 H ILE A 94 10.684 -2.811 8.368 1.00 0.00 H new ATOM 0 HA ILE A 94 11.392 -0.342 6.916 1.00 0.00 H new ATOM 0 HB ILE A 94 8.721 -1.806 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.571 -1.410 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.574 -2.858 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.991 -0.149 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.448 0.624 6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.557 0.684 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.231 -3.177 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.206 -3.266 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.203 -1.795 4.083 1.00 0.00 H new ATOM 1526 N GLY A 98 4.993 5.917 13.964 1.00 0.00 N ATOM 1527 CA GLY A 98 4.328 7.138 13.546 1.00 0.00 C ATOM 1528 C GLY A 98 2.984 6.873 12.896 1.00 0.00 C ATOM 1529 O GLY A 98 2.034 7.633 13.087 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.188 7.786 14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.967 7.675 12.845 1.00 0.00 H new ATOM 1533 N LEU A 99 2.904 5.794 12.125 1.00 0.00 N ATOM 1534 CA LEU A 99 1.667 5.431 11.443 1.00 0.00 C ATOM 1535 C LEU A 99 0.599 5.001 12.444 1.00 0.00 C ATOM 1536 O LEU A 99 0.913 4.542 13.542 1.00 0.00 O ATOM 1537 CB LEU A 99 1.926 4.305 10.440 1.00 0.00 C ATOM 1538 CG LEU A 99 3.010 4.573 9.396 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.365 3.293 8.655 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.557 5.648 8.419 1.00 0.00 C ATOM 0 H LEU A 99 3.681 5.155 11.957 1.00 0.00 H new ATOM 0 HA LEU A 99 1.305 6.309 10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.198 3.407 10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.994 4.088 9.919 1.00 0.00 H new ATOM 0 HG LEU A 99 3.902 4.931 9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.138 3.503 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.733 2.552 9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.479 2.906 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.342 5.825 7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.651 5.319 7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.354 6.571 8.962 1.00 0.00 H new ATOM 1552 N SER A 100 -0.663 5.150 12.055 1.00 0.00 N ATOM 1553 CA SER A 100 -1.778 4.779 12.919 1.00 0.00 C ATOM 1554 C SER A 100 -2.829 3.993 12.141 1.00 0.00 C ATOM 1555 O SER A 100 -3.548 4.549 11.312 1.00 0.00 O ATOM 1556 CB SER A 100 -2.411 6.028 13.536 1.00 0.00 C ATOM 1557 OG SER A 100 -1.648 6.498 14.633 1.00 0.00 O ATOM 0 H SER A 100 -0.939 5.525 11.147 1.00 0.00 H new ATOM 0 HA SER A 100 -1.392 4.145 13.717 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.489 6.811 12.781 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.425 5.801 13.865 1.00 0.00 H new ATOM 0 HG SER A 100 -2.073 7.298 15.008 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.911 2.695 12.416 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.875 1.832 11.745 1.00 0.00 C ATOM 1565 C ALA A 101 -5.241 2.503 11.650 1.00 0.00 C ATOM 1566 O ALA A 101 -5.936 2.377 10.642 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.989 0.501 12.473 1.00 0.00 C ATOM 0 H ALA A 101 -2.322 2.219 13.099 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.517 1.650 10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.712 -0.133 11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.017 0.008 12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.319 0.674 13.497 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.619 3.216 12.706 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.904 3.906 12.741 1.00 0.00 C ATOM 1575 C GLU A 102 -6.995 4.943 11.626 1.00 0.00 C ATOM 1576 O GLU A 102 -7.941 4.941 10.839 1.00 0.00 O ATOM 1577 CB GLU A 102 -7.108 4.582 14.099 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.554 4.956 14.381 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.759 5.463 15.795 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -8.526 6.666 16.033 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.153 4.657 16.664 1.00 0.00 O ATOM 0 H GLU A 102 -5.055 3.331 13.548 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.689 3.165 12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.754 3.914 14.885 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.493 5.481 14.144 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.872 5.723 13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.190 4.086 14.215 1.00 0.00 H new ATOM 1588 N GLU A 103 -6.004 5.827 11.565 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.973 6.871 10.547 1.00 0.00 C ATOM 1590 C GLU A 103 -6.129 6.274 