USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 LYS NZ :NH3+ 175:sc= -1.52 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HE2:sc= -1.7! C(o=-3.2!,f=-7.3!) USER MOD Single : A 11 SER OG : rot 32:sc= 0.00247 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 80:sc= -1.41 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0555 USER MOD Single : A 24 SER OG : rot -126:sc= 0.587 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0826 K(o=-0.083,f=-8.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -3.59 K(o=-3.6,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= 0.24 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.5!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -83:sc= 0.484 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot -22:sc= 0.904 USER MOD Single : A 96 SER OG : rot -136:sc= -1.25 USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= -0.289 (180deg=-0.767) USER MOD Single : A 104 HIS : no HD1:sc= -0.556 K(o=-0.56,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -10.824 7.430 -7.707 1.00 0.00 N ATOM 183 CA SER A 11 -10.863 5.970 -7.752 1.00 0.00 C ATOM 184 C SER A 11 -12.035 5.440 -6.924 1.00 0.00 C ATOM 185 O SER A 11 -11.848 4.826 -5.873 1.00 0.00 O ATOM 186 CB SER A 11 -9.555 5.381 -7.218 1.00 0.00 C ATOM 187 OG SER A 11 -8.515 5.623 -8.157 1.00 0.00 O ATOM 0 HA SER A 11 -10.993 5.668 -8.791 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.305 5.831 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.667 4.310 -7.049 1.00 0.00 H new ATOM 0 HG SER A 11 -8.685 6.468 -8.623 1.00 0.00 H new ATOM 193 N ASP A 12 -13.248 5.692 -7.414 1.00 0.00 N ATOM 194 CA ASP A 12 -14.458 5.245 -6.723 1.00 0.00 C ATOM 195 C ASP A 12 -14.476 3.724 -6.587 1.00 0.00 C ATOM 196 O ASP A 12 -15.064 3.021 -7.408 1.00 0.00 O ATOM 197 CB ASP A 12 -15.706 5.690 -7.488 1.00 0.00 C ATOM 198 CG ASP A 12 -15.607 5.232 -8.939 1.00 0.00 C ATOM 199 OD1 ASP A 12 -14.679 5.652 -9.610 1.00 0.00 O ATOM 200 OD2 ASP A 12 -16.460 4.467 -9.358 1.00 0.00 O ATOM 0 H ASP A 12 -13.419 6.200 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.457 5.694 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.598 5.270 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.804 6.775 -7.444 1.00 0.00 H new ATOM 205 N ALA A 13 -13.824 3.224 -5.537 1.00 0.00 N ATOM 206 CA ALA A 13 -13.764 1.781 -5.288 1.00 0.00 C ATOM 207 C ALA A 13 -12.806 1.489 -4.140 1.00 0.00 C ATOM 208 O ALA A 13 -13.050 0.609 -3.314 1.00 0.00 O ATOM 209 CB ALA A 13 -13.285 1.022 -6.532 1.00 0.00 C ATOM 0 H ALA A 13 -13.332 3.792 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.770 1.448 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.251 -0.046 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.974 1.204 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.289 1.368 -6.808 1.00 0.00 H new ATOM 215 N CYS A 14 -11.708 2.241 -4.099 1.00 0.00 N ATOM 216 CA CYS A 14 -10.711 2.059 -3.047 1.00 0.00 C ATOM 217 C CYS A 14 -11.173 2.681 -1.725 1.00 0.00 C ATOM 218 O CYS A 14 -10.591 2.419 -0.674 1.00 0.00 O ATOM 219 CB CYS A 14 -9.377 2.691 -3.460 1.00 0.00 C ATOM 220 SG CYS A 14 -8.310 1.428 -4.200 1.00 0.00 S ATOM 0 H CYS A 14 -11.488 2.974 -4.774 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.582 0.986 -2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.550 3.498 -4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.887 3.132 -2.592 1.00 0.00 H new ATOM 225 N LYS A 15 -12.223 3.504 -1.777 1.00 0.00 N ATOM 226 CA LYS A 15 -12.737 4.139 -0.567 1.00 0.00 C ATOM 227 C LYS A 15 -13.525 3.137 0.281 1.00 0.00 C ATOM 228 O LYS A 15 -13.699 3.329 1.485 1.00 0.00 O ATOM 229 CB LYS A 15 -13.648 5.313 -0.925 1.00 0.00 C ATOM 230 CG LYS A 15 -13.641 6.333 0.215 1.00 0.00 C ATOM 231 CD LYS A 15 -14.981 7.070 0.250 1.00 0.00 C ATOM 232 CE LYS A 15 -14.760 8.513 0.707 1.00 0.00 C ATOM 233 NZ LYS A 15 -16.049 9.255 0.805 1.00 0.00 N ATOM 0 H LYS A 15 -12.726 3.742 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.883 4.501 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.308 5.782 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.663 4.958 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.466 5.830 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.827 7.044 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.441 7.057 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.668 6.564 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.261 8.517 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.098 9.021 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.865 10.230 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.512 9.271 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.670 8.783 1.492 1.00 0.00 H new ATOM 247 N ALA A 16 -14.000 2.066 -0.356 1.00 0.00 N ATOM 248 CA ALA A 16 -14.764 1.042 0.353 1.00 0.00 C ATOM 249 C ALA A 16 -13.952 0.432 1.500 1.00 0.00 C ATOM 250 O ALA A 16 -14.516 -0.173 2.413 1.00 0.00 O ATOM 251 CB ALA A 16 -15.174 -0.073 -0.612 1.00 0.00 C ATOM 0 H ALA A 16 -13.870 1.887 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.650 1.523 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.743 -0.830 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.790 0.344 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.282 -0.528 -1.043 1.00 0.00 H new ATOM 257 N GLU A 17 -12.628 0.586 1.451 1.00 0.00 N ATOM 258 CA GLU A 17 -11.770 0.036 2.500 1.00 0.00 C ATOM 259 C GLU A 17 -10.458 0.812 2.598 1.00 0.00 C ATOM 260 O GLU A 17 -9.985 1.115 3.694 1.00 0.00 O ATOM 261 CB GLU A 17 -11.456 -1.437 2.215 1.00 0.00 C ATOM 262 CG GLU A 17 -10.696 -2.043 3.401 1.00 0.00 C ATOM 263 CD GLU A 17 -11.602 -2.069 4.627 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.647 -1.071 5.328 1.00 0.00 O ATOM 265 OE2 GLU A 17 -12.238 -3.087 4.847 1.00 0.00 O ATOM 0 H GLU A 17 -12.133 1.079 0.708 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.307 0.123 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.380 -1.989 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.860 -1.522 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.367 -3.053 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.801 -1.458 3.610 1.00 0.00 H new ATOM 272 N SER A 18 -9.867 1.123 1.449 1.00 0.00 N ATOM 273 CA SER A 18 -8.604 1.857 1.436 1.00 0.00 C ATOM 274 C SER A 18 -8.831 3.317 1.823 1.00 0.00 C ATOM 275 O SER A 18 -8.505 3.733 2.934 1.00 0.00 O ATOM 276 CB SER A 18 -7.936 1.789 0.053 1.00 0.00 C ATOM 277 OG SER A 18 -8.600 0.823 -0.753 1.00 0.00 O ATOM 0 H SER A 18 -10.234 0.884 0.528 1.00 0.00 H new ATOM 0 HA SER A 18 -7.942 1.389 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.974 2.766 -0.428 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.883 1.527 0.159 1.00 0.00 H new ATOM 0 HG SER A 18 -9.421 1.212 -1.120 1.00 0.00 H new ATOM 283 N GLY A 19 -9.392 4.097 0.895 1.00 0.00 N ATOM 284 CA GLY A 19 -9.657 5.518 1.151 1.00 0.00 C ATOM 285 C GLY A 19 -8.435 6.215 1.756 1.00 0.00 C ATOM 286 O GLY A 19 -8.561 7.177 2.513 1.00 0.00 O ATOM 0 H GLY A 19 -9.670 3.774 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.935 6.011 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.505 5.615 1.828 1.00 0.00 H new ATOM 290 N VAL A 20 -7.251 5.703 1.419 1.00 0.00 N ATOM 291 CA VAL A 20 -6.003 6.266 1.935 1.00 0.00 C ATOM 292 C VAL A 20 -5.898 7.759 1.606 1.00 0.00 C ATOM 293 O VAL A 20 -6.265 8.194 0.516 1.00 0.00 O ATOM 294 CB VAL A 20 -4.800 5.504 1.351 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.696 5.744 -0.161 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.516 5.973 2.037 1.00 0.00 C ATOM 0 H VAL A 20 -7.130 4.905 0.795 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.000 6.158 3.020 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.940 4.437 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.840 5.198 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.607 5.395 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.567 6.809 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.664 5.433 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.384 7.042 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.583 5.779 3.107 1.00 0.00 H new ATOM 306 N SER A 21 -5.402 8.534 2.568 1.00 0.00 N ATOM 307 CA SER A 21 -5.263 9.976 2.374 1.00 0.00 C ATOM 308 C SER A 21 -3.832 10.336 1.979 1.00 0.00 C ATOM 309 O SER A 21 -3.324 11.399 2.336 1.00 0.00 O ATOM 310 CB SER A 21 -5.629 10.724 3.656 1.00 0.00 C ATOM 311 OG SER A 21 -4.863 10.207 4.736 1.00 0.00 O ATOM 0 H SER A 21 -5.093 8.194 3.479 1.00 0.00 H new ATOM 0 HA SER A 21 -5.940 10.270 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.437 11.790 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.693 10.613 3.864 1.00 0.00 H new ATOM 0 HG SER A 21 -5.094 10.686 5.559 1.00 0.00 H new ATOM 317 N GLU A 22 -3.188 9.440 1.234 1.00 0.00 N ATOM 318 CA GLU A 22 -1.812 9.672 0.792 1.00 0.00 C ATOM 319 C GLU A 22 -0.889 9.922 1.986 1.00 0.00 C ATOM 320 O GLU A 22 0.129 10.603 1.868 1.00 0.00 O ATOM 321 CB GLU A 22 -1.749 10.880 -0.144 1.00 0.00 C ATOM 322 CG GLU A 22 -1.981 10.422 -1.586 1.00 0.00 C ATOM 323 CD GLU A 22 -1.181 11.305 -2.536 1.00 0.00 C ATOM 324 OE1 GLU A 22 -1.347 12.512 -2.473 1.00 0.00 O ATOM 325 OE2 GLU A 22 -0.413 10.762 -3.313 1.00 0.00 O ATOM 0 H GLU A 22 -3.590 8.555 0.926 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.480 8.779 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.503 11.614 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.779 11.369 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.680 9.381 -1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.042 10.476 -1.829 1.00 0.00 H new ATOM 332 N GLU A 23 -1.258 9.363 3.136 1.00 0.00 N ATOM 333 CA GLU A 23 -0.456 9.530 4.344 