USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=18 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 69 ASN : amide:sc= -3.13 K(o=-3.5,f=-0.51) USER MOD Set 1.2: A 81 ASN : amide:sc= -0.344 K(o=-3.5,f=-7.2!) USER MOD Set 2.1: A 36 HIS : no HE2:sc= -2.43! C(o=-7.7!,f=-12!) USER MOD Set 2.2: A 55 GLN : amide:sc= -5.24! K(o=-7.7!,f=-4.6) USER MOD Single : A 19 GLN : amide:sc= -0.479 K(o=-0.48,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ -126:sc= -0.461 (180deg=-1.99!) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.872 USER MOD Single : A 24 THR OG1 : rot 69:sc= 0.298 USER MOD Single : A 28 ASN : amide:sc= -2.87 K(o=-2.9,f=-6.3!) USER MOD Single : A 29 HIS : no HD1:sc=-0.00715 X(o=-0.0071,f=-0.14) USER MOD Single : A 30 TYR OH : rot 175:sc= -0.111 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -55:sc= 0.00296 USER MOD Single : A 37 LYS NZ :NH3+ 126:sc= -0.0858 (180deg=-0.609) USER MOD Single : A 44 GLN : amide:sc= -6.42! C(o=-6.4!,f=-5.6!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.268 USER MOD Single : A 58 GLN : amide:sc= -0.629 K(o=-0.63,f=-12!) USER MOD Single : A 62 ASN : amide:sc=-0.00843 X(o=-0.0084,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0935 K(o=-0.093,f=-2.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 78 MET CE :methyl 175:sc= 0 (180deg=-0.0239) USER MOD Single : A 85 CYS SG : rot 68:sc= 0.177 USER MOD Single : A 87 ASN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -108:sc= 0.547 (180deg=-0.719) USER MOD Single : A 100 SER OG : rot 14:sc= 0.341 USER MOD Single : A 106 ASN : amide:sc= 0.104 K(o=0.1,f=-2.3!) USER MOD Single : A 108 ASN : amide:sc= -0.0999 K(o=-0.1,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ 172:sc= -0.168 (180deg=-0.213) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -1.07 USER MOD Single : A 122 TYR OH : rot 15:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 1.948 16.911 -5.524 1.00 0.00 N ATOM 202 CA GLY A 15 1.377 17.186 -4.218 1.00 0.00 C ATOM 203 C GLY A 15 0.791 15.947 -3.570 1.00 0.00 C ATOM 204 O GLY A 15 0.595 14.926 -4.229 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.147 17.603 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.599 17.943 -4.317 1.00 0.00 H new ATOM 208 N LEU A 16 0.511 16.036 -2.274 1.00 0.00 N ATOM 209 CA LEU A 16 -0.055 14.913 -1.535 1.00 0.00 C ATOM 210 C LEU A 16 -1.017 14.115 -2.409 1.00 0.00 C ATOM 211 O LEU A 16 -0.823 12.921 -2.632 1.00 0.00 O ATOM 212 CB LEU A 16 -0.780 15.414 -0.284 1.00 0.00 C ATOM 213 CG LEU A 16 0.049 16.268 0.675 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.837 16.875 1.751 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.161 15.439 1.302 1.00 0.00 C ATOM 0 H LEU A 16 0.667 16.874 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 16 0.763 14.258 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.647 15.995 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.157 14.550 0.264 1.00 0.00 H new ATOM 0 HG LEU A 16 0.504 17.080 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.229 17.480 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.597 17.503 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.321 16.078 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.741 16.063 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.726 14.606 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.813 15.053 0.518 1.00 0.00 H new ATOM 227 N GLU A 17 -2.054 14.786 -2.904 1.00 0.00 N ATOM 228 CA GLU A 17 -3.045 14.138 -3.755 1.00 0.00 C ATOM 229 C GLU A 17 -2.375 13.429 -4.928 1.00 0.00 C ATOM 230 O GLU A 17 -2.693 12.280 -5.236 1.00 0.00 O ATOM 231 CB GLU A 17 -4.052 15.166 -4.275 1.00 0.00 C ATOM 232 CG GLU A 17 -5.212 15.417 -3.325 1.00 0.00 C ATOM 233 CD GLU A 17 -6.213 14.278 -3.314 1.00 0.00 C ATOM 234 OE1 GLU A 17 -5.779 13.107 -3.304 1.00 0.00 O ATOM 235 OE2 GLU A 17 -7.430 14.557 -3.316 1.00 0.00 O ATOM 0 H GLU A 17 -2.229 15.776 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.571 13.395 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.535 16.107 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.445 14.825 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.826 15.566 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.719 16.339 -3.612 1.00 0.00 H new ATOM 242 N ASP A 18 -1.446 14.121 -5.578 1.00 0.00 N ATOM 243 CA ASP A 18 -0.730 13.558 -6.717 1.00 0.00 C ATOM 244 C ASP A 18 0.024 12.295 -6.314 1.00 0.00 C ATOM 245 O ASP A 18 0.037 11.308 -7.050 1.00 0.00 O ATOM 246 CB ASP A 18 0.245 14.587 -7.292 1.00 0.00 C ATOM 247 CG ASP A 18 -0.408 15.493 -8.318 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.905 14.972 -9.338 1.00 0.00 O ATOM 249 OD2 ASP A 18 -0.422 16.723 -8.100 1.00 0.00 O ATOM 0 H ASP A 18 -1.171 15.073 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.461 13.295 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.649 15.193 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.086 14.069 -7.752 1.00 0.00 H new ATOM 254 N GLN A 19 0.650 12.333 -5.143 1.00 0.00 N ATOM 255 CA GLN A 19 1.407 11.192 -4.644 1.00 0.00 C ATOM 256 C GLN A 19 0.557 9.925 -4.660 1.00 0.00 C ATOM 257 O GLN A 19 0.967 8.896 -5.197 1.00 0.00 O ATOM 258 CB GLN A 19 1.908 11.466 -3.225 1.00 0.00 C ATOM 259 CG GLN A 19 2.831 12.670 -3.127 1.00 0.00 C ATOM 260 CD GLN A 19 3.402 12.856 -1.735 1.00 0.00 C ATOM 261 OE1 GLN A 19 2.669 12.857 -0.746 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.718 13.015 -1.651 1.00 0.00 N ATOM 0 H GLN A 19 0.648 13.142 -4.522 1.00 0.00 H new ATOM 0 HA GLN A 19 2.263 11.041 -5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.051 11.622 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.434 10.585 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.649 12.555 -3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.283 13.567 -3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.288 13.007 -2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.159 13.145 -0.740 1.00 0.00 H new ATOM 271 N LYS A 20 -0.630 10.008 -4.068 1.00 0.00 N ATOM 272 CA LYS A 20 -1.539 8.870 -4.015 1.00 0.00 C ATOM 273 C LYS A 20 -1.500 8.080 -5.319 1.00 0.00 C ATOM 274 O LYS A 20 -1.251 6.874 -5.318 1.00 0.00 O ATOM 275 CB LYS A 20 -2.967 9.345 -3.737 1.00 0.00 C ATOM 276 CG LYS A 20 -4.016 8.261 -3.922 1.00 0.00 C ATOM 277 CD LYS A 20 -5.389 8.854 -4.191 1.00 0.00 C ATOM 278 CE LYS A 20 -6.446 7.770 -4.334 1.00 0.00 C ATOM 279 NZ LYS A 20 -7.658 8.267 -5.041 1.00 0.00 N ATOM 0 H LYS A 20 -0.985 10.852 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.215 8.216 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.023 9.723 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.199 10.180 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.729 7.614 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.057 7.637 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.662 9.525 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.356 9.453 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.028 6.925 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.726 7.404 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.500 8.080 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.570 9.290 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.752 7.778 -5.954 1.00 0.00 H new ATOM 293 N ARG A 21 -1.745 8.768 -6.430 1.00 0.00 N ATOM 294 CA ARG A 21 -1.737 8.130 -7.741 1.00 0.00 C ATOM 295 C ARG A 21 -0.424 7.389 -7.977 1.00 0.00 C ATOM 296 O ARG A 21 -0.420 6.209 -8.328 1.00 0.00 O ATOM 297 CB ARG A 21 -1.951 9.172 -8.840 1.00 0.00 C ATOM 298 CG ARG A 21 -2.471 8.585 -10.142 1.00 0.00 C ATOM 299 CD ARG A 21 -3.991 8.579 -10.183 1.00 0.00 C ATOM 300 NE ARG A 21 -4.552 9.895 -9.889 1.00 0.00 N ATOM 301 CZ ARG A 21 -5.852 10.123 -9.743 1.00 0.00 C ATOM 302 NH1 ARG A 21 -6.721 9.129 -9.862 1.00 0.00 N ATOM 303 NH2 ARG A 21 -6.286 11.349 -9.476 1.00 0.00 N ATOM 0 H ARG A 21 -1.951 9.767 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.553 7.408 -7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.655 9.924 -8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.008 9.683 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.086 9.163 -10.982 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.099 7.567 -10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.326 8.254 -11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.370 7.854 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.910 10.682 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.392 8.185 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.719 9.308 -9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.621 12.117 -9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.285 11.523 -9.364 1.00 0.00 H new ATOM 317 N ILE A 22 0.688 8.089 -7.782 1.00 0.00 N ATOM 318 CA ILE A 22 2.007 7.498 -7.973 1.00 0.00 C ATOM 319 C ILE A 22 2.087 6.117 -7.332 1.00 0.00 C ATOM 320 O ILE A 22 2.607 5.173 -7.929 1.00 0.00 O ATOM 321 CB ILE A 22 3.115 8.391 -7.384 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.124 9.754 -8.078 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.470 7.712 -7.520 1.00 0.00 C ATOM 324 CD1 ILE A 22 3.961 10.791 -7.362 1.00 0.00 C ATOM 0 H ILE A 22 0.702 9.067 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 22 2.160 7.407 -9.048 1.00 0.00 H new ATOM 0 HB ILE A 22 2.912 8.545 -6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.501 9.633 -9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.100 10.118 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.243 8.355 -7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.457 6.763 -6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.682 7.531 -8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.921 11.732 -7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.572 10.941 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.994 10.448 -7.304 1.00 0.00 H new ATOM 336 N TYR A 23 1.569 6.005 -6.114 1.00 0.00 N ATOM 337 CA TYR A 23 1.583 4.739 -5.391 1.00 0.00 C ATOM 338 C TYR A 23 0.593 3.751 -6.002 1.00 0.00 C ATOM 339 O TYR A 23 0.940 2.607 -6.296 1.00 0.00 O ATOM 340 CB TYR A 23 1.249 4.966 -3.916 1.00 0.00 C ATOM 341 CG TYR A 23 2.250 5.841 -3.196 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.611 5.565 -3.253 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.836 6.943 -2.459 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.529 6.361 -2.596 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.747 7.746 -1.801 1.00 0.00 C ATOM 346 CZ TYR A 23 4.093 7.451 -1.872 1.00 0.00 C ATOM 347 OH TYR A 23 5.004 8.247 -1.217 1.00 0.00 O ATOM 0 H TYR A 23 1.134 6.776 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 23 2.585 4.317 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.261 5.421 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.194 4.001 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.957 4.714 -3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.783 7.176 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.583 6.131 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.408 8.600 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 23 4.576 9.090 -0.960 1.00 0.00 H new ATOM 357 N THR A 24 -0.643 4.203 -6.191 1.00 0.00 N ATOM 358 CA THR A 24 -1.684 3.362 -6.766 1.00 0.00 C ATOM 359 C THR A 24 -1.140 2.520 -7.914 1.00 0.00 C ATOM 360 O THR A 24 -1.306 1.300 -7.935 1.00 0.00 O ATOM 361 CB THR A 24 -2.868 4.204 -7.279 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.454 4.935 -6.196 1.00 0.00 O ATOM 363 CG2 THR A 24 -3.920 3.319 -7.929 1.00 0.00 C ATOM 0 H THR A 24 -0.947 5.147 -5.954 1.00 0.00 H new ATOM 0 HA THR A 24 -2.033 2.704 -5.970 1.00 0.00 H new ATOM 0 HB THR A 24 -2.492 4.902 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.830 5.627 -5.893 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.746 3.936 -8.283 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.478 2.786 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.292 2.600 -7.199 1.00 0.00 H new ATOM 371 N ASP A 25 -0.489 3.178 -8.867 1.00 0.00 N ATOM 372 CA ASP A 25 0.082 2.489 -10.019 1.00 0.00 C ATOM 373 C ASP A 25 1.143 1.484 -9.580 1.00 0.00 C ATOM 374 O ASP A 25 1.231 0.383 -10.122 1.00 0.00 O ATOM 375 CB ASP A 25 0.690 3.498 -10.994 1.00 0.00 C ATOM 376 CG ASP A 25 0.998 2.884 -12.345 1.00 0.00 C ATOM 377 OD1 ASP A 25 1.722 1.867 -12.385 1.00 0.00 O ATOM 378 OD2 ASP A 25 0.514 3.420 -13.364 1.00 0.00 O ATOM 0 H ASP A 25 -0.343 4.188 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.720 1.948 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.001 4.332 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.606 3.906 -10.566 1.00 0.00 H new ATOM 383 N TRP A 26 1.947 1.873 -8.596 1.00 0.00 N ATOM 384 CA TRP A 26 3.003 1.006 -8.085 1.00 0.00 C ATOM 385 C TRP A 26 2.423 -0.290 -7.531 1.00 0.00 C ATOM 386 O TRP A 26 2.906 -1.379 -7.838 1.00 0.00 O ATOM 387 CB TRP A 26 3.802 1.728 -6.999 1.00 0.00 C ATOM 388 CG TRP A 26 4.869 0.876 -6.381 1.00 0.00 C ATOM 389 CD1 TRP A 26 6.080 0.556 -6.926 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.820 0.233 -5.103 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.787 -0.247 -6.063 1.00 0.00 N ATOM 392 CE2 TRP A 26 6.036 -0.459 -4.937 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.869 0.176 -4.081 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.322 -1.197 -3.792 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.154 -0.557 -2.945 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.372 -1.236 -2.808 1.00 0.00 C ATOM 0 H TRP A 26 1.888 2.782 -8.137 1.00 0.00 H new ATOM 0 HA TRP A 26 3.669 0.759 -8.912 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.261 2.619 -7.428 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.119 2.065 -6.219 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.430 0.886 -7.893 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.719 -0.624 -6.233 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.927 0.696 -4.