9.151 1.00 0.00 C ATOM 1591 O GLU A 103 -6.887 6.786 8.327 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.665 7.660 10.633 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.543 8.499 11.894 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.260 9.831 11.781 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -4.676 10.773 11.206 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -6.406 9.930 12.267 1.00 0.00 O ATOM 0 H GLU A 103 -5.212 5.841 12.208 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.809 7.546 10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.827 6.964 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.586 8.312 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.951 7.942 12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.489 8.675 12.108 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.406 5.189 8.895 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.464 4.522 7.600 1.00 0.00 C ATOM 1605 C ILE A 104 -6.882 4.062 7.281 1.00 0.00 C ATOM 1606 O ILE A 104 -7.381 4.272 6.175 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.518 3.308 7.549 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -3.076 3.745 7.816 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.625 2.609 6.202 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -2.057 2.661 7.547 1.00 0.00 C ATOM 0 H ILE A 104 -4.774 4.753 9.566 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.146 5.251 6.855 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.814 2.603 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.846 4.611 7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.988 4.065 8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.950 1.753 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.649 2.268 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.353 3.305 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.057 3.041 7.757 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.261 1.803 8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.117 2.357 6.502 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.528 3.434 8.259 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.890 2.944 8.083 1.00 0.00 C ATOM 1624 C ARG A 105 -9.834 4.083 7.709 1.00 0.00 C ATOM 1625 O ARG A 105 -10.765 3.899 6.927 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.378 2.262 9.362 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.873 1.989 9.374 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.308 1.326 10.672 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.711 1.593 10.979 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.182 2.798 11.279 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.366 3.843 11.311 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.471 2.961 11.547 1.00 0.00 N ATOM 0 H ARG A 105 -7.130 3.253 9.181 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.886 2.217 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.844 1.320 9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.125 2.889 10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.416 2.925 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.134 1.348 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.151 0.250 10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.683 1.685 11.490 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.365 0.811 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.374 3.722 11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.730 4.767 11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.102 2.160 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.831 3.887 11.777 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.585 5.261 8.274 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.413 6.430 8.000 1.00 0.00 C ATOM 1648 C ASN A 106 -10.155 6.962 6.594 1.00 0.00 C ATOM 1649 O ASN A 106 -10.997 7.645 6.014 1.00 0.00 O ATOM 1650 CB ASN A 106 -10.139 7.526 9.031 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.716 7.195 10.395 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.811 6.644 10.500 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.978 7.532 11.446 1.00 0.00 N ATOM 0 H ASN A 106 -8.817 5.431 8.924 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.458 6.129 8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.063 7.675 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.563 8.466 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.314 7.335 12.389 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.076 7.988 11.310 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.983 