1.00 0.00 C ATOM 334 C GLU A 23 0.726 8.568 4.327 1.00 0.00 C ATOM 335 O GLU A 23 1.877 8.971 4.494 1.00 0.00 O ATOM 336 CB GLU A 23 -1.312 9.265 5.589 1.00 0.00 C ATOM 337 CG GLU A 23 -1.790 10.593 6.180 1.00 0.00 C ATOM 338 CD GLU A 23 -2.147 10.397 7.650 1.00 0.00 C ATOM 339 OE1 GLU A 23 -3.118 9.709 7.917 1.00 0.00 O ATOM 340 OE2 GLU A 23 -1.443 10.938 8.486 1.00 0.00 O ATOM 0 H GLU A 23 -2.098 8.797 3.256 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.086 10.555 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.168 8.643 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.733 8.714 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.010 11.348 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.658 10.957 5.630 1.00 0.00 H new ATOM 347 N SER A 24 0.429 7.290 4.118 1.00 0.00 N ATOM 348 CA SER A 24 1.475 6.274 4.074 1.00 0.00 C ATOM 349 C SER A 24 2.315 6.432 2.811 1.00 0.00 C ATOM 350 O SER A 24 3.511 6.147 2.804 1.00 0.00 O ATOM 351 CB SER A 24 0.862 4.873 4.093 1.00 0.00 C ATOM 352 OG SER A 24 -0.221 4.848 5.014 1.00 0.00 O ATOM 0 H SER A 24 -0.517 6.935 3.978 1.00 0.00 H new ATOM 0 HA SER A 24 2.108 6.404 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.514 4.602 3.096 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.614 4.138 4.378 1.00 0.00 H new ATOM 0 HG SER A 24 -0.088 4.119 5.655 1.00 0.00 H new ATOM 358 N LEU A 25 1.671 6.887 1.739 1.00 0.00 N ATOM 359 CA LEU A 25 2.363 7.078 0.467 1.00 0.00 C ATOM 360 C LEU A 25 3.485 8.113 0.591 1.00 0.00 C ATOM 361 O LEU A 25 4.403 8.146 -0.229 1.00 0.00 O ATOM 362 CB LEU A 25 1.382 7.541 -0.611 1.00 0.00 C ATOM 363 CG LEU A 25 0.549 6.432 -1.262 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.550 7.057 -2.122 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.452 5.565 -2.143 1.00 0.00 C ATOM 0 H LEU A 25 0.680 7.128 1.725 1.00 0.00 H new ATOM 0 HA LEU A 25 2.796 6.118 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.703 8.271 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.942 8.057 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 25 0.097 5.815 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.143 6.268 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.194 7.675 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.098 7.674 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.859 4.776 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.904 6.182 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.236 5.118 -1.532 1.00 0.00 H new ATOM 377 N ASN A 26 3.404 8.965 1.613 1.00 0.00 N ATOM 378 CA ASN A 26 4.421 9.996 1.811 1.00 0.00 C ATOM 379 C ASN A 26 5.608 9.450 2.602 1.00 0.00 C ATOM 380 O ASN A 26 6.748 9.867 2.402 1.00 0.00 O ATOM 381 CB ASN A 26 3.830 11.190 2.564 1.00 0.00 C ATOM 382 CG ASN A 26 4.506 12.474 2.097 1.00 0.00 C ATOM 383 OD1 ASN A 26 4.364 12.874 0.942 1.00 0.00 O ATOM 384 ND2 ASN A 26 5.242 13.151 2.936 1.00 0.00 N ATOM 0 H ASN A 26 2.656 8.963 2.307 1.00 0.00 H new ATOM 0 HA ASN A 26 4.764 10.314 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.756 11.248 2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.971 11.062 3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.699 14.011 2.634 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.360 12.820 3.893 1.00 0.00 H new ATOM 391 N LYS A 27 5.327 8.520 3.511 1.00 0.00 N ATOM 392 CA LYS A 27 6.383 7.932 4.336 1.00 0.00 C ATOM 393 C LYS A 27 6.902 6.624 3.734 1.00 0.00 C ATOM 394 O LYS A 27 8.021 6.199 4.022 1.00 0.00 O ATOM 395 CB LYS A 27 5.860 7.652 5.747 1.00 0.00 C ATOM 396 CG LYS A 27 5.744 8.968 6.519 1.00 0.00 C ATOM 397 CD LYS A 27 5.066 8.713 7.866 1.00 0.00 C ATOM 398 CE LYS A 27 3.560 8.944 7.731 1.00 0.00 C ATOM 399 NZ LYS A 27 2.924 9.182 9.057 1.00 0.00 N ATOM 0 H LYS A 27 4.391 8.160 3.695 1.00 0.00 H new ATOM 0 HA LYS A 27 7.202 8.651 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.888 7.162 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.533 6.971 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.733 9.399 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.168 9.691 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.260 7.692 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.480 9.377 8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.379 9.800 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.099 8.078 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.903 9.335 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.077 8.355 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.348 10.023 9.499 1.00 0.00 H new ATOM 413 N VAL A 28 6.080 5.985 2.905 1.00 0.00 N ATOM 414 CA VAL A 28 6.470 4.722 2.280 1.00 0.00 C ATOM 415 C VAL A 28 7.715 4.906 1.417 1.00 0.00 C ATOM 416 O VAL A 28 8.626 4.077 1.421 1.00 0.00 O ATOM 417 CB VAL A 28 5.318 4.185 1.418 1.00 0.00 C ATOM 418 CG1 VAL A 28 5.070 5.090 0.205 1.00 0.00 C ATOM 419 CG2 VAL A 28 5.655 2.773 0.937 1.00 0.00 C ATOM 0 H VAL A 28 5.149 6.316 2.652 1.00 0.00 H new ATOM 0 HA VAL A 28 6.697 4.006 3.069 1.00 0.00 H new ATOM 0 HB VAL A 28 4.414 4.167 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.249 4.687 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.813 6.093 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.972 5.135 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.837 2.392 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.570 2.799 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.799 2.120 1.798 1.00 0.00 H new ATOM 429 N ARG A 29 7.728 6.005 0.673 1.00 0.00 N ATOM 430 CA ARG A 29 8.852 6.318 -0.216 1.00 0.00 C ATOM 431 C ARG A 29 10.183 6.276 0.538 1.00 0.00 C ATOM 432 O ARG A 29 11.231 5.995 -0.043 1.00 0.00 O ATOM 433 CB ARG A 29 8.674 7.704 -0.834 1.00 0.00 C ATOM 434 CG ARG A 29 8.461 8.737 0.274 1.00 0.00 C ATOM 435 CD ARG A 29 8.714 10.141 -0.279 1.00 0.00 C ATOM 436 NE ARG A 29 9.293 11.003 0.749 1.00 0.00 N ATOM 437 CZ ARG A 29 10.165 11.955 0.432 1.00 0.00 C ATOM 438 NH1 ARG A 29 11.148 11.695 -0.386 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.040 13.151 0.941 1.00 0.00 N ATOM 0 H ARG A 29 6.978 6.696 0.664 1.00 0.00 H new ATOM 0 HA ARG A 29 8.867 5.563 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.552 7.965 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.822 7.704 -1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.445 8.665 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.135 8.536 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.387 10.085 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.778 10.571 -0.637 1.00 0.00 H new ATOM 0 HE ARG A 29 9.024 10.872 1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.248 10.761 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.817 12.426 -0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.273 13.355 1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.709 13.881 0.698 1.00 0.00 H new ATOM 453 N ASN A 30 10.128 6.553 1.838 1.00 0.00 N ATOM 454 CA ASN A 30 11.336 6.535 2.658 1.00 0.00 C ATOM 455 C ASN A 30 11.753 5.096 2.944 1.00 0.00 C ATOM 456 O ASN A 30 10.940 4.175 2.876 1.00 0.00 O ATOM 457 CB ASN A 30 11.096 7.258 3.985 1.00 0.00 C ATOM 458 CG ASN A 30 12.403 7.869 4.476 1.00 0.00 C ATOM 459 OD1 ASN A 30 13.480 7.323 4.236 1.00 0.00 O ATOM 460 ND2 ASN A 30 12.374 8.982 5.156 1.00 0.00 N ATOM 0 H ASN A 30 9.273 6.790 2.341 1.00 0.00 H new ATOM 0 HA ASN A 30 12.127 7.046 2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.344 8.037 3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.708 6.560 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.243 9.399 5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.482 9.435 5.355 1.00 0.00 H new ATOM 467 N ARG A 31 13.031 4.912 3.263 1.00 0.00 N ATOM 468 CA ARG A 31 13.544 3.576 3.555 1.00 0.00 C ATOM 469 C ARG A 31 13.091 3.125 4.941 1.00 0.00 C ATOM 470 O ARG A 31 13.845 3.190 5.912 1.00 0.00 O ATOM 471 CB ARG A 31 15.073 3.561 3.493 1.00 0.00 C ATOM 472 CG ARG A 31 15.539 4.064 2.121 1.00 0.00 C ATOM 473 CD ARG A 31 16.720 3.220 1.636 1.00 0.00 C ATOM 474 NE ARG A 31 17.988 3.852 1.991 1.00 0.00 N ATOM 475 CZ ARG A 31 19.145 3.351 1.570 1.00 0.00 C ATOM 476 NH1 ARG A 31 19.565 2.203 2.029 1.00 0.00 N ATOM 477 NH2 ARG A 31 19.861 4.006 0.697 1.00 0.00 N ATOM 0 H ARG A 31 13.722 5.659 3.326 1.00 0.00 H new ATOM 0 HA ARG A 31 13.149 2.891 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.485 4.191 4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.444 2.551 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.720 4.006 1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.831 5.112 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.668 2.225 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.662 3.092 0.555 1.00 0.00 H new ATOM 0 HE ARG A 31 17.986 4.691 2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.005 1.691 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.453 1.819 1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.533 4.902 0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.749 3.621 0.374 1.00 0.00 H new ATOM 491 N GLU A 32 11.844 2.668 5.018 1.00 0.00 N ATOM 492 CA GLU A 32 11.286 2.206 6.287 1.00 0.00 C ATOM 493 C GLU A 32 10.236 1.125 6.045 1.00 0.00 C ATOM 494 O GLU A 32 10.232 0.084 6.702 1.00 0.00 O ATOM 495 CB GLU A 32 10.640 3.369 7.043 1.00 0.00 C ATOM 496 CG GLU A 32 11.679 4.031 7.949 1.00 0.00 C ATOM 497 CD GLU A 32 12.094 3.057 9.047 1.00 0.00 C ATOM 498 OE1 GLU A 32 11.360 2.939 10.014 1.00 0.00 O ATOM 499 OE2 GLU A 32 13.139 2.444 8.904 1.00 0.00 O ATOM 0 H GLU A 32 11.205 2.608 4.225 1.00 0.00 H new ATOM 0 HA GLU A 32 12.101 1.794 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.241 4.098 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.801 3.008 