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.261 -1.720 -3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.426 -0.607 -2.149 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.565 -1.801 -1.908 1.00 0.00 H new ATOM 407 N ALA A 27 1.383 -0.166 -6.712 1.00 0.00 N ATOM 408 CA ALA A 27 0.736 -1.328 -6.116 1.00 0.00 C ATOM 409 C ALA A 27 -0.040 -2.121 -7.163 1.00 0.00 C ATOM 410 O ALA A 27 -0.017 -3.351 -7.167 1.00 0.00 O ATOM 411 CB ALA A 27 -0.187 -0.898 -4.986 1.00 0.00 C ATOM 0 H ALA A 27 0.971 0.728 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 27 1.512 -1.976 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.663 -1.777 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.392 -0.382 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.952 -0.227 -5.376 1.00 0.00 H new ATOM 417 N ASN A 28 -0.726 -1.407 -8.050 1.00 0.00 N ATOM 418 CA ASN A 28 -1.511 -2.045 -9.101 1.00 0.00 C ATOM 419 C ASN A 28 -0.696 -3.121 -9.811 1.00 0.00 C ATOM 420 O ASN A 28 -1.132 -4.267 -9.932 1.00 0.00 O ATOM 421 CB ASN A 28 -1.989 -1.001 -10.113 1.00 0.00 C ATOM 422 CG ASN A 28 -3.340 -0.418 -9.746 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.279 -0.449 -10.542 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.444 0.118 -8.536 1.00 0.00 N ATOM 0 H ASN A 28 -0.754 -0.387 -8.062 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.378 -2.517 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.255 -0.198 -10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.049 -1.457 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.328 0.526 -8.233 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.639 0.122 -7.909 1.00 0.00 H new ATOM 431 N HIS A 29 0.491 -2.746 -10.278 1.00 0.00 N ATOM 432 CA HIS A 29 1.368 -3.680 -10.975 1.00 0.00 C ATOM 433 C HIS A 29 1.400 -5.030 -10.264 1.00 0.00 C ATOM 434 O HIS A 29 1.175 -6.072 -10.879 1.00 0.00 O ATOM 435 CB HIS A 29 2.783 -3.108 -11.071 1.00 0.00 C ATOM 436 CG HIS A 29 3.834 -4.147 -11.316 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.780 -5.039 -12.366 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.971 -4.432 -10.639 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.838 -5.829 -12.324 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.577 -5.481 -11.286 1.00 0.00 N ATOM 0 H HIS A 29 0.867 -1.802 -10.186 1.00 0.00 H new ATOM 0 HA HIS A 29 0.974 -3.828 -11.981 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.815 -2.374 -11.876 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.016 -2.579 -10.147 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.334 -3.929 -9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.061 -6.624 -13.020 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.455 -5.920 -11.010 1.00 0.00 H new ATOM 449 N TYR A 30 1.681 -5.002 -8.966 1.00 0.00 N ATOM 450 CA TYR A 30 1.745 -6.224 -8.172 1.00 0.00 C ATOM 451 C TYR A 30 0.404 -6.951 -8.181 1.00 0.00 C ATOM 452 O TYR A 30 0.348 -8.177 -8.082 1.00 0.00 O ATOM 453 CB TYR A 30 2.153 -5.901 -6.733 1.00 0.00 C ATOM 454 CG TYR A 30 3.539 -5.307 -6.616 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.670 -6.104 -6.735 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.716 -3.948 -6.384 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.938 -5.566 -6.628 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.980 -3.401 -6.276 1.00 0.00 C ATOM 459 CZ TYR A 30 6.088 -4.214 -6.399 1.00 0.00 C ATOM 460 OH TYR A 30 7.348 -3.673 -6.291 1.00 0.00 O ATOM 0 H TYR A 30 1.868 -4.147 -8.441 1.00 0.00 H new ATOM 0 HA TYR A 30 2.495 -6.878 -8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.431 -5.204 -6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.106 -6.813 -6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.556 -7.163 -6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.851 -3.309 -6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.807 -6.200 -6.723 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.100 -2.343 -6.096 1.00 0.00 H new ATOM 0 HH TYR A 30 7.280 -2.699 -6.206 1.00 0.00 H new ATOM 470 N LEU A 31 -0.675 -6.186 -8.301 1.00 0.00 N ATOM 471 CA LEU A 31 -2.018 -6.755 -8.324 1.00 0.00 C ATOM 472 C LEU A 31 -2.304 -7.421 -9.666 1.00 0.00 C ATOM 473 O LEU A 31 -2.896 -8.498 -9.722 1.00 0.00 O ATOM 474 CB LEU A 31 -3.059 -5.668 -8.049 1.00 0.00 C ATOM 475 CG LEU A 31 -3.432 -5.453 -6.581 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.550 -4.429 -6.460 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.839 -6.769 -5.936 1.00 0.00 C ATOM 0 H LEU A 31 -0.646 -5.170 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.078 -7.513 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.686 -4.726 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.966 -5.913 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.557 -5.070 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.803 -4.289 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.222 -3.480 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.428 -4.783 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.101 -6.597 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.699 -7.182 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.009 -7.473 -5.990 1.00 0.00 H new ATOM 489 N ALA A 32 -1.878 -6.772 -10.745 1.00 0.00 N ATOM 490 CA ALA A 32 -2.084 -7.303 -12.087 1.00 0.00 C ATOM 491 C ALA A 32 -1.207 -8.526 -12.334 1.00 0.00 C ATOM 492 O ALA A 32 -1.668 -9.538 -12.861 1.00 0.00 O ATOM 493 CB ALA A 32 -1.804 -6.230 -13.128 1.00 0.00 C ATOM 0 H ALA A 32 -1.388 -5.878 -10.716 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.126 -7.613 -12.173 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.962 -6.641 -14.125 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.477 -5.387 -12.972 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.772 -5.892 -13.034 1.00 0.00 H new ATOM 499 N LYS A 33 0.062 -8.424 -11.952 1.00 0.00 N ATOM 500 CA LYS A 33 1.005 -9.522 -12.132 1.00 0.00 C ATOM 501 C LYS A 33 0.541 -10.767 -11.383 1.00 0.00 C ATOM 502 O LYS A 33 0.748 -11.891 -11.840 1.00 0.00 O ATOM 503 CB LYS A 33 2.397 -9.110 -11.645 1.00 0.00 C ATOM 504 CG LYS A 33 2.553 -9.163 -10.135 1.00 0.00 C ATOM 505 CD LYS A 33 3.931 -8.695 -9.700 1.00 0.00 C ATOM 506 CE LYS A 33 4.995 -9.740 -10.002 1.00 0.00 C ATOM 507 NZ LYS A 33 5.183 -10.684 -8.866 1.00 0.00 N ATOM 0 H LYS A 33 0.461 -7.593 -11.516 1.00 0.00 H new ATOM 0 HA LYS A 33 1.053 -9.756 -13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.141 -9.763 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.608 -8.097 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.791 -8.539 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.387 -10.183 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.178 -7.764 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.923 -8.480 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.713 -10.298 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.940 -9.243 -10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.916 -11.380 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.477 -10.155 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.288 -11.177 -8.673 1.00 0.00 H new ATOM 521 N SER A 34 -0.089 -10.559 -10.231 1.00 0.00 N ATOM 522 CA SER A 34 -0.581 -11.665 -9.418 1.00 0.00 C ATOM 523 C SER A 34 -2.001 -12.048 -9.825 1.00 0.00 C ATOM 524 O SER A 34 -2.796 -12.492 -8.998 1.00 0.00 O ATOM 525 CB SER A 34 -0.546 -11.291 -7.935 1.00 0.00 C ATOM 526 OG SER A 34 -0.462 -12.446 -7.120 1.00 0.00 O ATOM 0 H SER A 34 -0.271 -9.635 -9.840 1.00 0.00 H new ATOM 0 HA SER A 34 0.070 -12.523 -9.584 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.308 -10.642 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.442 -10.725 -7.678 1.00 0.00 H new ATOM 0 HG SER A 34 -1.203 -13.051 -7.333 1.00 0.00 H new ATOM 532 N GLY A 35 -2.310 -11.874 -11.106 1.00 0.00 N ATOM 533 CA GLY A 35 -3.634 -12.205 -11.601 1.00 0.00 C ATOM 534 C GLY A 35 -4.737 -11.656 -10.719 1.00 0.00 C ATOM 535 O GLY A 35 -5.424 -12.411 -10.029 1.00 0.00 O ATOM 0 H GLY A 35 -1.668 -11.510 -11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.750 -11.811 -12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.733 -13.288 -11.669 1.00 0.00 H new ATOM 539 N HIS A 36 -4.908 -10.338 -10.738 1.00 0.00 N ATOM 540 CA HIS A 36 -5.936 -9.688 -9.933 1.00 0.00 C ATOM 541 C HIS A 36 -6.752 -8.714 -10.777 1.00 0.00 C ATOM 542 O HIS A 36 -6.358 -7.565 -10.973 1.00 0.00 O ATOM 543 CB HIS A 36 -5.299 -8.951 -8.754 1.00 0.00 C ATOM 544 CG HIS A 36 -6.191 -8.857 -7.555 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.815 -7.688 -7.170 1.00 0.00 N ATOM 546 CD2 HIS A 36 -6.564 -9.794 -6.653 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.531 -7.911 -6.083 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.397 -9.182 -5.749 1.00 0.00 N ATOM 0 H HIS A 36 -4.348 -9.699 -11.302 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.606 -10.459 -9.551 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.378 -9.461 -8.472 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.023 -7.945 -9.071 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.736 -6.792 -7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.262 -10.831 -6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.125 -7.179 -5.557 1.00 0.00 H new ATOM 557 N LYS A 37 -7.892 -9.182 -11.275 1.00 0.00 N ATOM 558 CA LYS A 37 -8.765 -8.354 -12.097 1.00 0.00 C ATOM 559 C LYS A 37 -9.013 -7.001 -11.437 1.00 0.00 C ATOM 560 O LYS A 37 -8.788 -5.953 -12.043 1.00 0.00 O ATOM 561 CB LYS A 37 -10.098 -9.066 -12.341 1.00 0.00 C ATOM 562 CG LYS A 37 -9.978 -10.295 -13.225 1.00 0.00 C ATOM 563 CD LYS A 37 -11.279 -11.079 -13.270 1.00 0.00 C ATOM 564 CE LYS A 37 -11.059 -12.495 -13.781 1.00 0.00 C ATOM 565 NZ LYS A 37 -10.186 -13.284 -12.868 1.00 0.00 N ATOM 0 H LYS A 37 -8.232 -10.131 -11.123 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.269 -8.187 -13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.525 -9.359 -11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.796 -8.366 -12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.699 -9.992 -14.234 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.179 -10.936 -12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.718 -11.115 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.993 -10.565 -13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.021 -12.996 -13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.608 -12.457 -14.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.668 -14.167 -12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.292 -13.508 -13.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.988 -12.729 -12.011 1.00 0.00 H new ATOM 579 N ARG A 38 -9.476 -7.032 -10.191 1.00 0.00 N ATOM 580 CA ARG A 38 -9.754 -5.809 -9.449 1.00 0.00 C ATOM 581 C ARG A 38 -8.471 -5.022 -9.198 1.00 0.00 C ATOM 582 O ARG A 38 -7.392 -5.600 -9.058 1.00 0.00 O ATOM 583 CB ARG A 38 -10.431 -6.138 -8.117 1.00 0.00 C ATOM 584 CG ARG A 38 -10.698 -4.917 -7.252 1.00 0.00 C ATOM 585 CD ARG A 38 -10.804 -5.289 -5.781 1.00 0.00 C ATOM 586 NE ARG A 38 -11.972 -6.124 -5.511 1.00 0.00 N ATOM 587 CZ ARG A 38 -12.262 -6.617 -4.312 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.473 -6.360 -3.278 1.00 0.00 N ATOM 589 NH2 ARG A 38 -13.343 -7.369 -4.146 1.00 0.00 N ATOM 0 H ARG A 38 -9.666 -7.891 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.426 -5.195 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.375 -6.646 -8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.803 -6.835 -7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.896 -4.191 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.622 -4.436 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.901 -5.818 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.861 -4.381 -5.180 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.599 -6.340 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.641 -5.783 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.698 -6.740 -2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.952 -7.569 -4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.565 -7.747 -3.225 1.00 0.00 H new ATOM 603 N LEU A 39 -8.594 -3.700 -9.144 1.00 0.00 N ATOM 604 CA LEU A 39 -7.445 -2.833 -8.911 1.00 0.00 C ATOM 605 C LEU A 39 -7.728 -1.845 -7.784 1.00 0.00 C ATOM 606 O LEU A 39 -8.777 -1.904 -7.142 1.00 0.00 O ATOM 607 CB LEU A 39 -7.085 -2.075 -10.190 1.00 0.00 C ATOM 608 CG LEU A 39 -6.458 -2.908 -11.309 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.312 -2.077 -12.575 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.108 -3.458 -10.872 1.00 0.00 C ATOM 0 H LEU A 39 -9.479 -3.205 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.602 -3.459 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.989 -1.605 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.394 -1.272 -9.931 