6.644 6.052 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.635 7.098 4.718 1.00 0.00 C ATOM 1662 C GLY A 107 -7.859 8.400 4.733 1.00 0.00 C ATOM 1663 O GLY A 107 -8.039 9.247 3.860 1.00 0.00 O ATOM 0 H GLY A 107 -8.269 6.080 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.042 6.331 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.545 7.228 4.133 1.00 0.00 H new ATOM 1667 N ASN A 108 -6.995 8.561 5.730 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.191 9.771 5.857 1.00 0.00 C ATOM 1669 C ASN A 108 -4.976 9.715 4.937 1.00 0.00 C ATOM 1670 O ASN A 108 -3.986 9.046 5.237 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.739 9.959 7.306 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.544 11.419 7.666 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -6.147 11.923 8.614 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.697 12.107 6.909 1.00 0.00 N ATOM 0 H ASN A 108 -6.834 7.869 6.462 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.809 10.620 5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.479 9.518 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.805 9.420 7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.525 13.093 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.219 11.649 6.133 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.057 10.423 3.815 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.963 10.455 2.850 1.00 0.00 C ATOM 1683 C LEU A 109 -2.612 10.470 3.559 1.00 0.00 C ATOM 1684 O LEU A 109 -1.759 9.618 3.309 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.091 11.682 1.946 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.538 11.531 0.528 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.584 10.915 -0.389 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.079 12.878 -0.012 1.00 0.00 C ATOM 0 H LEU A 109 -5.868 10.982 3.551 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.022 9.554 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.145 11.949 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.581 12.517 2.426 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.677 10.864 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.173 10.815 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.864 9.931 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.465 11.557 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.689 12.751 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.922 13.568 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.297 13.281 0.632 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.425 11.442 4.445 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.180 11.567 5.193 1.00 0.00 C ATOM 1702 C LYS A 110 -0.733 10.213 5.736 1.00 0.00 C ATOM 1703 O LYS A 110 0.453 9.885 5.711 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.351 12.559 6.345 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.024 13.993 5.967 1.00 0.00 C ATOM 1706 CD LYS A 110 0.458 14.171 5.681 1.00 0.00 C ATOM 1707 CE LYS A 110 0.869 15.633 5.758 1.00 0.00 C ATOM 1708 NZ LYS A 110 1.205 16.042 7.150 1.00 0.00 N ATOM 0 H LYS A 110 -3.121 12.155 4.663 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.413 11.937 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.379 12.512 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.710 12.255 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.602 14.279 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.322 14.660 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.040 13.590 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.688 13.779 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.730 15.803 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.060 16.258 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.480 17.045 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.376 15.904 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.994 15.463 7.501 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.691 9.431 6.224 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.395 8.112 6.768 1.00 0.00 C ATOM 1724 C ALA A 111 -1.000 7.138 5.664 1.00 0.00 C ATOM 1725 O ALA A 111 0.127 6.643 5.634 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.594 7.580 7.540 1.00 0.00 C ATOM 0 H ALA A 111 -2.678 9.688 6.253 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.550 8.208 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.360 6.594 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.829 8.259 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.453 7.506 6.873 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.934 