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.550 4.328 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.266 4.938 8.390 1.00 0.00 H new ATOM 506 N GLU A 33 9.343 1.385 5.090 1.00 0.00 N ATOM 507 CA GLU A 33 8.284 0.431 4.759 1.00 0.00 C ATOM 508 C GLU A 33 7.346 0.241 5.947 1.00 0.00 C ATOM 509 O GLU A 33 7.542 -0.647 6.776 1.00 0.00 O ATOM 510 CB GLU A 33 8.876 -0.926 4.368 1.00 0.00 C ATOM 511 CG GLU A 33 9.921 -0.730 3.268 1.00 0.00 C ATOM 512 CD GLU A 33 10.607 -2.060 2.975 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.184 -2.621 3.893 1.00 0.00 O ATOM 514 OE2 GLU A 33 10.547 -2.498 1.838 1.00 0.00 O ATOM 0 H GLU A 33 9.331 2.241 4.536 1.00 0.00 H new ATOM 0 HA GLU A 33 7.726 0.835 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.332 -1.400 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.087 -1.592 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.446 -0.347 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.658 0.010 3.579 1.00 0.00 H new ATOM 521 N VAL A 34 6.322 1.086 6.014 1.00 0.00 N ATOM 522 CA VAL A 34 5.350 1.007 7.102 1.00 0.00 C ATOM 523 C VAL A 34 4.391 -0.165 6.872 1.00 0.00 C ATOM 524 O VAL A 34 3.901 -0.779 7.820 1.00 0.00 O ATOM 525 CB VAL A 34 4.560 2.323 7.206 1.00 0.00 C ATOM 526 CG1 VAL A 34 3.776 2.571 5.913 1.00 0.00 C ATOM 527 CG2 VAL A 34 3.586 2.253 8.388 1.00 0.00 C ATOM 0 H VAL A 34 6.143 1.827 5.336 1.00 0.00 H new ATOM 0 HA VAL A 34 5.886 0.844 8.037 1.00 0.00 H new ATOM 0 HB VAL A 34 5.262 3.142 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.221 3.505 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.469 2.636 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.080 1.749 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.029 3.188 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.891 1.427 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.144 2.095 9.311 1.00 0.00 H new ATOM 537 N ASP A 35 4.131 -0.463 5.600 1.00 0.00 N ATOM 538 CA ASP A 35 3.230 -1.560 5.250 1.00 0.00 C ATOM 539 C ASP A 35 1.833 -1.303 5.806 1.00 0.00 C ATOM 540 O ASP A 35 1.542 -1.608 6.963 1.00 0.00 O ATOM 541 CB ASP A 35 3.753 -2.886 5.808 1.00 0.00 C ATOM 542 CG ASP A 35 4.681 -3.537 4.787 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.483 -2.825 4.207 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.574 -4.738 4.602 1.00 0.00 O ATOM 0 H ASP A 35 4.527 0.034 4.802 1.00 0.00 H new ATOM 0 HA ASP A 35 3.183 -1.619 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.287 -2.714 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.920 -3.551 6.034 1.00 0.00 H new ATOM 549 N ASP A 36 0.970 -0.739 4.967 1.00 0.00 N ATOM 550 CA ASP A 36 -0.399 -0.442 5.378 1.00 0.00 C ATOM 551 C ASP A 36 -1.397 -1.115 4.433 1.00 0.00 C ATOM 552 O ASP A 36 -1.079 -1.384 3.275 1.00 0.00 O ATOM 553 CB ASP A 36 -0.646 1.068 5.370 1.00 0.00 C ATOM 554 CG ASP A 36 -0.181 1.666 6.694 1.00 0.00 C ATOM 555 OD1 ASP A 36 -0.648 1.211 7.724 1.00 0.00 O ATOM 556 OD2 ASP A 36 0.637 2.571 6.657 1.00 0.00 O ATOM 0 H ASP A 36 1.191 -0.480 4.006 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.538 -0.826 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.110 1.531 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.706 1.273 5.218 1.00 0.00 H new ATOM 561 N PRO A 37 -2.617 -1.396 4.914 1.00 0.00 N ATOM 562 CA PRO A 37 -3.653 -2.041 4.094 1.00 0.00 C ATOM 563 C PRO A 37 -4.212 -1.110 3.021 1.00 0.00 C ATOM 564 O PRO A 37 -4.273 -1.463 1.844 1.00 0.00 O ATOM 565 CB PRO A 37 -4.740 -2.413 5.100 1.00 0.00 C ATOM 566 CG PRO A 37 -4.561 -1.463 6.233 1.00 0.00 C ATOM 567 CD PRO A 37 -3.100 -1.118 6.278 1.00 0.00 C ATOM 0 HA PRO A 37 -3.256 -2.897 3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.733 -2.320 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.634 -3.446 5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.166 -0.568 6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.881 -1.915 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.946 -0.073 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.572 -1.720 7.017 1.00 0.00 H new ATOM 575 N LYS A 38 -4.614 0.089 3.442 1.00 0.00 N ATOM 576 CA LYS A 38 -5.169 1.075 2.514 1.00 0.00 C ATOM 577 C LYS A 38 -4.189 1.361 1.376 1.00 0.00 C ATOM 578 O LYS A 38 -4.590 1.646 0.249 1.00 0.00 O ATOM 579 CB LYS A 38 -5.474 2.385 3.245 1.00 0.00 C ATOM 580 CG LYS A 38 -6.429 2.117 4.413 1.00 0.00 C ATOM 581 CD LYS A 38 -6.810 3.443 5.072 1.00 0.00 C ATOM 582 CE LYS A 38 -8.216 3.333 5.665 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.816 4.679 5.891 1.00 0.00 N ATOM 0 H LYS A 38 -4.567 0.400 4.412 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.090 0.661 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.550 2.830 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.920 3.102 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.323 1.605 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.955 1.459 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.093 3.692 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.775 4.249 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.852 2.757 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.173 2.789 6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.769 4.571 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.220 5.218 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.878 5.188 4.986 1.00 0.00 H new ATOM 597 N LEU A 39 -2.898 1.282 1.689 1.00 0.00 N ATOM 598 CA LEU A 39 -1.862 1.536 0.690 1.00 0.00 C ATOM 599 C LEU A 39 -1.889 0.464 -0.397 1.00 0.00 C ATOM 600 O LEU A 39 -1.782 0.763 -1.586 1.00 0.00 O ATOM 601 CB LEU A 39 -0.480 1.556 1.352 1.00 0.00 C ATOM 602 CG LEU A 39 0.452 2.678 0.888 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.756 2.622 1.686 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.759 2.502 -0.601 1.00 0.00 C ATOM 0 H LEU A 39 -2.546 1.047 2.617 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.059 2.507 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.613 1.640 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.008 0.600 1.164 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.032 3.641 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.420 3.421 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.539 2.746 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.240 1.659 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.423 3.301 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.242 1.538 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.169 2.542 -1.171 1.00 0.00 H new ATOM 616 N LYS A 40 -2.030 -0.788 0.026 1.00 0.00 N ATOM 617 CA LYS A 40 -2.066 -1.903 -0.917 1.00 0.00 C ATOM 618 C LYS A 40 -3.271 -1.780 -1.843 1.00 0.00 C ATOM 619 O LYS A 40 -3.147 -1.877 -3.064 1.00 0.00 O ATOM 620 CB LYS A 40 -2.148 -3.235 -0.171 1.00 0.00 C ATOM 621 CG LYS A 40 -0.847 -3.470 0.598 1.00 0.00 C ATOM 622 CD LYS A 40 -1.002 -4.694 1.501 1.00 0.00 C ATOM 623 CE LYS A 40 0.378 -5.175 1.952 1.00 0.00 C ATOM 624 NZ LYS A 40 0.935 -6.188 1.012 1.00 0.00 N ATOM 0 H LYS A 40 -2.121 -1.056 1.006 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.149 -1.873 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.993 -3.227 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.318 -4.049 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.023 -3.621 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.602 -2.592 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.613 -4.444 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.519 -5.490 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.057 -4.325 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.307 -5.604 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.905 -6.431 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.343 -7.043 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.946 -5.798 0.048 1.00 0.00 H new ATOM 638 N GLU A 41 -4.439 -1.568 -1.246 1.00 0.00 N ATOM 639 CA GLU A 41 -5.669 -1.435 -2.023 1.00 0.00 C ATOM 640 C GLU A 41 -5.598 -0.217 -2.938 1.00 0.00 C ATOM 641 O GLU A 41 -5.945 -0.287 -4.118 1.00 0.00 O ATOM 642 CB GLU A 41 -6.873 -1.285 -1.091 1.00 0.00 C ATOM 643 CG GLU A 41 -7.006 -2.537 -0.222 1.00 0.00 C ATOM 644 CD GLU A 41 -7.616 -3.665 -1.047 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.544 -3.395 -1.790 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.145 -4.784 -0.922 1.00 0.00 O ATOM 0 H GLU A 41 -4.561 -1.485 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.782 -2.335 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.751 -0.404 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.782 -1.136 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.028 -2.836 0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.632 -2.326 0.645 1.00 0.00 H new ATOM 653 N HIS A 42 -5.148 0.906 -2.378 1.00 0.00 N ATOM 654 CA HIS A 42 -5.034 2.155 -3.138 1.00 0.00 C ATOM 655 C HIS A 42 -4.285 1.948 -4.456 1.00 0.00 C ATOM 656 O HIS A 42 -4.796 2.259 -5.531 1.00 0.00 O ATOM 657 CB HIS A 42 -4.300 3.213 -2.314 1.00 0.00 C ATOM 658 CG HIS A 42 -4.469 4.560 -2.959 1.00 0.00 C ATOM 659 ND1 HIS A 42 -3.435 5.482 -3.028 1.00 0.00 N ATOM 660 CD2 HIS A 42 -5.545 5.157 -3.569 1.00 0.00 C ATOM 661 CE1 HIS A 42 -3.907 6.574 -3.657 1.00 0.00 C ATOM 662 NE2 HIS A 42 -5.188 6.430 -4.007 1.00 0.00 N ATOM 0 H HIS A 42 -4.857 0.978 -1.403 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.047 2.490 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.692 3.233 -1.297 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.241 2.963 -2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.520 4.708 -3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.321 7.459 -3.855 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -5.778 