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.118 -3.748 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.864 -2.686 -13.360 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.294 -1.732 -12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.673 -1.217 -12.374 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.677 -4.048 -11.681 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.440 -2.632 -10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.239 -4.089 -9.993 1.00 0.00 H new ATOM 622 N ILE A 40 -6.786 -0.937 -7.550 1.00 0.00 N ATOM 623 CA ILE A 40 -6.936 0.066 -6.503 1.00 0.00 C ATOM 624 C ILE A 40 -7.403 1.398 -7.080 1.00 0.00 C ATOM 625 O ILE A 40 -6.674 2.053 -7.825 1.00 0.00 O ATOM 626 CB ILE A 40 -5.617 0.284 -5.739 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.189 -1.006 -5.038 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.768 1.415 -4.733 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.816 -0.925 -4.408 1.00 0.00 C ATOM 0 H ILE A 40 -5.911 -0.876 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.689 -0.311 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.842 0.561 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.920 -1.251 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.201 -1.823 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.827 1.557 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.031 2.334 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.554 1.165 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.579 -1.875 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.074 -0.711 -5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.804 -0.130 -3.662 1.00 0.00 H new ATOM 641 N ARG A 41 -8.622 1.794 -6.729 1.00 0.00 N ATOM 642 CA ARG A 41 -9.187 3.049 -7.212 1.00 0.00 C ATOM 643 C ARG A 41 -8.813 4.204 -6.288 1.00 0.00 C ATOM 644 O ARG A 41 -8.162 5.162 -6.707 1.00 0.00 O ATOM 645 CB ARG A 41 -10.709 2.940 -7.320 1.00 0.00 C ATOM 646 CG ARG A 41 -11.178 2.122 -8.511 1.00 0.00 C ATOM 647 CD ARG A 41 -12.532 1.481 -8.249 1.00 0.00 C ATOM 648 NE ARG A 41 -13.636 2.370 -8.599 1.00 0.00 N ATOM 649 CZ ARG A 41 -14.849 2.280 -8.067 1.00 0.00 C ATOM 650 NH1 ARG A 41 -15.114 1.344 -7.165 1.00 0.00 N ATOM 651 NH2 ARG A 41 -15.802 3.126 -8.436 1.00 0.00 N ATOM 0 H ARG A 41 -9.238 1.264 -6.112 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.773 3.248 -8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.098 2.491 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.133 3.942 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.242 2.762 -9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.444 1.347 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.613 0.558 -8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.606 1.208 -7.196 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.466 3.100 -9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.385 0.691 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.047 1.277 -6.758 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.603 3.847 -9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.733 3.055 -8.026 1.00 0.00 H new ATOM 665 N ASP A 42 -9.229 4.107 -5.030 1.00 0.00 N ATOM 666 CA ASP A 42 -8.937 5.143 -4.046 1.00 0.00 C ATOM 667 C ASP A 42 -8.032 4.606 -2.942 1.00 0.00 C ATOM 668 O ASP A 42 -8.497 3.956 -2.004 1.00 0.00 O ATOM 669 CB ASP A 42 -10.235 5.682 -3.441 1.00 0.00 C ATOM 670 CG ASP A 42 -11.219 6.141 -4.498 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.781 6.429 -5.632 1.00 0.00 O ATOM 672 OD2 ASP A 42 -12.428 6.214 -4.192 1.00 0.00 O ATOM 0 H ASP A 42 -9.769 3.322 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.417 5.955 -4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.697 4.906 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.005 6.515 -2.777 1.00 0.00 H new ATOM 677 N LEU A 43 -6.737 4.879 -3.061 1.00 0.00 N ATOM 678 CA LEU A 43 -5.765 4.422 -2.073 1.00 0.00 C ATOM 679 C LEU A 43 -6.253 4.708 -0.657 1.00 0.00 C ATOM 680 O LEU A 43 -5.978 3.946 0.270 1.00 0.00 O ATOM 681 CB LEU A 43 -4.414 5.100 -2.307 1.00 0.00 C ATOM 682 CG LEU A 43 -3.192 4.374 -1.743 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.914 3.104 -2.533 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.976 5.289 -1.755 1.00 0.00 C ATOM 0 H LEU A 43 -6.336 5.414 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.648 3.344 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.274 5.225 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.451 6.099 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.403 4.096 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.041 2.601 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.778 2.442 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.724 3.358 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.116 4.756 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.763 5.598 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.177 6.170 -1.145 1.00 0.00 H new ATOM 696 N GLN A 44 -6.979 5.810 -0.497 1.00 0.00 N ATOM 697 CA GLN A 44 -7.505 6.195 0.807 1.00 0.00 C ATOM 698 C GLN A 44 -8.613 5.244 1.249 1.00 0.00 C ATOM 699 O GLN A 44 -8.683 4.859 2.415 1.00 0.00 O ATOM 700 CB GLN A 44 -8.035 7.629 0.763 1.00 0.00 C ATOM 701 CG GLN A 44 -6.940 8.682 0.742 1.00 0.00 C ATOM 702 CD GLN A 44 -7.351 9.938 0.000 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.655 9.897 -1.193 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.363 11.065 0.702 1.00 0.00 N ATOM 0 H GLN A 44 -7.216 6.451 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.692 6.138 1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.660 7.749 -0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.674 7.798 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.671 8.941 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.048 8.264 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.104 11.054 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.631 11.942 0.255 1.00 0.00 H new ATOM 713 N GLN A 45 -9.476 4.871 0.309 1.00 0.00 N ATOM 714 CA GLN A 45 -10.581 3.966 0.603 1.00 0.00 C ATOM 715 C GLN A 45 -10.255 2.545 0.155 1.00 0.00 C ATOM 716 O GLN A 45 -11.137 1.691 0.075 1.00 0.00 O ATOM 717 CB GLN A 45 -11.860 4.449 -0.083 1.00 0.00 C ATOM 718 CG GLN A 45 -12.425 5.727 0.514 1.00 0.00 C ATOM 719 CD GLN A 45 -13.927 5.839 0.339 1.00 0.00 C ATOM 720 OE1 GLN A 45 -14.689 5.659 1.289 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.360 6.137 -0.880 1.00 0.00 N ATOM 0 H GLN A 45 -9.431 5.181 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.736 3.961 1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.656 4.612 -1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.614 3.664 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.183 5.765 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.944 6.586 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.692 6.278 -1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.360 6.225 -1.058 1.00 0.00 H new ATOM 730 N ASP A 46 -8.982 2.299 -0.136 1.00 0.00 N ATOM 731 CA ASP A 46 -8.539 0.981 -0.575 1.00 0.00 C ATOM 732 C ASP A 46 -7.847 0.234 0.560 1.00 0.00 C ATOM 733 O ASP A 46 -7.976 -0.984 0.685 1.00 0.00 O ATOM 734 CB ASP A 46 -7.591 1.110 -1.769 1.00 0.00 C ATOM 735 CG ASP A 46 -8.324 1.072 -3.096 1.00 0.00 C ATOM 736 OD1 ASP A 46 -8.768 2.144 -3.560 1.00 0.00 O ATOM 737 OD2 ASP A 46 -8.451 -0.028 -3.672 1.00 0.00 O ATOM 0 H ASP A 46 -8.239 2.995 -0.076 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.418 0.412 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.037 2.045 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.860 0.302 -1.738 1.00 0.00 H new ATOM 742 N VAL A 47 -7.112 0.972 1.386 1.00 0.00 N ATOM 743 CA VAL A 47 -6.399 0.379 2.512 1.00 0.00 C ATOM 744 C VAL A 47 -7.129 0.643 3.824 1.00 0.00 C ATOM 745 O VAL A 47 -6.505 0.828 4.869 1.00 0.00 O ATOM 746 CB VAL A 47 -4.963 0.926 2.618 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.199 0.673 1.327 1.00 0.00 C ATOM 748 CG2 VAL A 47 -4.981 2.409 2.954 1.00 0.00 C ATOM 0 H VAL A 47 -6.995 1.981 1.297 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.358 -0.695 2.331 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.451 0.401 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.187 1.066 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.156 -0.399 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.707 1.170 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.958 2.778 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.510 2.953 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.488 2.560 3.907 1.00 0.00 H new ATOM 758 N THR A 48 -8.457 0.658 3.764 1.00 0.00 N ATOM 759 CA THR A 48 -9.273 0.900 4.947 1.00 0.00 C ATOM 760 C THR A 48 -9.495 -0.387 5.734 1.00 0.00 C ATOM 761 O THR A 48 -9.522 -0.376 6.965 1.00 0.00 O ATOM 762 CB THR A 48 -10.641 1.501 4.573 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.276 0.691 3.577 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.484 2.922 4.053 1.00 0.00 C ATOM 0 H THR A 48 -8.990 0.505 2.908 1.00 0.00 H new ATOM 0 HA THR A 48 -8.728 1.613 5.566 1.00 0.00 H new ATOM 0 HB THR A 48 -11.260 1.525 5.470 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.671 -0.099 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.463 3.325 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.027 3.543 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.849 2.917 3.167 1.00 0.00 H new ATOM 772 N ASP A 49 -9.652 -1.494 5.017 1.00 0.00 N ATOM 773 CA ASP A 49 -9.869 -2.790 5.649 1.00 0.00 C ATOM 774 C ASP A 49 -8.562 -3.570 5.751 1.00 0.00 C ATOM 775 O ASP A 49 -8.440 -4.492 6.557 1.00 0.00 O ATOM 776 CB ASP A 49 -10.900 -3.599 4.861 1.00 0.00 C ATOM 777 CG ASP A 49 -11.910 -2.717 4.153 1.00 0.00 C ATOM 778 OD1 ASP A 49 -12.514 -1.852 4.821 1.00 0.00 O ATOM 779 OD2 ASP A 49 -12.096 -2.892 2.931 1.00 0.00 O ATOM 0 H ASP A 49 -9.633 -1.520 3.998 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.248 -2.617 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.386 -4.220 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.423 -4.274 5.539 1.00 0.00 H new ATOM 784 N GLY A 50 -7.588 -3.194 4.928 1.00 0.00 N ATOM 785 CA GLY A 50 -6.304 -3.870 4.942 1.00 0.00 C ATOM 786 C GLY A 50 -6.264 -5.058 4.001 1.00 0.00 C ATOM 787 O GLY A 50 -5.206 -5.413 3.482 1.00 0.00 O ATOM 0 H GLY A 50 -7.665 -2.434 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.522 -3.164 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.085 -4.206 5.956 1.00 0.00 H new ATOM 791 N VAL A 51 -7.420 -5.676 3.782 1.00 0.00 N ATOM 792 CA VAL A 51 -7.513 -6.832 2.898 1.00 0.00 C ATOM 793 C VAL A 51 -6.775 -6.582 1.587 1.00 0.00 C ATOM 794 O VAL A 51 -5.786 -7.250 1.282 1.00 0.00 O ATOM 795 CB VAL A 51 -8.980 -7.186 2.589 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.055 -8.353 1.617 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.733 -7.501 3.873 1.00 0.00 C ATOM 0 H VAL A 51 -8.305 -5.396 4.204 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.048 -7.668 3.420 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.453 -6.323 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.099 -8.588 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.553 -8.085 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.567 -9.223 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.768 -7.749 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.262 -8.348 4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.709 -6.632 4.531 1.00 0.00 H new ATOM 807 N LEU A 52 -7.262 -5.617 0.815 1.00 0.00 N ATOM 808 CA LEU A 52 -6.649 -5.278 -0.464 1.00 0.00 C ATOM 809 C LEU A 52 -5.181 -4.905 -0.282 1.00 0.00 C ATOM 810 O LEU A 52 -4.332 -5.262 -1.101 1.00 0.00 O ATOM 811 CB LEU A 52 -7.403 -4.121 -1.123 1.00 0.00 C ATOM 812 CG LEU A 52 -7.397 -4.100 -2.652 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.398 -3.082 -3.175 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.001 -3.797 -3.175 1.00 0.00 C ATOM 0 H LEU A 52 -8.080 -5.055 1.053 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.705 -6.155 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.439 -4.149 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.975 -3.184 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.691 -5.086 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.380 -3.081 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.398 -3.344 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.135 -2.090 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.015 -3.786 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.678 -2.823 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.308 -4.564 -2.829 1.00 0.00 H new ATOM 826 N LEU A 53 -4.888 -4.187 0.797 1.00 0.00 N ATOM 827 CA LEU A 53 -3.521 -3.767 1.088 1.00 0.00 C ATOM 828 C LEU A 53 -2.575 -4.963 1.098 1.00 0.00 C ATOM 829 O LEU A 53 -1.573 -4.981 0.383 1.00 0.00 O ATOM 830 CB LEU A 53 -3.465 -3.046 2.436 1.00 0.00 C ATOM 831 CG LEU A 53 -2.119 -3.085 3.162 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.032 -2.457 2.304 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.218 -2.376 4.505 1.00 0.00 C ATOM 0 H LEU A 53 -5.578 -3.884 1.484 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.202 -3.082 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.741 -2.003 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.221 -3.481 3.090 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.854 -4.127 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.082 -2.494 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.945 -3.007 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.290 -1.419 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.252 -2.413 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.505 -1.336 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.968 -2.870 5.123 1.00 0.00 H new ATOM 845 N ALA A 54 -2.900 -5.962 1.911 1.00 0.00 N ATOM 846 CA ALA A 54 -2.082 -7.164 2.011 1.00 0.00 C ATOM 847 C ALA A 54 -1.863 -7.794 0.640 1.00 0.00 C ATOM 848 O ALA A 54 -0.747 -8.186 0.299 1.00 0.00 O ATOM 849 CB ALA A 54 -2.727 -8.166 2.957 1.00 0.00 C ATOM 0 H ALA A 54 -3.725 -5.963 2.511 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.109 -6.878 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.104 -9.058 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.826 -7.720 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.713 -8.438 2.581 1.00 0.00 H new ATOM 855 N GLN A 55 -2.934 -7.889 -0.141 1.00 0.00 N ATOM 856 CA GLN A 55 -2.858 -8.474 -1.474 1.00 0.00 C ATOM 857 C GLN A 55 -1.571 -8.057 -2.179 1.00 0.00 C ATOM 858 O GLN A 55 -0.968 -8.845 -2.907 1.00 0.00 O ATOM 859 CB GLN A 55 -4.069 -8.053 -2.308 1.00 0.00 C ATOM 860 CG GLN A 55 -5.400 -8.461 -1.698 1.00 0.00 C ATOM 861 CD GLN A 55 -6.563 -8.273 -2.652 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.343 -9.196 -2.889 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.685 -7.072 -3.206 1.00 0.00 N ATOM 0 H GLN A 55 -3.865 -7.568 0.126 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.858 -9.559 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.054 -6.971 -2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.985 -8.492 -3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.350 -9.507 -1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.577 -7.875 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.016 -6.336 -2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.448 -6.886 -3.857 1.00 0.00 H new ATOM 872 N ILE A 56 -1.157 -6.814 -1.957 1.00 0.00 N ATOM 873 CA ILE A 56 0.058 -6.293 -2.570 1.00 0.00 C ATOM 874 C ILE A 56 1.289 -6.655 -1.745 1.00 0.00 C ATOM 875 O ILE A 56 2.293 -7.122 -2.282 1.00 0.00 O ATOM 876 CB ILE A 56 -0.004 -4.763 -2.733 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.149 -4.375 -3.672 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.321 -4.231 -3.258 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.452 -4.101 -2.954 1.00 0.00 C ATOM 0 H ILE A 56 -1.645 -6.149 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 56 0.135 -6.752 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.191 -4.316 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.861 -3.488 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.303 -5.176 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.261 -3.148 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.117 -4.481 -2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.536 -4.682 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.218 -3.832 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.763 -4.994 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.314 -3.279 -2.251 1.00 0.00 H new ATOM 891 N ILE A 57 1.202 -6.437 -0.437 1.00 0.00 N ATOM 892 CA ILE A 57 2.307 -6.744 0.463 1.00 0.00 C ATOM 893 C ILE A 57 2.761 -8.191 0.303 1.00 0.00 C ATOM 894 O ILE A 57 3.919 -8.456 -0.018 1.00 0.00 O ATOM 895 CB ILE A 57 1.921 -6.498 1.933 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.417 -5.065 2.118 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.108 -6.769 2.845 1.00 0.00 C ATOM 898 CD1 ILE A 57 0.761 -4.824 3.460 1.00 0.00 C ATOM 0 H ILE A 57 0.378 -6.049 0.023 1.00 0.00 H new ATOM 0 HA ILE A 57 3.127 -6.077 0.195 1.00 0.00 H new ATOM 0 HB ILE A 57 1.117 -7.184 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.254 -4.376 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.703 -4.834 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.819 -6.591 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.426 -7.805 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.931 -6.105 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.428 -3.788 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.097 -5.488 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.478 -5.022 4.256 1.00 0.00 H new ATOM 910 N GLN A 58 1.840 -9.122 0.528 1.00 0.00 N ATOM 911 CA GLN A 58 2.146 -10.543 0.408 1.00 0.00 C ATOM 912 C GLN A 58 2.882 -10.833 -0.896 1.00 0.00 C ATOM 913 O GLN A 58 3.704 -11.747 -0.967 1.00 0.00 O ATOM 914 CB GLN A 58 0.862 -11.370 0.478 1.00 0.00 C ATOM 915 CG GLN A 58 0.172 -11.310 1.831 1.00 0.00 C ATOM 916 CD GLN A 58 -1.010 -12.255 1.927 1.00 0.00 C ATOM 917 OE1 GLN A 58 -1.092 -13.074 2.842 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.934 -12.145 0.979 1.00 0.00 N ATOM 0 H GLN A 58 0.877 -8.919 0.794 1.00 0.00 H new ATOM 0 HA GLN A 58 2.794 -10.821 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.171 -11.019 -0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.096 -12.409 0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.892 -11.554 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.167 -10.291 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.825 -11.452 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.752 -12.754 0.991 1.00 0.00 H new ATOM 927 N VAL A 59 2.581 -10.049 -1.926 1.00 0.00 N ATOM 928 CA VAL A 59 3.214 -10.222 -3.229 1.00 0.00 C ATOM 929 C VAL A 59 4.615 -9.621 -3.242 1.00 0.00 C ATOM 930 O VAL A 59 5.609 -10.339 -3.343 1.00 0.00 O ATOM 931 CB VAL A 59 2.378 -9.574 -4.349 1.00 0.00 C ATOM 932 CG1 VAL A 59 3.189 -9.478 -5.632 1.00 0.00 C ATOM 933 CG2 VAL A 59 1.095 -10.358 -4.577 1.00 0.00 C ATOM 0 H VAL A 59 1.903 -9.288 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 59 3.280 -11.295 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 59 2.109 -8.564 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.583 -9.018 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.077 -8.870 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.490 -10.477 -5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.517 -9.886 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.340 -11.381 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.508 -10.370 -3.659 1.00 0.00 H new ATOM 943 N VAL A 60 4.686 -8.297 -3.140 1.00 0.00 N ATOM 944 CA VAL A 60 5.966 -7.599 -3.138 1.00 0.00 C ATOM 945 C VAL A 60 6.900 -8.164 -2.075 1.00 0.00 C ATOM 946 O VAL A 60 8.120 -8.035 -2.173 1.00 0.00 O ATOM 947 CB VAL A 60 5.781 -6.089 -2.893 1.00 0.00 C ATOM 948 CG1 VAL A 60 5.074 -5.846 -1.568 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.124 -5.375 -2.929 1.00 0.00 C ATOM 0 H VAL A 60 3.873 -7.687 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 60 6.409 -7.749 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 60 5.158 -5.683 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.952 -4.774 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.095 -6.324 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.668 -6.266 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.974 -4.310 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.773 -5.782 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.588 -5.521 -3.905 1.00 0.00 H new ATOM 959 N ALA A 61 6.319 -8.793 -1.058 1.00 0.00 N ATOM 960 CA ALA A 61 7.099 -9.382 0.023 1.00 0.00 C ATOM 961 C ALA A 61 7.255 -10.886 -0.168 1.00 0.00 C ATOM 962 O ALA A 61 8.062 -11.527 0.504 1.00 0.00 O ATOM 963 CB ALA A 61 6.450 -9.082 1.366 1.00 0.00 C ATOM 0 H ALA A 61 5.310 -8.908 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 61 8.093 -8.936 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.043 -9.528 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.398 -8.003 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.443 -9.500 1.385 1.00 0.00 H new ATOM 969 N ASN A 62 6.476 -11.445 -1.089 1.00 0.00 N ATOM 970 CA ASN A 62 6.526 -12.876 -1.367 1.00 0.00 C ATOM 971 C ASN A 62 6.276 -13.686 -0.099 1.00 0.00 C ATOM 972 O ASN A 62 6.938 -14.693 0.145 1.00 0.00 O ATOM 973 CB ASN A 62 7.883 -13.252 -1.967 1.00 0.00 C ATOM 974 CG ASN A 62 8.030 -12.785 -3.403 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.906 -13.574 -4.340 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.295 -11.496 -3.581 1.00 0.00 N ATOM 0 H ASN A 62 5.803 -10.929 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 62 5.740 -13.109 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.678 -12.815 -1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.009 -14.334 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.404 -11.123 -4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.389 -10.879 -2.775 1.00 0.00 H new ATOM 983 N GLU A 63 5.315 -13.238 0.703 1.00 0.00 N ATOM 984 CA GLU A 63 4.978 -13.921 1.946 1.00 0.00 C ATOM 985 C GLU A 63 3.482 -13.827 2.230 1.00 0.00 C ATOM 986 O GLU A 63 2.782 -12.989 1.663 1.00 0.00 O ATOM 987 CB GLU A 63 5.769 -13.325 3.113 1.00 0.00 C ATOM 988 CG GLU A 63 6.074 -14.325 4.215 1.00 0.00 C ATOM 989 CD GLU A 63 7.048 -15.400 3.774 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.103 -15.047 3.207 1.00 0.00 O ATOM 991 OE2 GLU A 63 6.755 -16.593 3.996 1.00 0.00 O ATOM 0 H GLU A 63 4.757 -12.406 0.514 1.00 0.00 H new ATOM 0 HA GLU A 63 5.244 -14.972 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.706 -12.917 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.206 -12.493 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.486 -13.798 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.146 -14.793 4.543 1.00 0.00 H new ATOM 998 N LYS A 64 2.998 -14.695 3.113 1.00 0.00 N ATOM 999 CA LYS A 64 1.585 -14.711 3.474 1.00 0.00 C ATOM 1000 C LYS A 64 1.388 -14.258 4.917 1.00 0.00 C ATOM 1001 O LYS A 64 2.125 -14.670 5.813 1.00 0.00 O ATOM 1002 CB LYS A 64 1.006 -16.115 3.286 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.397 -16.275 3.847 1.00 0.00 C ATOM 1004 CD LYS A 64 -1.454 -15.956 2.803 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.864 -17.199 2.028 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.439 -16.858 0.698 1.00 0.00 N ATOM 0 H LYS A 64 3.563 -15.396 3.591 1.00 0.00 H new ATOM 0 HA LYS A 64 1.060 -14.017 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.992 -16.354 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.665 -16.838 3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.533 -17.296 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.523 -15.617 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.329 -15.524 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.070 -15.205 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.997 -17.846 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.596 -17.763 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.706 -17.732 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.281 -16.262 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.732 -16.342 0.136 1.00 0.00 H new ATOM 1020 N ILE A 65 0.389 -13.409 5.134 1.00 0.00 N ATOM 1021 CA ILE A 65 0.094 -12.903 6.469 1.00 0.00 C ATOM 1022 C ILE A 65 -1.060 -13.670 7.105 1.00 0.00 C ATOM 1023 O ILE A 65 -2.207 -13.553 6.676 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.257 -11.404 6.437 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.769 -10.635 5.603 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.324 -10.845 7.851 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.307 -9.251 5.202 1.00 0.00 C ATOM 0 H ILE A 65 -0.229 -13.057 4.403 1.00 0.00 H new ATOM 0 HA ILE A 65 0.994 -13.045 7.067 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.236 -11.286 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.696 -10.550 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.997 -11.208 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.573 -9.785 7.812 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.089 -11.377 8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.642 -10.973 8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.084 -8.764 4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.603 -9.329 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.106 -8.661 6.096 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.747 -14.454 8.133 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.759 -15.240 8.829 1.00 0.00 C ATOM 1041 C GLU A 66 -2.618 -14.351 9.724 1.00 0.00 C ATOM 1042 O GLU A 66 -3.784 -14.651 9.979 1.00 0.00 O ATOM 1043 CB GLU A 66 -1.097 -16.337 9.666 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.324 -17.351 8.839 1.00 0.00 C ATOM 1045 CD GLU A 66 0.110 -18.556 9.650 1.00 0.00 C ATOM 1046 OE1 GLU A 66 0.984 -18.397 10.528 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -0.424 -19.659 9.407 1.00 0.00 O ATOM 0 H GLU A 66 0.198 -14.561 8.501 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.402 -15.702 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.420 -15.875 10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.864 -16.857 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.944 -17.683 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.555 -16.870 8.411 1.00 0.00 H new ATOM 1054 N ASP A 67 -2.032 -13.257 10.197 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.742 -12.323 11.063 1.00 0.00 C ATOM 