6.866 4.759 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.682 5.951 3.653 1.00 0.00 C ATOM 1734 C ILE A 112 -0.347 6.256 2.980 1.00 0.00 C ATOM 1735 O ILE A 112 0.556 5.418 2.960 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.802 6.019 2.599 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.156 5.714 3.242 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.519 5.050 1.461 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.860 6.940 3.779 1.00 0.00 C ATOM 0 H ILE A 112 -2.872 7.266 4.770 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.653 4.947 4.076 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.835 7.029 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.798 5.230 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.011 5.003 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.320 5.110 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.572 5.310 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.462 4.035 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.813 6.648 4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.238 7.413 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.037 7.643 2.965 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.229 7.460 2.433 1.00 0.00 N ATOM 1752 CA LEU A 113 0.997 7.878 1.761 1.00 0.00 C ATOM 1753 C LEU A 113 2.225 7.496 2.581 1.00 0.00 C ATOM 1754 O LEU A 113 3.203 6.974 2.047 1.00 0.00 O ATOM 1755 CB LEU A 113 0.980 9.388 1.519 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.122 9.908 0.596 1.00 0.00 C ATOM 1757 CD1 LEU A 113 -0.005 11.414 0.420 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.063 9.206 -0.753 1.00 0.00 C ATOM 0 H LEU A 113 -0.967 8.164 2.441 1.00 0.00 H new ATOM 0 HA LEU A 113 1.050 7.363 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.886 9.889 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.944 9.680 1.101 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.086 9.690 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.798 11.766 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.097 11.902 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.964 11.655 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.855 9.589 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.905 9.392 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.197 8.134 -0.611 1.00 0.00 H new ATOM 1770 N GLY A 114 2.166 7.758 3.883 1.00 0.00 N ATOM 1771 CA GLY A 114 3.278 7.433 4.757 1.00 0.00 C ATOM 1772 C GLY A 114 3.627 5.959 4.728 1.00 0.00 C ATOM 1773 O GLY A 114 4.792 5.585 4.871 1.00 0.00 O ATOM 0 H GLY A 114 1.368 8.190 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.151 8.016 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.031 7.725 5.778 1.00 0.00 H new ATOM 1777 N LEU A 115 2.616 5.117 4.543 1.00 0.00 N ATOM 1778 CA LEU A 115 2.821 3.673 4.497 1.00 0.00 C ATOM 1779 C LEU A 115 3.489 3.259 3.189 1.00 0.00 C ATOM 1780 O LEU A 115 4.566 2.664 3.192 1.00 0.00 O ATOM 1781 CB LEU A 115 1.486 2.943 4.655 1.00 0.00 C ATOM 1782 CG LEU A 115 1.380 1.582 3.967 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.412 0.679 4.716 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.944 1.749 2.518 1.00 0.00 C ATOM 0 H LEU A 115 1.646 5.409 4.422 1.00 0.00 H new ATOM 0 HA LEU A 115 3.478 3.398 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.293 2.806 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.695 3.586 4.268 1.00 0.00 H new ATOM 0 HG LEU A 115 2.364 1.113 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.350 -0.285 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.766 0.533 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.575 1.142 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.874 0.770 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.029 2.239 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.675 2.358 1.986 1.00 0.00 H new ATOM 1796 N PHE A 116 2.842 3.581 2.074 1.00 0.00 N ATOM 1797 CA PHE A 116 3.374 3.243 0.758 1.00 0.00 C ATOM 1798 C PHE A 116 4.695 3.963 0.505 1.00 0.00 C ATOM 1799 O PHE A 116 5.485 3.553 -0.346 1.00 0.00 O ATOM 1800 CB PHE A 116 2.364 3.608 -0.332 1.00 0.00 C ATOM 1801 CG PHE A 116 1.400 2.501 -0.651 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.773 1.459 -1.484 1.00 0.00 C ATOM 1803 CD2 PHE A 116 0.121 2.504 -0.118 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.888 0.438 -1.779 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.767 1.486 -0.409 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.384 0.453 -1.242 1.00 0.00 C ATOM 0 H PHE A 116 1.950 4.075 2.055 1.00 0.00 H new ATOM 