7.107 -4.491 1.00 0.00 H new ATOM 670 N ALA A 43 -3.064 1.424 -4.359 1.00 0.00 N ATOM 671 CA ALA A 43 -2.234 1.183 -5.546 1.00 0.00 C ATOM 672 C ALA A 43 -2.998 0.404 -6.620 1.00 0.00 C ATOM 673 O ALA A 43 -2.893 0.698 -7.810 1.00 0.00 O ATOM 674 CB ALA A 43 -0.980 0.396 -5.165 1.00 0.00 C ATOM 0 H ALA A 43 -2.626 1.158 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.957 2.157 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.374 0.224 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.402 0.964 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.269 -0.562 -4.733 1.00 0.00 H new ATOM 680 N PHE A 44 -3.761 -0.597 -6.185 1.00 0.00 N ATOM 681 CA PHE A 44 -4.535 -1.419 -7.117 1.00 0.00 C ATOM 682 C PHE A 44 -5.478 -0.557 -7.962 1.00 0.00 C ATOM 683 O PHE A 44 -5.651 -0.792 -9.157 1.00 0.00 O ATOM 684 CB PHE A 44 -5.349 -2.470 -6.349 1.00 0.00 C ATOM 685 CG PHE A 44 -6.056 -3.395 -7.318 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.340 -4.014 -8.351 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.429 -3.632 -7.180 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.997 -4.868 -9.244 1.00 0.00 C ATOM 689 CE2 PHE A 44 -8.085 -4.487 -8.073 1.00 0.00 C ATOM 690 CZ PHE A 44 -7.370 -5.104 -9.105 1.00 0.00 C ATOM 0 H PHE A 44 -3.861 -0.858 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.832 -1.920 -7.783 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.691 -3.047 -5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.079 -1.977 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.281 -3.832 -8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.982 -3.155 -6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.445 -5.345 -10.040 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.144 -4.671 -7.965 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.877 -5.762 -9.795 1.00 0.00 H new ATOM 700 N CYS A 45 -6.092 0.437 -7.325 1.00 0.00 N ATOM 701 CA CYS A 45 -7.023 1.319 -8.029 1.00 0.00 C ATOM 702 C CYS A 45 -6.295 2.172 -9.068 1.00 0.00 C ATOM 703 O CYS A 45 -6.712 2.251 -10.224 1.00 0.00 O ATOM 704 CB CYS A 45 -7.739 2.242 -7.041 1.00 0.00 C ATOM 705 SG CYS A 45 -8.957 1.289 -6.106 1.00 0.00 S ATOM 0 H CYS A 45 -5.965 0.651 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.753 0.687 -8.535 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.017 2.697 -6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.230 3.055 -7.576 1.00 0.00 H new ATOM 710 N ILE A 46 -5.210 2.814 -8.643 1.00 0.00 N ATOM 711 CA ILE A 46 -4.440 3.666 -9.549 1.00 0.00 C ATOM 712 C ILE A 46 -3.859 2.821 -10.690 1.00 0.00 C ATOM 713 O ILE A 46 -3.796 3.267 -11.835 1.00 0.00 O ATOM 714 CB ILE A 46 -3.321 4.404 -8.767 1.00 0.00 C ATOM 715 CG1 ILE A 46 -3.933 5.590 -8.010 1.00 0.00 C ATOM 716 CG2 ILE A 46 -2.235 4.949 -9.712 1.00 0.00 C ATOM 717 CD1 ILE A 46 -4.933 5.090 -6.967 1.00 0.00 C ATOM 0 H ILE A 46 -4.847 2.763 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.097 4.419 -9.984 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.866 3.689 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.146 6.166 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.431 6.260 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.468 5.459 -9.129 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.783 4.123 -10.262 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.683 5.651 -10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.361 5.940 -6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.729 4.534 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.423 4.438 -6.257 1.00 0.00 H new ATOM 729 N LEU A 47 -3.436 1.601 -10.368 1.00 0.00 N ATOM 730 CA LEU A 47 -2.869 0.714 -11.385 1.00 0.00 C ATOM 731 C LEU A 47 -3.901 0.445 -12.485 1.00 0.00 C ATOM 732 O LEU A 47 -3.606 0.557 -13.675 1.00 0.00 O ATOM 733 CB LEU A 47 -2.424 -0.615 -10.756 1.00 0.00 C ATOM 734 CG LEU A 47 -0.941 -0.969 -10.926 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.702 -2.401 -10.441 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.552 -0.865 -12.402 1.00 0.00 C ATOM 0 H LEU A 47 -3.473 1.207 -9.428 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.999 1.205 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.651 -0.585 -9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.022 -1.418 -11.187 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.336 -0.276 -10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.351 -2.655 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.977 -2.480 -9.389 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.310 -3.090 -11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.502 -1.117 -12.519 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.158 -1.557 -12.988 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.723 0.153 -12.752 1.00 0.00 H new ATOM 748 N LYS A 48 -5.115 0.094 -12.067 1.00 0.00 N ATOM 749 CA LYS A 48 -6.191 -0.188 -13.016 1.00 0.00 C ATOM 750 C LYS A 48 -6.585 1.083 -13.768 1.00 0.00 C ATOM 751 O LYS A 48 -6.654 1.097 -14.998 1.00 0.00 O ATOM 752 CB LYS A 48 -7.424 -0.737 -12.283 1.00 0.00 C ATOM 753 CG LYS A 48 -7.443 -2.266 -12.373 1.00 0.00 C ATOM 754 CD LYS A 48 -8.184 -2.840 -11.163 1.00 0.00 C ATOM 755 CE LYS A 48 -9.656 -2.432 -11.225 1.00 0.00 C ATOM 756 NZ LYS A 48 -10.496 -3.287 -10.338 1.00 0.00 N ATOM 0 H LYS A 48 -5.378 -0.002 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.828 -0.933 -13.724 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.406 -0.425 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.333 -0.326 -12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.932 -2.580 -13.295 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.424 -2.652 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.097 -3.926 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.733 -2.475 -10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.758 -1.388 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.013 -2.509 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.232 -2.705 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.944 -4.037 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.899 -3.716 -9.603 1.00 0.00 H new ATOM 770 N ARG A 49 -6.850 2.147 -13.014 1.00 0.00 N ATOM 771 CA ARG A 49 -7.245 3.420 -13.615 1.00 0.00 C ATOM 772 C ARG A 49 -6.152 3.946 -14.540 1.00 0.00 C ATOM 773 O ARG A 49 -6.430 4.500 -15.603 1.00 0.00 O ATOM 774 CB ARG A 49 -7.524 4.460 -12.529 1.00 0.00 C ATOM 775 CG ARG A 49 -8.997 4.392 -12.123 1.00 0.00 C ATOM 776 CD ARG A 49 -9.819 5.316 -13.024 1.00 0.00 C ATOM 777 NE ARG A 49 -11.225 5.299 -12.633 1.00 0.00 N ATOM 778 CZ ARG A 49 -11.873 6.428 -12.355 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.109 7.293 -13.302 1.00 0.00 N ATOM 780 NH2 ARG A 49 -12.272 6.667 -11.137 1.00 0.00 N ATOM 0 H ARG A 49 -6.799 2.155 -11.995 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.151 3.246 -14.195 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.888 4.276 -11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.283 5.458 -12.896 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.361 3.368 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.112 4.688 -11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.431 6.333 -12.962 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.721 5.001 -14.063 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.719 4.408 -12.572 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.797 7.104 -14.255 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.605 8.158 -13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.088 5.989 -10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.769 7.532 -10.923 1.00 0.00 H new ATOM 794 N ALA A 50 -4.902 3.769 -14.121 1.00 0.00 N ATOM 795 CA ALA A 50 -3.766 4.231 -14.916 1.00 0.00 C ATOM 796 C ALA A 50 -3.759 3.568 -16.292 1.00 0.00 C ATOM 797 O ALA A 50 -3.247 4.129 -17.262 1.00 0.00 O ATOM 798 CB ALA A 50 -2.450 3.912 -14.204 1.00 0.00 C ATOM 0 H ALA A 50 -4.650 3.313 -13.244 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.864 5.310 -15.038 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.614 4.263 -14.810 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.430 4.411 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.366 2.835 -14.059 1.00 0.00 H new ATOM 804 N GLY A 51 -4.328 2.368 -16.369 1.00 0.00 N ATOM 805 CA GLY A 51 -4.379 1.640 -17.631 1.00 0.00 C ATOM 806 C GLY A 51 -3.203 0.678 -17.742 1.00 0.00 C ATOM 807 O GLY A 51 -2.684 0.429 -18.831 1.00 0.00 O ATOM 0 H GLY A 51 -4.756 1.884 -15.580 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.316 1.087 -17.701 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.361 2.343 -18.464 1.00 0.00 H new ATOM 811 N PHE A 52 -2.788 0.139 -16.599 1.00 0.00 N ATOM 812 CA PHE A 52 -1.669 -0.798 -16.571 1.00 0.00 C ATOM 813 C PHE A 52 -2.176 -2.222 -16.366 1.00 0.00 C ATOM 814 O PHE A 52 -2.178 -3.033 -17.292 1.00 0.00 O ATOM 815 CB PHE A 52 -0.702 -0.438 -15.438 1.00 0.00 C ATOM 816 CG PHE A 52 0.338 0.535 -15.946 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.097 0.224 -17.082 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.542 1.750 -15.281 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.057 1.128 -17.552 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.503 2.653 -15.752 1.00 0.00 C ATOM 821 CZ PHE A 52 2.260 2.342 -16.887 1.00 0.00 C ATOM 0 H PHE A 52 -3.205 0.332 -15.688 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.146 -0.735 -17.525 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.250 0.003 -14.605 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.218 -1.338 -15.060 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.941 -0.713 -17.595 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.042 