1056 C ASP A 67 -3.649 -11.407 10.247 1.00 0.00 C ATOM 1057 O ASP A 67 -3.702 -10.200 10.483 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.749 -11.488 11.873 1.00 0.00 C ATOM 1059 CG ASP A 67 -1.256 -12.214 13.109 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -1.010 -13.435 13.022 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -1.116 -11.562 14.165 1.00 0.00 O ATOM 0 H ASP A 67 -1.067 -12.995 9.995 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.361 -12.902 11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.898 -11.229 11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.222 -10.552 12.169 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.358 -11.989 9.286 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.262 -11.224 8.435 1.00 0.00 C ATOM 1068 C ILE A 68 -6.707 -11.670 8.628 1.00 0.00 C ATOM 1069 O ILE A 68 -7.001 -12.864 8.651 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.888 -11.364 6.948 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.477 -10.826 6.702 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.899 -10.634 6.076 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.354 -9.333 6.916 1.00 0.00 C ATOM 0 H ILE A 68 -4.324 -12.987 9.077 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.164 -10.179 8.729 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.905 -12.421 6.682 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.781 -11.339 7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.179 -11.064 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.621 -10.742 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.890 -11.059 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.911 -9.577 6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.327 -9.021 6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.025 -8.811 6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.621 -9.090 7.944 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.607 -10.701 8.764 1.00 0.00 N ATOM 1086 CA ASN A 69 -9.023 -10.993 8.954 1.00 0.00 C ATOM 1087 C ASN A 69 -9.867 -10.317 7.878 1.00 0.00 C ATOM 1088 O ASN A 69 -10.152 -9.123 7.957 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.479 -10.533 10.340 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.989 -10.518 10.476 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.596 -11.508 10.886 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.603 -9.392 10.131 1.00 0.00 N ATOM 0 H ASN A 69 -7.380 -9.707 8.746 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.160 -12.071 8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.055 -11.193 11.097 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.089 -9.534 10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.618 -9.323 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.059 -8.597 9.796 1.00 0.00 H new ATOM 1099 N GLY A 70 -10.264 -11.090 6.871 1.00 0.00 N ATOM 1100 CA GLY A 70 -11.072 -10.548 5.794 1.00 0.00 C ATOM 1101 C GLY A 70 -12.539 -10.451 6.162 1.00 0.00 C ATOM 1102 O GLY A 70 -13.412 -10.689 5.327 1.00 0.00 O ATOM 0 H GLY A 70 -10.040 -12.081 6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.701 -9.558 5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.963 -11.177 4.910 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.811 -10.102 7.414 1.00 0.00 N ATOM 1107 CA CYS A 71 -14.183 -9.976 7.892 1.00 0.00 C ATOM 1108 C CYS A 71 -14.359 -8.700 8.710 1.00 0.00 C ATOM 1109 O CYS A 71 -14.762 -8.730 9.873 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.566 -11.193 8.735 1.00 0.00 C ATOM 1111 SG CYS A 71 -16.339 -11.545 8.760 1.00 0.00 S ATOM 0 H CYS A 71 -12.100 -9.901 8.117 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.840 -9.923 7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.038 -12.067 8.353 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.223 -11.036 9.758 1.00 0.00 H new ATOM 0 HG CYS A 71 -16.563 -12.592 9.497 1.00 0.00 H new ATOM 1117 N PRO A 72 -14.050 -7.552 8.090 1.00 0.00 N ATOM 1118 CA PRO A 72 -14.164 -6.244 8.743 1.00 0.00 C ATOM 1119 C PRO A 72 -15.616 -5.840 8.978 1.00 0.00 C ATOM 1120 O PRO A 72 -16.183 -5.053 8.220 1.00 0.00 O ATOM 1121 CB PRO A 72 -13.498 -5.291 7.747 1.00 0.00 C ATOM 1122 CG PRO A 72 -13.638 -5.966 6.426 1.00 0.00 C ATOM 1123 CD PRO A 72 -13.564 -7.442 6.705 1.00 0.00 C ATOM 0 HA PRO A 72 -13.703 -6.239 9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.984 -4.315 7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.450 -5.125 7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.585 -5.705 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.845 -5.658 5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.185 -8.013 6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.546 -7.819 6.605 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.212 -6.382 10.034 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.597 -6.076 10.372 1.00 0.00 C ATOM 1133 C LYS A 73 -17.681 -4.840 11.261 1.00 0.00 C ATOM 1134 O LYS A 73 -18.483 -3.940 11.015 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.247 -7.269 11.077 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.449 -8.473 10.173 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.745 -8.369 9.386 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.649 -9.099 8.055 1.00 0.00 C ATOM 1139 NZ LYS A 73 -20.043 -10.530 8.179 1.00 0.00 N ATOM 0 H LYS A 73 -15.757 -7.036 10.671 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.134 -5.872 9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.627 -7.561 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.212 -6.961 11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.609 -8.556 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.459 -9.382 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.563 -8.787 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.982 -7.320 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.291 -8.607 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.628 -9.034 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.964 -10.993 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.415 -11.005 8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.025 -10.592 8.515 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.846 -4.803 12.295 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.825 -3.675 13.220 1.00 0.00 C ATOM 1155 C ASN A 74 -15.683 -2.720 12.888 1.00 0.00 C ATOM 1156 O ASN A 74 -14.637 -3.136 12.389 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.686 -4.173 14.660 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.927 -4.899 15.143 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.671 -5.475 14.349 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -18.156 -4.874 16.451 1.00 0.00 N ATOM 0 H ASN A 74 -16.176 -5.540 12.513 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.767 -3.136 13.118 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.827 -4.841 14.729 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.485 -3.326 15.317 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.976 -5.345 16.834 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.512 -4.384 17.072 1.00 0.00 H new ATOM 1167 N ARG A 75 -15.891 -1.438 13.169 1.00 0.00 N ATOM 1168 CA ARG A 75 -14.879 -0.423 12.900 1.00 0.00 C ATOM 1169 C ARG A 75 -13.512 -0.869 13.412 1.00 0.00 C ATOM 1170 O ARG A 75 -12.477 -0.433 12.908 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.272 0.904 13.551 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.493 0.805 15.052 1.00 0.00 C ATOM 1173 CD ARG A 75 -15.160 2.113 15.752 1.00 0.00 C ATOM 1174 NE ARG A 75 -15.400 2.040 17.190 1.00 0.00 N ATOM 1175 CZ ARG A 75 -16.587 2.251 17.748 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -17.636 2.546 16.993 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -16.727 2.167 19.065 1.00 0.00 N ATOM 0 H ARG A 75 -16.751 -1.077 13.583 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.816 -0.285 11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.492 1.640 13.355 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.184 1.273 13.082 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.531 0.539 15.251 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.875 0.005 15.460 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.115 2.365 15.571 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.760 2.916 15.325 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.614 1.815 17.799 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.533 2.612 15.980 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.546 2.707 17.425 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.923 1.940 19.650 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.639 2.329 19.492 1.00 0.00 H new ATOM 1191 N SER A 76 -13.518 -1.739 14.417 1.00 0.00 N ATOM 1192 CA SER A 76 -12.279 -2.240 15.000 1.00 0.00 C ATOM 1193 C SER A 76 -11.691 -3.360 14.148 1.00 0.00 C ATOM 1194 O SER A 76 -10.503 -3.350 13.825 1.00 0.00 O ATOM 1195 CB SER A 76 -12.528 -2.744 16.423 1.00 0.00 C ATOM 1196 OG SER A 76 -13.334 -1.835 17.152 1.00 0.00 O ATOM 0 H SER A 76 -14.366 -2.111 14.844 1.00 0.00 H new ATOM 0 HA SER A 76 -11.564 -1.418 15.032 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.015 -3.719 16.387 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.576 -2.882 16.935 1.00 0.00 H new ATOM 0 HG SER A 76 -13.480 -2.181 18.057 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.532 -4.324 13.787 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.096 -5.452 12.972 1.00 0.00 C ATOM 1204 C GLN A 77 -11.049 -5.015 11.953 1.00 0.00 C ATOM 1205 O GLN A 77 -9.953 -5.573 11.896 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.291 -6.083 12.255 1.00 0.00 C ATOM 1207 CG GLN A 77 -14.194 -6.890 13.173 1.00 0.00 C ATOM 1208 CD GLN A 77 -13.457 -8.011 13.879 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -12.656 -7.770 14.783 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.724 -9.246 13.470 1.00 0.00 N ATOM 0 H GLN A 77 -13.518 -4.347 14.046 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.646 -6.193 13.633 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.878 -5.295 11.782 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.925 -6.730 11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.636 -6.227 13.916 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -15.015 -7.310 12.592 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.395 -9.400 12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.258 -10.040 13.909 1.00 0.00 H new ATOM 1219 N MET A 78 -11.393 -4.014 11.150 1.00 0.00 N ATOM 1220 CA MET A 78 -10.482 -3.502 10.133 1.00 0.00 C ATOM 1221 C MET A 78 -9.114 -3.194 10.734 1.00 0.00 C ATOM 1222 O MET A 78 -8.081 -3.522 10.149 1.00 0.00 O ATOM 1223 CB MET A 78 -11.062 -2.243 9.486 1.00 0.00 C ATOM 1224 CG MET A 78 -12.325 -2.500 8.680 1.00 0.00 C ATOM 1225 SD MET A 78 -13.235 -0.988 8.313 1.00 0.00 S ATOM 1226 CE MET A 78 -14.920 -1.534 8.578 1.00 0.00 C ATOM 0 H MET A 78 -12.296 -3.541 11.184 1.00 0.00 H new ATOM 0 HA MET A 78 -10.360 -4.271 9.370 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.280 -1.512 10.265 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.309 -1.800 8.834 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.061 -2.996 7.746 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.971 -3.183 9.232 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.597 -0.686 8.476 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.177 -2.294 7.840 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.013 -1.955 9.579 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.115 -2.564 11.904 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.874 -2.214 12.583 1.00 0.00 C ATOM 1238 C ILE A 79 -6.858 -3.348 12.492 1.00 0.00 C ATOM 1239 O ILE A 79 -5.799 -3.198 11.883 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.119 -1.878 14.066 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.145 -0.750 14.194 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.813 -1.493 14.745 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.701 0.545 13.550 1.00 0.00 C ATOM 0 H ILE A 79 -9.961 -2.286 12.401 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.477 -1.332 12.079 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.517 -2.763 14.562 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.083 -1.069 13.740 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.347 -0.571 15.250 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.003 -1.258 15.792 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.111 -2.324 14.681 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.388 -0.620 14.249 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.476 1.300 13.679 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.779 0.888 14.020 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.527 0.382 12.486 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.190 -4.483 13.099 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.306 -5.643 13.085 1.00 0.00 C ATOM 1257 C GLU A 80 -5.693 -5.843 11.702 1.00 0.00 C ATOM 1258 O GLU A 80 -4.475 -5.796 11.539 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.072 -6.900 13.502 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.368 -6.968 14.991 1.00 0.00 C ATOM 1261 CD GLU A 80 -8.333 -5.890 15.443 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -9.478 -5.871 14.946 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -7.943 -5.065 16.296 1.00 0.00 O ATOM 0 H GLU A 80 -8.064 -4.624 13.606 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.501 -5.463 13.798 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.012 -6.942 12.951 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.495 -7.779 13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.784 -7.947 15.231 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.436 -6.873 15.548 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.548 -6.066 10.709 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.091 -6.275 9.340 1.00 0.00 C ATOM 1272 C ASN A 81 -4.874 -5.406 9.034 1.00 0.00 C ATOM 1273 O ASN A 81 -3.782 -5.917 8.783 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.216 -5.961 8.351 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.388 -6.914 8.488 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.359 -7.838 9.301 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.426 -6.694 7.689 1.00 0.00 N ATOM 0 H ASN A 81 -7.560 -6.107 10.827 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.805 -7.321 9.235 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.561 -4.939 8.510 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.827 -6.011 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.243 -7.303 7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.406 -5.916 7.030 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.071 -4.093 9.058 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.989 -3.154 8.785 1.00 0.00 C ATOM 1286 C ILE A 82 -2.837 -3.343 9.766 1.00 0.00 C ATOM 1287 O ILE A 82 -1.668 -3.288 9.385 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.478 -1.695 8.860 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.599 -1.458 7.846 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.322 -0.737 8.614 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.561 -0.364 8.253 1.00 0.00 C ATOM 0 H ILE A 82 -5.969 -3.655 9.263 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.639 -3.360 7.773 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.872 -1.509 9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.158 -1.203 6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.154 -2.386 7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.682 0.290 8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.553 -0.893 9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.901 -0.921 7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.329 -0.251 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.030 -0.626 9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.018 0.575 8.364 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.175 -3.567 11.031 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.169 -3.767 12.068 1.00 0.00 C ATOM 1305 C ASP A 83 -1.182 -4.858 11.664 1.00 0.00 C ATOM 1306 O ASP A 83 0.028 -4.636 11.640 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.838 -4.133 13.394 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.046 -3.652 14.594 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.286 -2.672 14.448 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -2.186 -4.255 15.678 1.00 0.00 O ATOM 0 H ASP A 83 -4.138 -3.615 11.363 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.620 -2.833 12.192 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.838 -3.700 13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.957 -5.215 13.451 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.708 -6.037 11.347 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.874 -7.162 10.943 1.00 0.00 C ATOM 1317 C ALA A 84 0.148 -6.738 9.894 1.00 0.00 C ATOM 1318 O ALA A 84 1.312 -7.136 9.952 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.739 -8.296 10.413 1.00 0.00 C ATOM 0 H ALA A 84 -2.708 -6.237 11.362 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.331 -7.514 11.820 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.103 -9.130 10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.426 -8.624 11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.308 -7.947 9.551 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.294 -5.931 8.937 1.00 0.00 N ATOM 1326 CA CYS A 85 0.583 -5.454 7.873 1.00 0.00 C ATOM 1327 C CYS A 85 1.706 -4.592 8.439 1.00 0.00 C ATOM 1328 O CYS A 85 2.879 -4.791 8.119 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.217 -4.658 6.842 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.606 -5.566 6.124 1.00 0.00 S ATOM 0 H CYS A 85 -1.254 -5.593 8.875 1.00 0.00 H new ATOM 0 HA CYS A 85 1.027 -6.322 7.386 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.595 -3.750 7.313 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.453 -4.346 6.040 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.510 -5.769 7.036 1.00 0.00 H new ATOM 1336 N LEU A 86 1.340 -3.632 9.282 1.00 0.00 N ATOM 1337 CA LEU A 86 2.317 -2.737 9.893 1.00 0.00 C ATOM 1338 C LEU A 86 3.400 -3.527 10.620 1.00 0.00 C ATOM 1339 O LEU A 86 4.591 -3.275 10.442 1.00 0.00 O ATOM 1340 CB LEU A 86 1.624 -1.783 10.868 1.00 0.00 C ATOM 1341 CG LEU A 86 0.510 -0.916 10.281 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.236 -0.185 11.386 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.079 0.074 9.274 1.00 0.00 C ATOM 0 H LEU A 86 0.374 -3.454 9.558 1.00 0.00 H new ATOM 0 HA LEU A 86 2.788 -2.157 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.207 -2.371 11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.379 -1.126 11.300 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.195 -1.566 9.763 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.025 0.427 10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.676 -0.911 12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.458 0.454 11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.272 0.683 8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.806 0.719 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.567 -0.470 8.465 1.00 0.00 H new ATOM 1355 N ASN A 87 2.978 -4.486 11.438 1.00 0.00 N ATOM 1356 CA ASN A 87 3.912 -5.315 12.191 1.00 0.00 C ATOM 1357 C ASN A 87 4.685 -6.245 11.261 1.00 0.00 C ATOM 1358 O ASN A 87 5.893 -6.429 11.413 1.00 0.00 O ATOM 1359 CB ASN A 87 3.164 -6.135 13.244 1.00 0.00 C ATOM 1360 CG ASN A 87 2.548 -5.265 14.323 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.232 -4.824 15.246 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.248 -5.016 14.211 1.00 0.00 N ATOM 0 H ASN A 87 1.995 -4.708 11.596 1.00 0.00 H new ATOM 0 HA ASN A 87 4.623 -4.656 12.690 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.380 -6.717 12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.851 -6.846 13.703 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.778 -4.438 14.907 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.720 -5.403 13.429 1.00 0.00 H new ATOM 1369 N PHE A 88 3.981 -6.829 10.297 1.00 0.00 N ATOM 1370 CA PHE A 88 4.600 -7.740 9.342 1.00 0.00 C ATOM 1371 C PHE A 88 5.724 -7.046 8.578 1.00 0.00 C ATOM 1372 O PHE A 88 6.826 -7.581 8.450 1.00 0.00 O ATOM 1373 CB PHE A 88 3.554 -8.273 8.361 1.00 0.00 C ATOM 1374 CG PHE A 88 4.143 -8.790 7.079 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.509 -7.917 6.068 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.329 -10.149 6.886 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.052 -8.390 4.888 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.871 -10.628 5.708 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.232 -9.747 4.707 1.00 0.00 C ATOM 0 H PHE A 88 2.981 -6.687 10.157 1.00 0.00 H new ATOM 0 HA PHE A 88 5.025 -8.576 9.898 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.991 -9.073 8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.845 -7.478 8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.369 -6.855 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.047 -10.842 7.665 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.335 -7.699 4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.012 -11.690 5.570 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.654 -10.119 3.785 1.00 0.00 H new ATOM 1389 N LEU A 89 5.437 -5.852 8.071 1.00 0.00 N ATOM 1390 CA LEU A 89 6.422 -5.083 7.319 1.00 0.00 C ATOM 1391 C LEU A 89 7.656 -4.799 8.169 1.00 0.00 C ATOM 1392 O LEU A 89 8.786 -5.028 7.738 1.00 0.00 O ATOM 1393 CB LEU A 89 5.810 -3.769 6.833 1.00 0.00 C ATOM 1394 CG LEU A 89 4.694 -3.892 5.795 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.088 -2.528 5.498 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.220 -4.532 4.519 1.00 0.00 C ATOM 0 H LEU A 89 4.530 -5.395 8.167 1.00 0.00 H new ATOM 0 HA LEU A 89 6.727 -5.675 6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.418 -3.233 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.606 -3.155 6.411 1.00 0.00 H new ATOM 0 HG LEU A 89 3.913 -4.533 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.296 -2.635 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.674 -2.107 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.860 -1.864 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.412 -4.611 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.020 -3.917 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.606 -5.527 4.743 1.00 0.00 H new ATOM 1408 N ALA A 90 7.431 -4.300 9.381 1.00 0.00 N ATOM 1409 CA ALA A 90 8.524 -3.989 10.293 1.00 0.00 C ATOM 1410 C ALA A 90 9.523 -5.139 10.366 1.00 0.00 C ATOM 1411 O ALA A 90 10.734 -4.921 10.376 1.00 0.00 O ATOM 1412 CB ALA A 90 7.981 -3.670 11.678 1.00 0.00 C ATOM 0 H ALA A 90 6.502 -4.103 9.753 1.00 0.00 H new ATOM 0 HA ALA A 90 9.046 -3.113 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.808 -3.440 12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.313 -2.811 11.618 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.432 -4.531 12.061 1.00 0.00 H new ATOM 1418 N ALA A 91 9.007 -6.362 10.419 1.00 0.00 N ATOM 1419 CA ALA A 91 9.854 -7.546 10.490 1.00 0.00 C ATOM 1420 C ALA A 91 10.704 -7.690 9.232 1.00 0.00 C ATOM 1421 O ALA A 91 11.855 -8.121 9.294 1.00 0.00 O ATOM 1422 CB ALA A 91 9.005 -8.791 10.700 1.00 0.00 C ATOM 0 H ALA A 91 8.006 -6.559 10.414 1.00 0.00 H new ATOM 0 HA ALA A 91 10.526 -7.430 11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.651 -9.668 10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.446 -8.697 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.309 -8.901 9.868 1.00 0.00 H new ATOM 1428 N LYS A 92 10.129 -7.326 8.091 1.00 0.00 N ATOM 1429 CA LYS A 92 10.833 -7.413 6.817 1.00 0.00 C ATOM 1430 C LYS A 92 11.949 -6.376 6.740 1.00 0.00 C ATOM 1431 O LYS A 92 12.953 -6.579 6.059 1.00 0.00 O ATOM 1432 CB LYS A 92 9.856 -7.214 5.656 1.00 0.00 C ATOM 1433 CG LYS A 92 8.909 -8.383 5.450 1.00 0.00 C ATOM 1434 CD LYS A 92 9.588 -9.529 4.720 1.00 0.00 C ATOM 1435 CE LYS A 92 8.602 -10.637 4.381 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.111 -11.518 3.294 1.00 0.00 N ATOM 0 H LYS A 92 9.177 -6.968 8.022 1.00 0.00 H new ATOM 0 HA LYS A 92 11.278 -8.405 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.272 -6.311 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.423 -7.051 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.544 -8.731 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.040 -8.052 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.048 -9.157 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.390 -9.931 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.407 -11.235 5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.652 -10.197 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.575 -11.337 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.118 -11.319 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.996 -12.514 3.571 1.00 0.00 H new ATOM 1450 N GLY A 93 11.766 -5.263 7.444 1.00 0.00 N ATOM 1451 CA GLY A 93 12.766 -4.211 7.443 1.00 0.00 C ATOM 1452 C GLY A 93 12.205 -2.878 6.992 1.00 0.00 C ATOM 1453 O GLY A 93 12.863 -2.134 6.264 1.00 0.00 O ATOM 0 H GLY A 93 10.943 -5.071 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.180 -4.107 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.588 -4.496 6.787 1.00 0.00 H new ATOM 1457 N ILE A 94 10.985 -2.575 7.424 1.00 0.00 N ATOM 1458 CA ILE A 94 10.335 -1.322 7.060 1.00 0.00 C ATOM 1459 C ILE A 94 9.961 -0.516 8.299 1.00 0.00 C ATOM 1460 O ILE A 94 9.287 -1.018 9.197 1.00 0.00 O ATOM 1461 CB ILE A 94 9.069 -1.568 6.219 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.428 -2.277 4.911 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.356 -0.254 5.937 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.237 -2.896 4.213 1.00 0.00 C ATOM 0 H ILE A 94 10.427 -3.180 8.026 1.00 0.00 H new ATOM 0 HA ILE A 94 11.052 -0.756 6.465 1.00 0.00 H new ATOM 0 HB ILE A 94 8.395 -2.210 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 94 9.902 -1.563 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.162 -3.055 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.463 -0.445 5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.071 0.215 6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.023 0.411 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.566 -3.381 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.775 -3.635 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.511 -2.119 3.974 1.00 0.00 H new ATOM 1526 N GLY A 98 5.312 5.480 13.863 1.00 0.00 N ATOM 1527 