0 HA PHE A 116 3.555 2.168 0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.803 4.488 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.903 3.882 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.766 1.444 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.185 3.311 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.191 -0.370 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.760 1.498 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.078 -0.342 -1.473 1.00 0.00 H new ATOM 1816 N PHE A 117 4.928 5.039 1.249 1.00 0.00 N ATOM 1817 CA PHE A 117 6.153 5.818 1.104 1.00 0.00 C ATOM 1818 C PHE A 117 7.356 5.043 1.634 1.00 0.00 C ATOM 1819 O PHE A 117 8.467 5.172 1.120 1.00 0.00 O ATOM 1820 CB PHE A 117 6.025 7.151 1.844 1.00 0.00 C ATOM 1821 CG PHE A 117 7.293 7.955 1.855 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.336 7.618 2.703 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.443 9.048 1.016 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.504 8.356 2.715 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.610 9.789 1.023 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.641 9.443 1.875 1.00 0.00 C ATOM 0 H PHE A 117 4.285 5.392 1.958 1.00 0.00 H new ATOM 0 HA PHE A 117 6.307 6.013 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.235 7.741 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.717 6.959 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.235 6.769 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.639 9.324 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.309 8.083 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.716 10.637 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.553 10.022 1.884 1.00 0.00 H new ATOM 1836 N SER A 118 7.126 4.238 2.667 1.00 0.00 N ATOM 1837 CA SER A 118 8.190 3.445 3.270 1.00 0.00 C ATOM 1838 C SER A 118 8.238 2.047 2.662 1.00 0.00 C ATOM 1839 O SER A 118 9.311 1.526 2.356 1.00 0.00 O ATOM 1840 CB SER A 118 7.988 3.349 4.784 1.00 0.00 C ATOM 1841 OG SER A 118 8.457 4.516 5.436 1.00 0.00 O ATOM 0 H SER A 118 6.212 4.118 3.103 1.00 0.00 H new ATOM 0 HA SER A 118 9.139 3.942 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 118 6.930 3.206 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.515 2.476 5.170 1.00 0.00 H new ATOM 0 HG SER A 118 8.315 4.431 6.402 1.00 0.00 H new ATOM 1847 N LEU A 119 7.067 1.444 2.489 1.00 0.00 N ATOM 1848 CA LEU A 119 6.973 0.105 1.917 1.00 0.00 C ATOM 1849 C LEU A 119 7.794 0.001 0.636 1.00 0.00 C ATOM 1850 O LEU A 119 8.693 -0.833 0.529 1.00 0.00 O ATOM 1851 CB LEU A 119 5.512 -0.247 1.630 1.00 0.00 C ATOM 1852 CG LEU A 119 5.277 -1.325 0.571 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.802 -2.669 1.052 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.797 -1.420 0.227 1.00 0.00 C ATOM 0 H LEU A 119 6.170 1.861 2.736 1.00 0.00 H new ATOM 0 HA LEU A 119 7.375 -0.602 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.048 -0.573 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.995 0.660 1.317 1.00 0.00 H new ATOM 0 HG LEU A 119 5.822 -1.047 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.626 -3.424 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.872 -2.593 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.285 -2.955 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.648 -2.192 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.231 -1.675 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.451 -0.462 -0.161 1.00 0.00 H new ATOM 1866 N SER A 120 7.480 0.855 -0.333 1.00 0.00 N ATOM 1867 CA SER A 120 8.188 0.859 -1.608 1.00 0.00 C ATOM 1868 C SER A 120 9.691 0.699 -1.395 1.00 0.00 C ATOM 1869 O SER A 120 10.345 -0.086 -2.081 1.00 0.00 O ATOM 1870 CB SER A 120 7.904 2.155 -2.369 1.00 0.00 C ATOM 1871 OG SER A 120 7.992 1.953 -3.769 1.00 0.00 O ATOM 0 H SER A 120 6.740 1.553 -0.259 1.00 0.00 H new ATOM 0 HA SER A 120 7.830 0.015 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.910 2.521 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.615 2.923 -2.064 1.00 0.00 H new ATOM 0 HG SER A 120 8.807 1.450 -3.976 1.00 0.00 H new ATOM 1877 N ARG A 121 10.230 1.450 -0.441 1.00 0.00 N ATOM 1878 CA ARG A 121 11.655 1.394 -0.138 1.00 0.00 C ATOM 1879 C ARG A 121 12.128 -0.052 -0.014 1.00 0.00 C ATOM 1880 O ARG A 121 13.112 -0.449 -0.639 1.00 0.00 O ATOM 1881 CB ARG A 121 11.953 2.151 1.158 1.00 0.00 C ATOM 1882 CG ARG A 121 11.425 3.576 1.165 1.00 0.00 C ATOM 1883 CD ARG A 121 11.904 4.342 2.388 1.00 0.00 C ATOM 1884 NE ARG A 121 13.280 4.808 2.238 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.651 5.729 1.355 