1.991 -14.405 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.641 0.888 -18.428 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.660 3.590 -15.239 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.001 3.039 -17.250 1.00 0.00 H new ATOM 831 N ILE A 53 -2.614 -2.515 -15.145 1.00 0.00 N ATOM 832 CA ILE A 53 -3.129 -3.844 -14.836 1.00 0.00 C ATOM 833 C ILE A 53 -4.613 -3.919 -15.204 1.00 0.00 C ATOM 834 O ILE A 53 -5.341 -2.933 -15.089 1.00 0.00 O ATOM 835 CB ILE A 53 -2.910 -4.165 -13.342 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.126 -5.661 -13.101 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.872 -3.363 -12.456 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.244 -6.120 -11.935 1.00 0.00 C ATOM 0 H ILE A 53 -2.623 -1.860 -14.363 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.590 -4.588 -15.422 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.889 -3.888 -13.081 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.175 -5.857 -12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.881 -6.225 -14.001 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.694 -3.610 -11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.706 -2.297 -12.611 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.901 -3.611 -12.718 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.396 -7.185 -11.761 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.197 -5.938 -12.177 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.511 -5.564 -11.036 1.00 0.00 H new ATOM 850 N ASP A 54 -5.051 -5.086 -15.661 1.00 0.00 N ATOM 851 CA ASP A 54 -6.449 -5.252 -16.055 1.00 0.00 C ATOM 852 C ASP A 54 -7.296 -5.743 -14.885 1.00 0.00 C ATOM 853 O ASP A 54 -6.780 -6.200 -13.866 1.00 0.00 O ATOM 854 CB ASP A 54 -6.570 -6.243 -17.215 1.00 0.00 C ATOM 855 CG ASP A 54 -5.925 -7.567 -16.826 1.00 0.00 C ATOM 856 OD1 ASP A 54 -4.774 -7.545 -16.422 1.00 0.00 O ATOM 857 OD2 ASP A 54 -6.590 -8.583 -16.937 1.00 0.00 O ATOM 0 H ASP A 54 -4.472 -5.919 -15.768 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.816 -4.276 -16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.619 -6.398 -17.466 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.086 -5.839 -18.104 1.00 0.00 H new ATOM 862 N ALA A 55 -8.612 -5.635 -15.058 1.00 0.00 N ATOM 863 CA ALA A 55 -9.565 -6.055 -14.028 1.00 0.00 C ATOM 864 C ALA A 55 -9.342 -7.507 -13.587 1.00 0.00 C ATOM 865 O ALA A 55 -9.821 -7.916 -12.529 1.00 0.00 O ATOM 866 CB ALA A 55 -10.996 -5.915 -14.548 1.00 0.00 C ATOM 0 H ALA A 55 -9.045 -5.260 -15.902 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.405 -5.407 -13.166 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.697 -6.230 -13.775 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.188 -4.874 -14.810 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.125 -6.541 -15.431 1.00 0.00 H new ATOM 872 N SER A 56 -8.635 -8.292 -14.402 1.00 0.00 N ATOM 873 CA SER A 56 -8.395 -9.694 -14.062 1.00 0.00 C ATOM 874 C SER A 56 -7.136 -9.842 -13.211 1.00 0.00 C ATOM 875 O SER A 56 -7.031 -10.756 -12.394 1.00 0.00 O ATOM 876 CB SER A 56 -8.238 -10.531 -15.330 1.00 0.00 C ATOM 877 OG SER A 56 -8.738 -11.840 -15.094 1.00 0.00 O ATOM 0 H SER A 56 -8.226 -7.988 -15.285 1.00 0.00 H new ATOM 0 HA SER A 56 -9.255 -10.047 -13.493 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.778 -10.066 -16.155 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.189 -10.577 -15.621 1.00 0.00 H new ATOM 0 HG SER A 56 -8.640 -12.379 -15.907 1.00 0.00 H new ATOM 883 N GLY A 57 -6.189 -8.927 -13.393 1.00 0.00 N ATOM 884 CA GLY A 57 -4.956 -8.965 -12.618 1.00 0.00 C ATOM 885 C GLY A 57 -3.768 -9.444 -13.450 1.00 0.00 C ATOM 886 O GLY A 57 -2.764 -9.902 -12.904 1.00 0.00 O ATOM 0 H GLY A 57 -6.251 -8.159 -14.062 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.745 -7.971 -12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.087 -9.625 -11.761 1.00 0.00 H new ATOM 890 N GLU A 58 -3.876 -9.324 -14.770 1.00 0.00 N ATOM 891 CA GLU A 58 -2.784 -9.739 -15.646 1.00 0.00 C ATOM 892 C GLU A 58 -1.735 -8.635 -15.715 1.00 0.00 C ATOM 893 O GLU A 58 -2.019 -7.515 -16.140 1.00 0.00 O ATOM 894 CB GLU A 58 -3.299 -10.037 -17.057 1.00 0.00 C ATOM 895 CG GLU A 58 -4.466 -11.024 -16.977 1.00 0.00 C ATOM 896 CD GLU A 58 -4.494 -11.882 -18.237 1.00 0.00 C ATOM 897 OE1 GLU A 58 -3.852 -12.920 -18.237 1.00 0.00 O ATOM 898 OE2 GLU A 58 -5.158 -11.491 -19.182 1.00 0.00 O ATOM 0 H GLU A 58 -4.694 -8.949 -15.251 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.342 -10.647 -15.237 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.621 -9.115 -17.540 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.498 -10.453 -17.668 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.361 -11.657 -16.096 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.407 -10.484 -16.871 1.00 0.00 H new ATOM 905 N PHE A 59 -0.522 -8.956 -15.275 1.00 0.00 N ATOM 906 CA PHE A 59 0.561 -7.969 -15.277 1.00 0.00 C ATOM 907 C PHE A 59 0.960 -7.592 -16.699 1.00 0.00 C ATOM 908 O PHE A 59 1.103 -8.446 -17.574 1.00 0.00 O ATOM 909 CB PHE A 59 1.813 -8.473 -14.534 1.00 0.00 C ATOM 910 CG PHE A 59 2.080 -9.929 -14.853 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.649 -10.290 -16.080 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.755 -10.918 -13.915 1.00 0.00 C ATOM 913 CE1 PHE A 59 2.893 -11.638 -16.370 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.000 -12.265 -14.205 1.00 0.00 C ATOM 915 CZ PHE A 59 2.568 -12.625 -15.432 1.00 0.00 C ATOM 0 H PHE A 59 -0.263 -9.875 -14.917 1.00 0.00 H new ATOM 0 HA PHE A 59 0.172 -7.095 -14.756 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.676 -7.870 -14.817 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.677 -8.351 -13.459 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.900 -9.528 -16.803 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.315 -10.641 -12.968 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.332 -11.916 -17.317 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.751 -13.027 -13.481 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.756 -13.665 -15.656 1.00 0.00 H new ATOM 925 N GLN A 60 1.155 -6.294 -16.903 1.00 0.00 N ATOM 926 CA GLN A 60 1.559 -5.773 -18.204 1.00 0.00 C ATOM 927 C GLN A 60 2.822 -4.935 -18.030 1.00 0.00 C ATOM 928 O GLN A 60 2.804 -3.712 -18.165 1.00 0.00 O ATOM 929 CB GLN A 60 0.446 -4.910 -18.806 1.00 0.00 C ATOM 930 CG GLN A 60 -0.684 -5.810 -19.307 1.00 0.00 C ATOM 931 CD GLN A 60 -0.315 -6.380 -20.672 1.00 0.00 C ATOM 932 OE1 GLN A 60 0.319 -5.706 -21.483 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.677 -7.597 -20.976 1.00 0.00 N ATOM 0 H GLN A 60 1.040 -5.582 -16.182 1.00 0.00 H new ATOM 0 HA GLN A 60 1.753 -6.606 -18.880 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.066 -4.214 -18.058 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.840 -4.311 -19.627 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.859 -6.620 -18.599 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.611 -5.242 -19.377 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.203 -8.156 -20.304 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.434 -7.989 -21.886 1.00 0.00 H new ATOM 942 N LEU A 61 3.915 -5.616 -17.703 1.00 0.00 N ATOM 943 CA LEU A 61 5.191 -4.942 -17.475 1.00 0.00 C ATOM 944 C LEU A 61 5.820 -4.490 -18.788 1.00 0.00 C ATOM 945 O LEU A 61 6.569 -3.515 -18.823 1.00 0.00 O ATOM 946 CB LEU A 61 6.169 -5.870 -16.738 1.00 0.00 C ATOM 947 CG LEU A 61 5.606 -6.696 -15.555 1.00 0.00 C ATOM 948 CD1 LEU A 61 4.442 -5.965 -14.871 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.125 -8.056 -16.068 1.00 0.00 C ATOM 0 H LEU A 61 3.945 -6.629 -17.590 1.00 0.00 H new ATOM 0 HA LEU A 61 4.990 -4.064 -16.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.589 -6.565 -17.466 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.994 -5.263 -16.364 1.00 0.00 H new ATOM 0 HG LEU A 61 6.401 -6.832 -14.822 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.068 -6.570 -14.045 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.789 -5.005 -14.490 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.641 -5.801 -15.592 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.728 -8.639 -15.237 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.343 -7.908 -16.