CA GLY A 98 4.763 6.772 13.493 1.00 0.00 C ATOM 1528 C GLY A 98 3.389 6.659 12.862 1.00 0.00 C ATOM 1529 O GLY A 98 2.517 7.494 13.102 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.702 7.404 14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.440 7.265 12.796 1.00 0.00 H new ATOM 1533 N LEU A 99 3.196 5.624 12.051 1.00 0.00 N ATOM 1534 CA LEU A 99 1.919 5.405 11.381 1.00 0.00 C ATOM 1535 C LEU A 99 0.806 5.161 12.396 1.00 0.00 C ATOM 1536 O LEU A 99 1.053 5.106 13.601 1.00 0.00 O ATOM 1537 CB LEU A 99 2.020 4.217 10.423 1.00 0.00 C ATOM 1538 CG LEU A 99 3.006 4.371 9.265 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.158 3.056 8.515 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.553 5.476 8.322 1.00 0.00 C ATOM 0 H LEU A 99 3.907 4.924 11.842 1.00 0.00 H new ATOM 0 HA LEU A 99 1.677 6.303 10.812 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.301 3.335 10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.030 4.025 10.008 1.00 0.00 H new ATOM 0 HG LEU A 99 3.978 4.646 9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.864 3.185 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.529 2.290 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.190 2.750 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.267 5.571 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.570 5.231 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.497 6.419 8.866 1.00 0.00 H new ATOM 1552 N SER A 100 -0.418 5.013 11.901 1.00 0.00 N ATOM 1553 CA SER A 100 -1.569 4.776 12.765 1.00 0.00 C ATOM 1554 C SER A 100 -2.635 3.962 12.038 1.00 0.00 C ATOM 1555 O SER A 100 -3.329 4.473 11.159 1.00 0.00 O ATOM 1556 CB SER A 100 -2.160 6.105 13.238 1.00 0.00 C ATOM 1557 OG SER A 100 -1.367 6.679 14.263 1.00 0.00 O ATOM 0 H SER A 100 -0.639 5.053 10.906 1.00 0.00 H new ATOM 0 HA SER A 100 -1.231 4.208 13.632 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.229 6.796 12.398 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.174 5.946 13.604 1.00 0.00 H new ATOM 0 HG SER A 100 -0.501 6.221 14.302 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.760 2.693 12.412 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.742 1.809 11.798 1.00 0.00 C ATOM 1565 C ALA A 101 -5.103 2.489 11.691 1.00 0.00 C ATOM 1566 O ALA A 101 -5.778 2.389 10.667 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.857 0.516 12.592 1.00 0.00 C ATOM 0 H ALA A 101 -2.193 2.254 13.138 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.402 1.575 10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.594 -0.135 12.122 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.890 0.014 12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.170 0.742 13.611 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.499 3.181 12.755 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.780 3.876 12.780 1.00 0.00 C ATOM 1575 C GLU A 102 -6.853 4.922 11.671 1.00 0.00 C ATOM 1576 O GLU A 102 -7.771 4.909 10.852 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.997 4.543 14.140 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.436 4.966 14.388 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.661 5.467 15.801 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -8.303 4.743 16.752 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.196 6.585 15.954 1.00 0.00 O ATOM 0 H GLU A 102 -4.951 3.275 13.610 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.567 3.140 12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.689 3.854 14.926 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.352 5.419 14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.707 5.750 13.681 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.097 4.121 14.196 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.879 5.826 11.654 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.834 6.880 10.647 1.00 0.00 C ATOM 1590 C GLU A 103 -5.979 6.298 9.244 1.00 0.00 C ATOM 1591 O GLU A 103 -6.669 6.863 8.395 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.523 7.662 10.753 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.404 8.479 12.029 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.281 9.716 12.013 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.460 9.612 12.413 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.790 10.788 11.600 1.00 0.00 O ATOM 0 H GLU A 103 -5.111 5.850 12.325 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.668 7.557 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.688 6.964 10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.437 8.329 9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.676 7.856 12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.365 8.777 12.170 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.323 5.167 9.008 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.380 4.508 7.709 1.00 0.00 C ATOM 1605 C ILE A 104 -6.786 3.997 7.412 1.00 0.00 C ATOM 1606 O ILE A 104 -7.273 4.110 6.287 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.391 3.330 7.631 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.954 3.831 7.793 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.554 2.587 6.314 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.926 2.721 7.816 1.00 0.00 C ATOM 0 H ILE A 104 -4.746 4.688 9.699 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.103 5.255 6.965 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.608 2.638 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.721 4.514 6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.879 4.404 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.848 1.757 6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.571 2.202 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.360 3.268 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.931 3.149 7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.133 2.050 8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.973 2.162 6.881 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.432 3.436 8.429 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.783 2.909 8.277 1.00 0.00 C ATOM 1624 C ARG A 105 -9.760 4.017 7.897 1.00 0.00 C ATOM 1625 O ARG A 105 -10.689 3.799 7.120 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.238 2.235 9.573 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.716 1.881 9.588 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.159 1.396 10.960 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.563 1.699 11.221 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.039 2.934 11.336 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.228 3.975 11.212 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.330 3.129 11.574 1.00 0.00 N ATOM 0 H ARG A 105 -7.042 3.335 9.366 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.770 2.170 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.654 1.327 9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.023 2.897 10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.303 2.754 9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.913 1.107 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.001 0.320 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.539 1.861 11.726 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.214 0.920 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.235 3.829 11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.596 4.922 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.957 2.330 11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.695 4.077 11.662 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.544 5.206 8.451 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.406 6.348 8.170 1.00 0.00 C ATOM 1648 C ASN A 106 -10.201 6.847 6.744 1.00 0.00 C ATOM 1649 O ASN A 106 -11.100 7.436 6.145 1.00 0.00 O ATOM 1650 CB ASN A 106 -10.129 7.478 9.163 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.533 7.116 10.579 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.659 6.684 10.824 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.613 7.293 11.521 1.00 0.00 N ATOM 0 H ASN A 106 -8.780 5.403 9.097 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.442 6.025 8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.067 7.724 9.143 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.669 8.372 8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.828 7.068 12.492 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.692 7.654 11.273 1.00 0.00 H new ATOM 1660 N GLY A 107 -9.010 6.607 6.204 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.708 7.038 4.851 1.00 0.00 C ATOM 1662 C GLY A 107 -7.958 8.355 4.817 1.00 0.00 C ATOM 1663 O GLY A 107 -8.148 9.161 3.906 1.00 0.00 O ATOM 0 H GLY A 107 -8.249 6.122 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.114 6.272 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.636 7.137 4.289 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.106 8.576 5.812 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.327 9.806 5.893 1.00 0.00 C ATOM 1669 C ASN A 108 -5.134 9.758 4.943 1.00 0.00 C ATOM 1670 O ASN A 108 -4.168 9.031 5.178 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.843 10.035 7.326 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.490 11.485 7.593 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -6.132 12.398 7.074 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.463 11.704 8.406 1.00 0.00 N ATOM 0 H ASN A 108 -6.937 7.919 6.574 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.971 10.634 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.619 9.719 8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.970 9.411 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.178 12.659 8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.959 10.917 8.814 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.207 10.538 3.870 1.00 0.00 N ATOM 1682 CA LEU A 109 -4.133 10.585 2.884 1.00 0.00 C ATOM 1683 C LEU A 109 -2.768 10.571 3.564 1.00 0.00 C ATOM 1684 O LEU A 109 -1.911 9.748 3.243 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.269 11.836 2.013 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.712 11.728 0.593 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.552 10.773 -0.239 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.654 13.101 -0.062 1.00 0.00 C ATOM 0 H LEU A 109 -5.998 11.146 3.661 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.213 9.700 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.325 12.097 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.767 12.662 2.517 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.698 11.331 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.140 10.709 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.542 9.785 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.577 11.139 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.255 13.006 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.657 13.526 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.008 13.756 0.523 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.574 11.486 4.508 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.315 11.578 5.238 1.00 0.00 C ATOM 1702 C LYS A 110 -0.867 10.204 5.724 1.00 0.00 C ATOM 1703 O LYS A 110 0.312 9.860 5.643 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.459 12.530 6.427 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.125 13.974 6.094 1.00 0.00 C ATOM 1706 CD LYS A 110 0.367 14.240 6.200 1.00 0.00 C ATOM 1707 CE LYS A 110 0.697 15.694 5.902 1.00 0.00 C ATOM 1708 NZ LYS A 110 0.900 15.930 4.446 1.00 0.00 N ATOM 0 H LYS A 110 -3.273 12.175 4.786 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.557 11.968 4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.482 12.479 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.808 12.192 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.466 14.204 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.663 14.638 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.713 13.985 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.903 13.594 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.110 16.331 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.597 15.981 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.988 16.951 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.767 15.448 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.087 15.556 3.917 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.815 9.421 6.229 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.518 8.084 6.725 1.00 0.00 C ATOM 1724 C ALA A 111 -1.181 7.135 5.579 1.00 0.00 C ATOM 1725 O ALA A 111 -0.075 6.599 5.510 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.692 7.546 7.530 1.00 0.00 C ATOM 0 H ALA A 111 -2.796 9.691 6.305 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.646 8.151 7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.456 6.546 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.885 8.205 8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.578 7.501 6.896 1.00 0.00 H new ATOM 1732 N ILE A 112 -2.141 6.933 4.683 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.945 6.050 3.541 1.00 0.00 C ATOM 1734 C ILE A 112 -0.633 6.356 2.827 1.00 0.00 C ATOM 1735 O ILE A 112 0.271 5.522 2.781 1.00 0.00 O ATOM 1736 CB ILE A 112 -3.104 6.167 2.533 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.427 5.776 3.196 