1.00 0.00 C ATOM 1886 NH1 ARG A 121 12.753 6.279 0.549 1.00 0.00 N ATOM 1887 NH2 ARG A 121 14.922 6.102 1.278 1.00 0.00 N ATOM 0 H ARG A 121 9.702 2.105 0.136 1.00 0.00 H new ATOM 0 HA ARG A 121 12.194 1.866 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.517 1.607 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 121 13.031 2.171 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.752 4.091 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.335 3.561 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.249 5.196 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.832 3.702 3.268 1.00 0.00 H new ATOM 0 HE ARG A 121 13.995 4.405 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.775 5.995 0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 121 13.040 6.986 -0.128 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.615 5.682 1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.206 6.809 0.600 1.00 0.00 H new ATOM 1901 N TYR A 122 11.421 -0.833 0.795 1.00 0.00 N ATOM 1902 CA TYR A 122 11.770 -2.233 1.002 1.00 0.00 C ATOM 1903 C TYR A 122 12.026 -2.934 -0.328 1.00 0.00 C ATOM 1904 O TYR A 122 13.056 -3.581 -0.515 1.00 0.00 O ATOM 1905 CB TYR A 122 10.654 -2.951 1.763 1.00 0.00 C ATOM 1906 CG TYR A 122 10.687 -4.455 1.611 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.185 -5.069 0.469 1.00 0.00 C ATOM 1908 CD2 TYR A 122 11.220 -5.263 2.608 1.00 0.00 C ATOM 1909 CE1 TYR A 122 10.213 -6.443 0.326 1.00 0.00 C ATOM 1910 CE2 TYR A 122 11.254 -6.637 2.472 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.749 -7.222 1.329 1.00 0.00 C ATOM 1912 OH TYR A 122 10.779 -8.591 1.191 1.00 0.00 O ATOM 0 H TYR A 122 10.603 -0.520 1.318 1.00 0.00 H new ATOM 0 HA TYR A 122 12.686 -2.269 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.727 -2.700 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.691 -2.580 1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.766 -4.462 -0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.615 -4.809 3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.817 -6.904 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.674 -7.250 3.256 1.00 0.00 H new ATOM 0 HH TYR A 122 11.190 -8.991 1.986 1.00 0.00 H new ATOM 1922 N LYS A 123 11.080 -2.800 -1.252 1.00 0.00 N ATOM 1923 CA LYS A 123 11.201 -3.418 -2.567 1.00 0.00 C ATOM 1924 C LYS A 123 12.378 -2.829 -3.338 1.00 0.00 C ATOM 1925 O LYS A 123 13.197 -3.562 -3.891 1.00 0.00 O ATOM 1926 CB LYS A 123 9.908 -3.226 -3.364 1.00 0.00 C ATOM 1927 CG LYS A 123 10.044 -3.574 -4.836 1.00 0.00 C ATOM 1928 CD LYS A 123 9.990 -5.076 -5.061 1.00 0.00 C ATOM 1929 CE LYS A 123 9.468 -5.413 -6.450 1.00 0.00 C ATOM 1930 NZ LYS A 123 9.817 -6.804 -6.851 1.00 0.00 N ATOM 0 H LYS A 123 10.221 -2.268 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 123 11.379 -4.484 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.125 -3.843 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.585 -2.189 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.246 -3.092 -5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 123 10.986 -3.182 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 123 10.986 -5.500 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.348 -5.535 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.385 -5.290 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.883 -4.711 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.444 -6.995 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 10.851 -6.915 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.400 -7.475 -6.175 1.00 0.00 H new ATOM 1944 N GLN A 124 12.455 -1.502 -3.369 1.00 0.00 N ATOM 1945 CA GLN A 124 13.533 -0.817 -4.072 1.00 0.00 C ATOM 1946 C GLN A 124 14.888 -1.169 -3.467 1.00 0.00 C ATOM 1947 O GLN A 124 14.981 -1.514 -2.290 1.00 0.00 O ATOM 1948 CB GLN A 124 13.319 0.697 -4.025 1.00 0.00 C ATOM 1949 CG GLN A 124 12.486 1.230 -5.180 1.00 0.00 C ATOM 1950 CD GLN A 124 11.232 0.412 -5.421 1.00 0.00 C ATOM 1951 OE1 GLN A 124 10.257 0.516 -4.676 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.250 -0.407 -6.466 1.00 0.00 N ATOM 0 H GLN A 124 11.785 -0.881 -2.916 1.00 0.00 H new ATOM 0 HA GLN A 124 13.523 -1.147 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.831 0.958 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.290 1.193 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.207 2.264 -4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 124 13.091 1.237 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.080 -0.462 -7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.434 -0.982 -6.678 1.00 0.00 H new