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.960 -8.591 -16.520 1.00 0.00 H new ATOM 961 N ASP A 62 5.507 -5.198 -19.871 1.00 0.00 N ATOM 962 CA ASP A 62 6.054 -4.842 -21.180 1.00 0.00 C ATOM 963 C ASP A 62 5.649 -3.418 -21.557 1.00 0.00 C ATOM 964 O ASP A 62 6.386 -2.706 -22.239 1.00 0.00 O ATOM 965 CB ASP A 62 5.548 -5.806 -22.255 1.00 0.00 C ATOM 966 CG ASP A 62 6.258 -7.148 -22.109 1.00 0.00 C ATOM 967 OD1 ASP A 62 6.312 -7.651 -20.998 1.00 0.00 O ATOM 968 OD2 ASP A 62 6.739 -7.654 -23.110 1.00 0.00 O ATOM 0 H ASP A 62 4.888 -6.009 -19.871 1.00 0.00 H new ATOM 0 HA ASP A 62 7.140 -4.908 -21.119 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.470 -5.940 -22.160 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.732 -5.391 -23.246 1.00 0.00 H new ATOM 973 N HIS A 63 4.469 -3.010 -21.095 1.00 0.00 N ATOM 974 CA HIS A 63 3.971 -1.667 -21.378 1.00 0.00 C ATOM 975 C HIS A 63 4.479 -0.685 -20.326 1.00 0.00 C ATOM 976 O HIS A 63 4.698 0.493 -20.611 1.00 0.00 O ATOM 977 CB HIS A 63 2.441 -1.651 -21.378 1.00 0.00 C ATOM 978 CG HIS A 63 1.952 -0.566 -22.298 1.00 0.00 C ATOM 979 ND1 HIS A 63 2.055 -0.662 -23.676 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.354 0.645 -22.050 1.00 0.00 C ATOM 981 CE1 HIS A 63 1.531 0.460 -24.202 1.00 0.00 C ATOM 982 NE2 HIS A 63 1.090 1.291 -23.254 1.00 0.00 N ATOM 0 H HIS A 63 3.845 -3.584 -20.528 1.00 0.00 H new ATOM 0 HA HIS A 63 4.334 -1.371 -22.362 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.056 -2.618 -21.702 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.068 -1.482 -20.368 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.124 1.036 -21.070 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.474 0.664 -25.261 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.653 2.204 -23.384 1.00 0.00 H new ATOM 990 N ILE A 64 4.666 -1.184 -19.105 1.00 0.00 N ATOM 991 CA ILE A 64 5.154 -0.345 -18.013 1.00 0.00 C ATOM 992 C ILE A 64 6.591 0.092 -18.293 1.00 0.00 C ATOM 993 O ILE A 64 6.905 1.282 -18.273 1.00 0.00 O ATOM 994 CB ILE A 64 5.082 -1.115 -16.682 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.619 -1.449 -16.374 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.646 -0.265 -15.536 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.549 -2.650 -15.424 1.00 0.00 C ATOM 0 H ILE A 64 4.489 -2.155 -18.849 1.00 0.00 H new ATOM 0 HA ILE A 64 4.524 0.542 -17.939 1.00 0.00 H new ATOM 0 HB ILE A 64 5.672 -2.027 -16.773 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.127 -0.587 -15.922 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.085 -1.673 -17.298 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.587 -0.826 -14.603 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.687 -0.017 -15.745 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.066 0.653 -15.444 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.506 -2.883 -15.208 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.024 -3.512 -15.892 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.067 -2.410 -14.495 1.00 0.00 H new ATOM 1009 N LYS A 65 7.463 -0.882 -18.555 1.00 0.00 N ATOM 1010 CA LYS A 65 8.869 -0.578 -18.837 1.00 0.00 C ATOM 1011 C LYS A 65 8.994 0.442 -19.974 1.00 0.00 C ATOM 1012 O LYS A 65 9.749 1.409 -19.878 1.00 0.00 O ATOM 1013 CB LYS A 65 9.639 -1.855 -19.204 1.00 0.00 C ATOM 1014 CG LYS A 65 9.029 -2.506 -20.449 1.00 0.00 C ATOM 1015 CD LYS A 65 9.649 -3.892 -20.656 1.00 0.00 C ATOM 1016 CE LYS A 65 9.218 -4.837 -19.528 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.398 -5.487 -18.887 1.00 0.00 N ATOM 0 H LYS A 65 7.227 -1.874 -18.578 1.00 0.00 H new ATOM 0 HA LYS A 65 9.301 -0.150 -17.932 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.687 -1.616 -19.387 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.613 -2.556 -18.369 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.948 -2.592 -20.335 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.208 -1.881 -21.324 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.338 -4.297 -21.619 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.736 -3.813 -20.679 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.655 -4.280 -18.779 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.550 -5.601 -19.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.076 -6.120 -18.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.920 -6.037 -19.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.022 -4.757 -18.487 1.00 0.00 H new ATOM 1031 N THR A 66 8.235 0.218 -21.045 1.00 0.00 N ATOM 1032 CA THR A 66 8.260 1.122 -22.192 1.00 0.00 C ATOM 1033 C THR A 66 7.803 2.522 -21.790 1.00 0.00 C ATOM 1034 O THR A 66 8.294 3.524 -22.310 1.00 0.00 O ATOM 1035 CB THR A 66 7.342 0.602 -23.303 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.512 -0.802 -23.435 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.697 1.288 -24.623 1.00 0.00 C ATOM 0 H THR A 66 7.600 -0.575 -21.142 1.00 0.00 H new ATOM 0 HA THR A 66 9.287 1.168 -22.555 1.00 0.00 H new ATOM 0 HB THR A 66 6.304 0.821 -23.051 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.902 -1.264 -22.823 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.044 0.918 -25.413 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.567 2.365 -24.520 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.734 1.071 -24.879 1.00 0.00 H new ATOM 1045 N LYS A 67 6.846 2.578 -20.867 1.00 0.00 N ATOM 1046 CA LYS A 67 6.312 3.859 -20.409 1.00 0.00 C ATOM 1047 C LYS A 67 7.388 4.684 -19.710 1.00 0.00 C ATOM 1048 O LYS A 67 7.657 5.821 -20.092 1.00 0.00 O ATOM 1049 CB LYS A 67 5.147 3.638 -19.441 1.00 0.00 C ATOM 1050 CG LYS A 67 3.840 3.540 -20.230 1.00 0.00 C ATOM 1051 CD LYS A 67 3.274 4.943 -20.459 1.00 0.00 C ATOM 1052 CE LYS A 67 2.353 4.930 -21.679 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.937 4.672 -21.290 1.00 0.00 N ATOM 0 H LYS A 67 6.427 1.760 -20.425 1.00 0.00 H new ATOM 0 HA LYS A 67 5.962 4.401 -21.287 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.306 2.726 -18.866 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.093 4.460 -18.727 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.016 3.047 -21.186 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.119 2.930 -19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.723 5.272 -19.578 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.086 5.654 -20.611 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.421 5.886 -22.198 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.685 4.163 -22.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.338 4.670 -22.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.870 3.748 -20.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.614 5.418 -20.641 1.00 0.00 H new ATOM 1067 N PHE A 68 7.997 4.106 -18.680 1.00 0.00 N ATOM 1068 CA PHE A 68 9.039 4.808 -17.935 1.00 0.00 C ATOM 1069 C PHE A 68 10.255 5.082 -18.818 1.00 0.00 C ATOM 1070 O PHE A 68 11.027 6.005 -18.560 1.00 0.00 O ATOM 1071 CB PHE A 68 9.479 3.983 -16.725 1.00 0.00 C ATOM 1072 CG PHE A 68 8.474 4.147 -15.611 1.00 0.00 C ATOM 1073 CD1 PHE A 68 7.247 3.475 -15.669 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.768 4.973 -14.520 1.00 0.00 C ATOM 1075 CE1 PHE A 68 6.315 3.629 -14.636 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.836 5.127 -13.485 1.00 0.00 C ATOM 1077 CZ PHE A 68 6.609 4.454 -13.544 1.00 0.00 C ATOM 0 H PHE A 68 7.792 3.165 -18.344 1.00 0.00 H new ATOM 0 HA PHE A 68 8.621 5.757 -17.600 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.565 2.932 -17.000 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.465 4.306 -16.390 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.020 2.838 -16.511 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.714 5.492 -14.476 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.368 3.111 -14.682 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.063 5.764 -12.643 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.890 4.572 -12.747 1.00 0.00 H new ATOM 1087 N LYS A 69 10.423 4.271 -19.860 1.00 0.00 N ATOM 1088 CA LYS A 69 11.554 4.440 -20.768 1.00 0.00 C ATOM 1089 C LYS A 69 11.377 5.666 -21.673 1.00 0.00 C ATOM 1090 O LYS A 69 12.293 6.031 -22.411 1.00 0.00 O ATOM 1091 CB LYS A 69 11.719 3.199 -21.646 1.00 0.00 C ATOM 1092 CG LYS A 69 12.628 2.191 -20.939 1.00 0.00 C ATOM 1093 CD LYS A 69 13.217 1.224 -21.969 1.00 0.00 C ATOM 1094 CE LYS A 69 13.631 -0.074 -21.274 1.00 0.00 C ATOM 1095 NZ LYS A 69 13.929 -1.148 -22.263 1.00 0.00 N ATOM 0 H LYS A 69 9.799 3.499 -20.095 1.00 0.00 H new ATOM 0 HA LYS A 69 12.442 4.585 -20.152 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.746 2.750 -21.846 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.146 3.476 -22.610 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.429 2.713 -20.415 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.062 1.639 -20.188 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.483 1.014 -22.747 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.079 1.678 -22.458 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.510 0.107 -20.655 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.834 -0.402 -20.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.207 -2.015 -21.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.082 -1.336 -22.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.706 -0.843 -22.883 1.00 0.00 H new ATOM 1109 N GLU A 70 10.198 6.303 -21.620 1.00 0.00 N ATOM 1110 CA GLU A 70 9.934 7.483 -22.454 1.00 0.00 C ATOM 1111 C GLU A 70 11.042 8.529 -22.307 1.00 0.00 C ATOM 1112 O GLU A 70 11.017 9.360 -21.401 1.00 0.00 O ATOM 1113 CB GLU A 70 8.590 8.119 -22.077 1.00 0.00 C ATOM 1114 CG GLU A 70 8.568 8.469 -20.580 1.00 0.00 C ATOM 1115 CD GLU A 70 8.551 9.985 -20.400 1.00 0.00 C ATOM 1116 OE1 GLU A 70 7.851 10.643 -21.153 1.00 0.00 O ATOM 1117 OE2 GLU A 70 9.238 10.464 -19.513 1.00 0.00 O ATOM 0 H GLU A 70 9.423 6.026 -21.018 1.00 0.00 H new ATOM 0 HA GLU A 70 9.903 7.147 -23.491 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.426 9.019 -22.670 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.777 7.432 -22.309 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.690 8.028 -20.108 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.442 8.045 -20.086 1.00 0.00 H new ATOM 1210 N LYS A 77 17.299 1.288 -16.683 1.00 0.00 N ATOM 1211 CA LYS A 77 17.240 0.972 -15.259 1.00 0.00 C ATOM 1212 C LYS A 77 15.834 0.532 -14.861 1.00 0.00 C ATOM 1213 O LYS A 77 15.657 -0.456 -14.148 1.00 0.00 O ATOM 1214 CB LYS A 77 17.633 2.192 -14.424 1.00 0.00 C ATOM 1215 CG LYS A 77 19.158 2.293 -14.354 1.00 0.00 C ATOM 1216 CD LYS A 77 19.553 3.310 -13.281 1.00 0.00 C ATOM 1217 CE LYS A 77 19.660 2.608 -11.927 1.00 0.00 C ATOM 1218 NZ LYS A 77 21.043 2.112 -11.678 1.00 0.00 N ATOM 0 HA LYS A 77 17.940 0.158 -15.070 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.218 3.098 -14.866 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.217 2.108 -13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.587 1.318 -14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.558 2.595 -15.322 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.505 3.774 -13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 77 18.812 4.108 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.371 3.298 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.961 1.773 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 21.081 1.641 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.308 1.435 -12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.706 2.913 -11.687 1.00 0.00 H new ATOM 1232 N VAL A 78 14.833 1.276 -15.327 1.00 0.00 N ATOM 1233 CA VAL A 78 13.443 0.953 -15.010 1.00 0.00 C ATOM 1234 C VAL A 78 13.088 -0.443 -15.522 1.00 0.00 C ATOM 1235 O VAL A 78 12.380 -1.198 -14.857 1.00 0.00 O ATOM 1236 CB VAL A 78 12.488 1.982 -15.637 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.036 1.659 -15.250 1.00 0.00 C ATOM 1238 CG2 VAL A 78 12.845 3.383 -15.132 1.00 0.00 C ATOM 0 H VAL A 78 14.955 2.098 -15.919 1.00 0.00 H new ATOM 0 HA VAL A 78 13.333 0.979 -13.926 1.00 0.00 H new ATOM 0 HB VAL A 78 12.587 1.943 -16.722 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.368 2.394 -15.699 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.776 0.664 -15.611 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.933 1.690 -14.165 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.168 4.113 -15.576 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.750 3.414 -14.047 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.871 3.621 -15.413 1.00 0.00 H new ATOM 1248 N ASP A 79 13.581 -0.779 -16.714 1.00 0.00 N ATOM 1249 CA ASP A 79 13.302 -2.091 -17.316 1.00 0.00 C ATOM 1250 C ASP A 79 13.556 -3.228 -16.322 1.00 0.00 C ATOM 1251 O ASP A 79 12.713 -4.106 -16.136 1.00 0.00 O ATOM 1252 CB ASP A 79 14.164 -2.313 -18.566 1.00 0.00 C ATOM 1253 CG ASP A 79 15.620 -1.969 -18.268 1.00 0.00 C ATOM 1254 OD1 ASP A 79 15.928 -0.790 -18.200 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.406 -2.889 -18.112 1.00 0.00 O ATOM 0 H ASP A 79 14.171 -0.170 -17.281 1.00 0.00 H new ATOM 0 HA ASP A 79 12.249 -2.097 -17.596 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.087 -3.351 -18.891 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.797 -1.695 -19.385 1.00 0.00 H new ATOM 1260 N ASP A 80 14.720 -3.197 -15.681 1.00 0.00 N ATOM 1261 CA ASP A 80 15.066 -4.226 -14.705 1.00 0.00 C ATOM 1262 C ASP A 80 14.184 -4.098 -13.467 1.00 0.00 C ATOM 1263 O ASP A 80 13.748 -5.095 -12.893 1.00 0.00 O ATOM 1264 CB ASP A 80 16.532 -4.096 -14.287 1.00 0.00 C ATOM 1265 CG ASP A 80 17.415 -4.816 -15.301 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.124 -5.961 -15.604 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.370 -4.211 -15.759 1.00 0.00 O ATOM 0 H ASP A 80 15.433 -2.480 -15.817 1.00 0.00 H new ATOM 0 HA ASP A 80 14.907 -5.199 -15.169 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.812 -3.044 -14.227 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.678 -4.522 -13.294 1.00 0.00 H new ATOM 1272 N LEU A 81 13.934 -2.857 -13.061 1.00 0.00 N ATOM 1273 CA LEU A 81 13.108 -2.595 -11.885 1.00 0.00 C ATOM 1274 C LEU A 81 11.679 -3.088 -12.103 1.00 0.00 C ATOM 1275 O LEU A 81 11.052 -3.628 -11.195 1.00 0.00 O ATOM 1276 CB LEU A 81 13.087 -1.092 -11.578 1.00 0.00 C ATOM 1277 CG LEU A 81 14.128 -0.608 -10.563 1.00 0.00 C ATOM 1278 CD1 LEU A 81 13.793 -1.169 -9.181 1.00 0.00 C ATOM 1279 CD2 LEU A 81 15.521 -1.088 -10.985 1.00 0.00 C ATOM 0 H LEU A 81 14.289 -2.021 -13.525 1.00 0.00 H new ATOM 0 HA LEU A 81 13.541 -3.133 -11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.234 -0.547 -12.510 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.096 -0.829 -11.208 1.00 0.00 H new ATOM 0 HG LEU A 81 14.117 0.481 -10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.534 -0.825 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.804 -0.825 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.802 -2.258 -9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 81 16.260 -0.742 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.534 -2.177 -11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.762 -0.686 -11.969 1.00 0.00 H new ATOM 1291 N VAL A 82 11.169 -2.888 -13.313 1.00 0.00 N ATOM 1292 CA VAL A 82 9.808 -3.309 -13.634 1.00 0.00 C ATOM 1293 C VAL A 82 9.666 -4.824 -13.496 1.00 0.00 C ATOM 1294 O VAL A 82 8.903 -5.314 -12.669 1.00 0.00 O ATOM 1295 CB VAL A 82 9.442 -2.890 -15.064 1.00 0.00 C ATOM 1296 CG1 VAL A 82 7.969 -3.214 -15.342 1.00 0.00 C ATOM 1297 CG2 VAL A 82 9.674 -1.380 -15.235 1.00 0.00 C ATOM 0 H VAL A 82 11.670 -2.442 -14.081 1.00 0.00 H new ATOM 0 HA VAL A 82 9.130 -2.823 -12.932 1.00 0.00 H new ATOM 0 HB VAL A 82 10.070 -3.437 -15.767 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.716 -2.914 -16.359 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.804 -4.285 -15.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.338 -2.673 -14.637 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.413 -1.085 -16.251 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.051 -0.834 -14.527 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.723 -1.150 -15.048 1.00 0.00 H new ATOM 1307 N ALA A 83 10.400 -5.557 -14.323 1.00 0.00 N ATOM 1308 CA ALA A 83 10.337 -7.017 -14.294 1.00 0.00 C ATOM 1309 C ALA A 83 10.746 -7.570 -12.928 1.00 0.00 C ATOM 1310 O ALA A 83 10.170 -8.543 -12.441 1.00 0.00 O ATOM 1311 CB ALA A 83 11.261 -7.610 -15.361 1.00 0.00 C ATOM 0 H ALA A 83 11.041 -5.172 -15.017 1.00 0.00 H new ATOM 0 HA ALA A 83 9.303 -7.300 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.204 -8.698 -15.328 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.951 -7.260 -16.346 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.287 -7.295 -15.170 1.00 0.00 H new ATOM 1317 N LYS A 84 11.763 -6.958 -12.329 1.00 0.00 N ATOM 1318 CA LYS A 84 12.267 -7.416 -11.032 1.00 0.00 C ATOM 1319 C LYS A 84 11.315 -7.081 -9.882 1.00 0.00 C ATOM 1320 O LYS A 84 11.146 -7.875 -8.957 1.00 0.00 O ATOM 1321 CB LYS A 84 13.627 -6.781 -10.739 1.00 0.00 C ATOM 1322 CG LYS A 84 14.276 -7.491 -9.549 1.00 0.00 C ATOM 1323 CD LYS A 84 15.113 -8.669 -10.050 1.00 0.00 C ATOM 1324 CE LYS A 84 15.788 -9.358 -8.862 1.00 0.00 C ATOM 1325 NZ LYS A 84 16.456 -10.624 -9.276 1.00 0.00 N ATOM 0 H LYS A 84 12.253 -6.150 -12.714 1.00 0.00 H new ATOM 0 HA LYS A 84 12.355 -8.500 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.271 -6.855 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.505 -5.720 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.905 -6.794 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.509 -7.844 -8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.480 -9.378 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.866 -8.319 -10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.522 -8.686 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.045 -9.571 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.904 -11.067 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.750 -11.274 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.181 -10.416 -9.992 1.00 0.00 H new ATOM 1339 N CYS A 85 10.719 -5.892 -9.923 1.00 0.00 N ATOM 1340 CA CYS A 85 9.818 -5.475 -8.846 1.00 0.00 C ATOM 1341 C CYS A 85 8.379 -5.911 -9.102 1.00 0.00 C ATOM 1342 O CYS A 85 7.608 -6.119 -8.165 1.00 0.00 O ATOM 1343 CB CYS A 85 9.844 -3.955 -8.683 1.00 0.00 C ATOM 1344 SG CYS A 85 11.533 -3.412 -8.318 1.00 0.00 S ATOM 0 H CYS A 85 10.838 -5.211 -10.673 1.00 0.00 H new ATOM 0 HA CYS A 85 10.174 -5.959 -7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.486 -3.475 -9.594 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.173 -3.654 -7.879 1.00 0.00 H new ATOM 1349 N ALA A 86 8.014 -6.041 -10.374 1.00 0.00 N ATOM 1350 CA ALA A 86 6.650 -6.440 -10.731 1.00 0.00 C ATOM 1351 C ALA A 86 6.479 -7.968 -10.742 1.00 0.00 C ATOM 1352 O ALA A 86 5.818 -8.521 -11.622 1.00 0.00 O ATOM 1353 CB ALA A 86 6.283 -5.887 -12.111 1.00 0.00 C ATOM 0 H ALA A 86 8.633 -5.879 -11.169 1.00 0.00 H new ATOM 0 HA ALA A 86 5.987 -6.028 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.267 -6.190 -12.366 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.344 -4.799 -12.095 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.976 -6.278 -12.856 1.00 0.00 H new ATOM 1359 N VAL A 87 7.061 -8.650 -9.754 1.00 0.00 N ATOM 1360 CA VAL A 87 6.940 -10.105 -9.679 1.00 0.00 C ATOM 1361 C VAL A 87 5.477 -10.508 -9.515 1.00 0.00 C ATOM 1362 O VAL A 87 4.729 -9.891 -8.756 1.00 0.00 O ATOM 1363 CB VAL A 87 7.744 -10.654 -8.497 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.240 -10.482 -8.771 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.373 -9.894 -7.220 1.00 0.00 C ATOM 0 H VAL A 87 7.612 -8.226 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 87 7.333 -10.522 -10.606 1.00 0.00 H new ATOM 0 HB VAL A 87 7.514 -11.712 -8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.811 -10.873 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.509 -11.026 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.466 -9.424 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.948 -10.288 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.598 -8.835 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.309 -10.017 -7.020 1.00 0.00 H new ATOM 1375 N LYS A 88 5.074 -11.550 -10.237 1.00 0.00 N ATOM 1376 CA LYS A 88 3.694 -12.024 -10.158 1.00 0.00 C ATOM 1377 C LYS A 88 3.398 -12.561 -8.760 1.00 0.00 C ATOM 1378 O LYS A 88 3.976 -13.557 -8.325 1.00 0.00 O ATOM 1379 CB LYS A 88 3.428 -13.128 -11.189 1.00 0.00 C ATOM 1380 CG LYS A 88 4.546 -14.176 -11.141 1.00 0.00 C ATOM 1381 CD LYS A 88 3.948 -15.577 -11.300 1.00 0.00 C ATOM 1382 CE LYS A 88 3.246 -15.983 -10.005 1.00 0.00 C ATOM 1383 NZ LYS A 88 2.211 -17.028 -10.251 1.00 0.00 N ATOM 0 H LYS A 88 5.672 -12.076 -10.874 1.00 0.00 H new ATOM 0 HA LYS A 88 3.041 -11.178 