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.837 5.295 1.315 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -5.142 6.938 3.849 1.00 0.00 C ATOM 0 H ILE A 112 -3.062 7.369 4.726 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.915 5.033 3.931 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.177 7.204 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.082 5.331 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.235 5.010 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.665 5.388 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.914 5.616 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.741 4.255 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -6.071 6.587 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.505 7.369 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.365 7.696 3.098 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.535 7.560 2.273 1.00 0.00 N ATOM 1752 CA LEU A 113 0.668 7.979 1.563 1.00 0.00 C ATOM 1753 C LEU A 113 1.923 7.524 2.301 1.00 0.00 C ATOM 1754 O LEU A 113 2.886 7.068 1.686 1.00 0.00 O ATOM 1755 CB LEU A 113 0.683 9.500 1.398 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.282 10.071 0.359 1.00 0.00 C ATOM 1757 CD1 LEU A 113 -0.326 11.589 0.449 1.00 0.00 C ATOM 1758 CD2 LEU A 113 0.119 9.631 -1.042 1.00 0.00 C ATOM 0 H LEU A 113 -1.274 8.263 2.302 1.00 0.00 H new ATOM 0 HA LEU A 113 0.659 7.513 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.456 9.953 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.695 9.807 1.132 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.280 9.685 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.018 11.978 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.661 11.885 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.670 11.993 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.579 10.047 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.125 9.987 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.099 8.543 -1.101 1.00 0.00 H new ATOM 1770 N GLY A 114 1.903 7.649 3.625 1.00 0.00 N ATOM 1771 CA GLY A 114 3.044 7.245 4.425 1.00 0.00 C ATOM 1772 C GLY A 114 3.330 5.760 4.319 1.00 0.00 C ATOM 1773 O GLY A 114 4.458 5.356 4.035 1.00 0.00 O ATOM 0 H GLY A 114 1.117 8.023 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.923 7.805 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.862 7.503 5.468 1.00 0.00 H new ATOM 1777 N LEU A 115 2.307 4.944 4.548 1.00 0.00 N ATOM 1778 CA LEU A 115 2.453 3.495 4.478 1.00 0.00 C ATOM 1779 C LEU A 115 3.118 3.077 3.170 1.00 0.00 C ATOM 1780 O LEU A 115 4.102 2.338 3.169 1.00 0.00 O ATOM 1781 CB LEU A 115 1.088 2.817 4.608 1.00 0.00 C ATOM 1782 CG LEU A 115 0.942 1.463 3.914 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.054 0.537 4.731 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.381 1.641 2.510 1.00 0.00 C ATOM 0 H LEU A 115 1.367 5.262 4.784 1.00 0.00 H new ATOM 0 HA LEU A 115 3.089 3.179 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.870 2.685 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.330 3.491 4.208 1.00 0.00 H new ATOM 0 HG LEU A 115 1.930 1.009 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.038 -0.422 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.496 0.384 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.933 0.985 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.284 0.667 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.598 2.117 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.055 2.267 1.926 1.00 0.00 H new ATOM 1796 N PHE A 116 2.574 3.558 2.056 1.00 0.00 N ATOM 1797 CA PHE A 116 3.115 3.236 0.741 1.00 0.00 C ATOM 1798 C PHE A 116 4.429 3.973 0.497 1.00 0.00 C ATOM 1799 O PHE A 116 5.319 3.469 -0.188 1.00 0.00 O ATOM 1800 CB PHE A 116 2.105 3.596 -0.351 1.00 0.00 C ATOM 1801 CG PHE A 116 1.185 2.466 -0.713 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.594 1.477 -1.593 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.089 2.392 -0.174 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.750 0.435 -1.928 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.937 1.352 -0.505 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.518 0.373 -1.384 1.00 0.00 C ATOM 0 H PHE A 116 1.759 4.172 2.038 1.00 0.00 H new ATOM 0 HA PHE A 116 3.309 2.164 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.510 4.446 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.645 3.915 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.584 1.521 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.423 3.156 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.082 -0.330 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.927 1.305 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.180 -0.439 -1.645 1.00 0.00 H new ATOM 1816 N PHE A 117 4.542 5.170 1.063 1.00 0.00 N ATOM 1817 CA PHE A 117 5.746 5.978 0.907 1.00 0.00 C ATOM 1818 C PHE A 117 6.962 5.259 1.483 1.00 0.00 C ATOM 1819 O PHE A 117 8.075 5.392 0.972 1.00 0.00 O ATOM 1820 CB PHE A 117 5.568 7.334 1.594 1.00 0.00 C ATOM 1821 CG PHE A 117 6.851 8.099 1.751 1.00 0.00 C ATOM 1822 CD1 PHE A 117 7.785 7.722 2.703 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.122 9.195 0.949 1.00 0.00 C ATOM 1824 CE1 PHE A 117 8.967 8.423 2.850 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.303 9.900 1.092 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.226 9.515 2.044 1.00 0.00 C ATOM 0 H PHE A 117 3.815 5.602 1.633 1.00 0.00 H new ATOM 0 HA PHE A 117 5.911 6.137 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 117 4.864 7.935 1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.124 7.179 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.587 6.871 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.403 9.502 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 117 9.688 8.118 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.503 10.752 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.148 10.066 2.158 1.00 0.00 H new ATOM 1836 N SER A 118 6.742 4.498 2.550 1.00 0.00 N ATOM 1837 CA SER A 118 7.820 3.762 3.200 1.00 0.00 C ATOM 1838 C SER A 118 7.895 2.332 2.672 1.00 0.00 C ATOM 1839 O SER A 118 8.961 1.860 2.273 1.00 0.00 O ATOM 1840 CB SER A 118 7.615 3.747 4.716 1.00 0.00 C ATOM 1841 OG SER A 118 7.921 5.009 5.283 1.00 0.00 O ATOM 0 H SER A 118 5.827 4.375 2.983 1.00 0.00 H new ATOM 0 HA SER A 118 8.759 4.266 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 118 6.582 3.483 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.247 2.980 5.164 1.00 0.00 H new ATOM 0 HG SER A 118 7.781 4.975 6.252 1.00 0.00 H new ATOM 1847 N LEU A 119 6.757 1.647 2.673 1.00 0.00 N ATOM 1848 CA LEU A 119 6.692 0.271 2.194 1.00 0.00 C ATOM 1849 C LEU A 119 7.526 0.094 0.930 1.00 0.00 C ATOM 1850 O LEU A 119 8.447 -0.723 0.890 1.00 0.00 O ATOM 1851 CB LEU A 119 5.240 -0.127 1.921 1.00 0.00 C ATOM 1852 CG LEU A 119 5.036 -1.335 1.006 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.470 -2.614 1.706 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.583 -1.432 0.567 1.00 0.00 C ATOM 0 H LEU A 119 5.867 2.022 3.000 1.00 0.00 H new ATOM 0 HA LEU A 119 7.100 -0.377 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.755 -0.333 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.727 0.728 1.481 1.00 0.00 H new ATOM 0 HG LEU A 119 5.655 -1.203 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.318 -3.463 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.525 -2.544 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.878 -2.752 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.456 -2.297 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.945 -1.541 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.305 -0.528 0.026 1.00 0.00 H new ATOM 1866 N SER A 120 7.200 0.866 -0.102 1.00 0.00 N ATOM 1867 CA SER A 120 7.918 0.793 -1.369 1.00 0.00 C ATOM 1868 C SER A 120 9.418 0.638 -1.135 1.00 0.00 C ATOM 1869 O SER A 120 10.064 -0.222 -1.733 1.00 0.00 O ATOM 1870 CB SER A 120 7.648 2.046 -2.204 1.00 0.00 C ATOM 1871 OG SER A 120 8.371 2.012 -3.423 1.00 0.00 O ATOM 0 H SER A 120 6.443 1.549 -0.085 1.00 0.00 H new ATOM 0 HA SER A 120 7.560 -0.082 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.581 2.125 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.928 2.933 -1.636 1.00 0.00 H new ATOM 0 HG SER A 120 8.180 2.823 -3.939 1.00 0.00 H new ATOM 1877 N ARG A 121 9.964 1.476 -0.260 1.00 0.00 N ATOM 1878 CA ARG A 121 11.387 1.434 0.053 1.00 0.00 C ATOM 1879 C ARG A 121 11.876 -0.007 0.166 1.00 0.00 C ATOM 1880 O ARG A 121 12.913 -0.367 -0.391 1.00 0.00 O ATOM 1881 CB ARG A 121 11.667 2.182 1.357 1.00 0.00 C ATOM 1882 CG ARG A 121 11.231 3.638 1.330 1.00 0.00 C ATOM 1883 CD ARG A 121 11.757 4.400 2.536 1.00 0.00 C ATOM 1884 NE ARG A 121 13.127 4.863 2.336 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.968 5.122 3.331 1.00 0.00 C ATOM 1886 NH1 ARG A 121 13.581 4.962 4.589 1.00 0.00 N ATOM 1887 NH2 ARG A 121 15.200 5.540 3.068 1.00 0.00 N ATOM 0 H ARG A 121 9.442 2.192 0.245 1.00 0.00 H new ATOM 0 HA ARG A 121 11.926 1.921 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.156 1.674 2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.735 2.135 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.590 4.110 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.143 3.693 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.111 5.255 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.716 3.758 3.416 1.00 0.00 H new ATOM 0 HE ARG A 121 13.456 4.995 1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.635 4.639 4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 121 14.229 5.162 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.501 5.663 2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.845 5.739 3.833 1.00 0.00 H new ATOM 1901 N TYR A 122 11.122 -0.827 0.891 1.00 0.00 N ATOM 1902 CA TYR A 122 11.480 -2.228 1.080 1.00 0.00 C ATOM 1903 C TYR A 122 11.944 -2.853 -0.232 1.00 0.00 C ATOM 1904 O TYR A 122 12.985 -3.507 -0.289 1.00 0.00 O ATOM 1905 CB TYR A 122 10.290 -3.009 1.638 1.00 0.00 C ATOM 1906 CG TYR A 122 10.406 -4.505 1.451 1.00 0.00 C ATOM 1907 CD1 TYR A 122 11.144 -5.281 2.337 1.00 0.00 C ATOM 1908 CD2 TYR A 122 9.778 -5.144 0.389 1.00 0.00 C ATOM 1909 CE1 TYR A 122 11.253 -6.647 2.170 1.00 0.00 C ATOM 1910 CE2 TYR A 122 9.881 -6.510 0.214 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.620 -7.258 1.107 1.00 0.00 C ATOM 1912 OH TYR A 122 10.726 -8.619 0.938 1.00 0.00 O ATOM 0 H TYR A 122 10.260 -0.545 1.357 1.00 0.00 H new ATOM 0 HA TYR A 122 12.302 -2.274 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.189 -2.791 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.378 -2.660 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.641 -4.807 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.199 -4.562 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 122 11.831 -7.235 2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.386 -6.990 -0.617 1.00 0.00 H new ATOM 0 HH TYR A 122 11.068 -9.025 1.761 1.00 0.00 H new ATOM 1922 N LYS A 123 11.162 -2.647 -1.287 1.00 0.00 N ATOM 1923 CA LYS A 123 11.491 -3.188 -2.601 1.00 0.00 C ATOM 1924 C LYS A 123 12.463 -2.273 -3.338 1.00 0.00 C ATOM 1925 O LYS A 123 13.515 -2.715 -3.800 1.00 0.00 O ATOM 1926 CB LYS A 123 10.219 -3.373 -3.431 1.00 0.00 C ATOM 1927 CG LYS A 123 10.418 -4.238 -4.664 1.00 0.00 C ATOM 1928 CD LYS A 123 10.542 -5.708 -4.299 1.00 0.00 C ATOM 1929 CE LYS A 123 10.019 -6.604 -5.411 1.00 0.00 C ATOM 1930 NZ LYS A 123 11.030 -6.799 -6.488 1.00 0.00 N ATOM 0 H LYS A 123 10.296 -2.109 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 123 11.969 -4.157 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.448 -3.821 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.851 -2.395 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.578 -4.101 -5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.315 -3.917 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.586 -5.947 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.988 -5.904 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.739 -7.572 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.116 -6.166 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.635 -7.415 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.279 -5.878 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.883 -7.240 -6.088 1.00 0.00 H new ATOM 1944 N GLN A 124 12.105 -0.997 -3.442 1.00 0.00 N ATOM 1945 CA GLN A 124 12.948 -0.021 -4.123 1.00 0.00 C ATOM 1946 C GLN A 124 14.425 -0.330 -3.903 1.00 0.00 C ATOM 1947 O GLN A 124 15.220 -0.306 -4.842 1.00 0.00 O ATOM 1948 CB GLN A 124 12.631 1.391 -3.628 1.00 0.00 C ATOM 1949 CG GLN A 124 11.266 1.897 -4.065 1.00 0.00 C ATOM 1950 CD GLN A 124 11.056 1.791 -5.562 1.00 0.00 C ATOM 1951 OE1 GLN A 124 10.435 0.845 -6.048 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.574 2.763 -6.303 1.00 0.00 N ATOM 0 H GLN A 124 11.238 -0.615 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 124 12.739 -0.080 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.683 1.406 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.397 2.075 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 124 10.491 1.328 -3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 124 11.153 2.937 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.081 3.528 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.465 2.745 -7.317 1.00 0.00 H new