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.467 -13.601 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.367 -12.696 -12.188 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.269 -13.987 -11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.084 -14.105 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.240 -15.590 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.733 -16.294 -11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.981 -16.358 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.781 -15.108 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.753 -17.282 -9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.497 -16.661 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.660 -17.872 -10.661 1.00 0.00 H new ATOM 1397 N LYS A 89 2.494 -11.883 -8.059 1.00 0.00 N ATOM 1398 CA LYS A 89 2.128 -12.291 -6.705 1.00 0.00 C ATOM 1399 C LYS A 89 0.833 -13.098 -6.716 1.00 0.00 C ATOM 1400 O LYS A 89 0.264 -13.371 -7.772 1.00 0.00 O ATOM 1401 CB LYS A 89 1.946 -11.064 -5.810 1.00 0.00 C ATOM 1402 CG LYS A 89 3.290 -10.351 -5.640 1.00 0.00 C ATOM 1403 CD LYS A 89 4.221 -11.214 -4.785 1.00 0.00 C ATOM 1404 CE LYS A 89 5.412 -10.374 -4.321 1.00 0.00 C ATOM 1405 NZ LYS A 89 5.981 -10.895 -3.045 1.00 0.00 N ATOM 0 H LYS A 89 2.005 -11.056 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 89 2.934 -12.912 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.215 -10.385 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.556 -11.365 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.741 -10.166 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.141 -9.380 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.681 -11.606 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.569 -12.072 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.182 -10.375 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.098 -9.339 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.787 -10.304 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.252 -10.871 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.302 -11.875 -3.182 1.00 0.00 H new ATOM 1419 N ASP A 90 0.375 -13.474 -5.524 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.855 -14.251 -5.398 1.00 0.00 C ATOM 1421 C ASP A 90 -2.072 -13.432 -5.833 1.00 0.00 C ATOM 1422 O ASP A 90 -3.116 -13.990 -6.171 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.054 -14.704 -3.950 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.997 -13.493 -3.025 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -2.033 -12.885 -2.813 1.00 0.00 O ATOM 1426 OD2 ASP A 90 0.082 -13.192 -2.542 1.00 0.00 O ATOM 0 H ASP A 90 0.833 -13.255 -4.639 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.761 -15.121 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.014 -15.210 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.283 -15.423 -3.673 1.00 0.00 H new ATOM 1431 N THR A 91 -1.936 -12.106 -5.820 1.00 0.00 N ATOM 1432 CA THR A 91 -3.041 -11.238 -6.216 1.00 0.00 C ATOM 1433 C THR A 91 -2.513 -9.997 -6.939 1.00 0.00 C ATOM 1434 O THR A 91 -1.358 -9.611 -6.759 1.00 0.00 O ATOM 1435 CB THR A 91 -3.842 -10.796 -4.988 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.976 -10.714 -3.865 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.951 -11.811 -4.708 1.00 0.00 C ATOM 0 H THR A 91 -1.085 -11.617 -5.544 1.00 0.00 H new ATOM 0 HA THR A 91 -3.688 -11.803 -6.887 1.00 0.00 H new ATOM 0 HB THR A 91 -4.287 -9.819 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.864 -11.605 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.521 -11.496 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.614 -11.872 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.509 -12.790 -4.520 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.350 -9.361 -7.770 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.949 -8.162 -8.522 1.00 0.00 C ATOM 1447 C PRO A 92 -2.803 -6.933 -7.630 1.00 0.00 C ATOM 1448 O PRO A 92 -1.782 -6.246 -7.661 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.079 -7.963 -9.527 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.267 -8.619 -8.913 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.748 -9.737 -8.056 1.00 0.00 C ATOM 0 HA PRO A 92 -1.972 -8.291 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.263 -6.904 -9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.834 -8.413 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.837 -7.907 -8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.939 -9.001 -9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.328 -9.837 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.804 -10.694 -8.574 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.836 -6.662 -6.832 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.810 -5.508 -5.931 1.00 0.00 C ATOM 1461 C GLN A 93 -2.596 -5.566 -4.999 1.00 0.00 C ATOM 1462 O GLN A 93 -2.152 -4.542 -4.478 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.091 -5.447 -5.094 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.246 -6.736 -4.284 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.720 -7.119 -4.204 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.548 -6.334 -3.741 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.101 -8.291 -4.633 1.00 0.00 N ATOM 0 H GLN A 93 -4.691 -7.217 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.740 -4.611 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.057 -4.588 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.955 -5.310 -5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.676 -7.540 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.841 -6.598 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.415 -8.941 -5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.085 -8.557 -4.585 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.057 -6.770 -4.801 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.891 -6.936 -3.940 1.00 0.00 C ATOM 1478 C HIS A 94 0.353 -6.415 -4.650 1.00 0.00 C ATOM 1479 O HIS A 94 0.991 -5.464 -4.201 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.686 -8.412 -3.594 1.00 0.00 C ATOM 1481 CG HIS A 94 0.091 -8.525 -2.311 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.171 -9.511 -1.373 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.128 -7.786 -1.798 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.691 -9.341 -0.354 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.506 -8.303 -0.562 1.00 0.00 N ATOM 0 H HIS A 94 -2.405 -7.632 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.058 -6.373 -3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.650 -8.910 -3.492 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.152 -8.914 -4.400 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.887 -10.234 -1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.582 -6.933 -2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.721 -9.967 0.525 1.00 0.00 H new ATOM 1493 N SER A 95 0.684 -7.049 -5.778 1.00 0.00 N ATOM 1494 CA SER A 95 1.852 -6.650 -6.573 1.00 0.00 C ATOM 1495 C SER A 95 1.882 -5.135 -6.796 1.00 0.00 C ATOM 1496 O SER A 95 2.947 -4.532 -6.927 1.00 0.00 O ATOM 1497 CB SER A 95 1.829 -7.346 -7.935 1.00 0.00 C ATOM 1498 OG SER A 95 0.629 -7.006 -8.616 1.00 0.00 O ATOM 0 H SER A 95 0.163 -7.838 -6.161 1.00 0.00 H new ATOM 0 HA SER A 95 2.742 -6.945 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.694 -7.044 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.894 -8.426 -7.805 1.00 0.00 H new ATOM 0 HG SER A 95 -0.045 -6.715 -7.966 1.00 0.00 H new ATOM 1504 N SER A 96 0.695 -4.532 -6.838 1.00 0.00 N ATOM 1505 CA SER A 96 0.585 -3.090 -7.046 1.00 0.00 C ATOM 1506 C SER A 96 1.303 -2.333 -5.930 1.00 0.00 C ATOM 1507 O SER A 96 1.944 -1.309 -6.168 1.00 0.00 O ATOM 1508 CB SER A 96 -0.884 -2.660 -7.078 1.00 0.00 C ATOM 1509 OG SER A 96 -1.695 -3.770 -7.441 1.00 0.00 O ATOM 0 H SER A 96 -0.197 -5.015 -6.732 1.00 0.00 H new ATOM 0 HA SER A 96 1.050 -2.853 -8.003 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.184 -2.281 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.021 -1.847 -7.791 1.00 0.00 H new ATOM 0 HG SER A 96 -2.365 -3.485 -8.097 1.00 0.00 H new ATOM 1515 N ALA A 97 1.192 -2.852 -4.707 1.00 0.00 N ATOM 1516 CA ALA A 97 1.841 -2.219 -3.556 1.00 0.00 C ATOM 1517 C ALA A 97 3.350 -2.139 -3.776 1.00 0.00 C ATOM 1518 O ALA A 97 3.930 -1.054 -3.794 1.00 0.00 O ATOM 1519 CB ALA A 97 1.563 -3.011 -2.277 1.00 0.00 C ATOM 0 H ALA A 97 0.666 -3.698 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 97 1.434 -1.213 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.054 -2.525 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.488 -3.049 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.949 -4.025 -2.386 1.00 0.00 H new ATOM 1525 N ASP A 98 3.976 -3.302 -3.955 1.00 0.00 N ATOM 1526 CA ASP A 98 5.419 -3.353 -4.189 1.00 0.00 C ATOM 1527 C ASP A 98 5.778 -2.550 -5.436 1.00 0.00 C ATOM 1528 O ASP A 98 6.842 -1.939 -5.520 1.00 0.00 O ATOM 1529 CB ASP A 98 5.882 -4.800 -4.376 1.00 0.00 C ATOM 1530 CG ASP A 98 6.090 -5.449 -3.012 1.00 0.00 C ATOM 1531 OD1 ASP A 98 6.964 -4.998 -2.290 1.00 0.00 O ATOM 1532 OD2 ASP A 98 5.372 -6.387 -2.709 1.00 0.00 O ATOM 0 H ASP A 98 3.514 -4.211 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 98 5.919 -2.925 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.141 -5.359 -4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.810 -4.825 -4.947 1.00 0.00 H new ATOM 1537 N PHE A 99 4.859 -2.550 -6.399 1.00 0.00 N ATOM 1538 CA PHE A 99 5.060 -1.811 -7.641 1.00 0.00 C ATOM 1539 C PHE A 99 5.197 -0.318 -7.346 1.00 0.00 C ATOM 1540 O PHE A 99 5.903 0.408 -8.047 1.00 0.00 O ATOM 1541 CB PHE A 99 3.871 -2.040 -8.583 1.00 0.00 C ATOM 1542 CG PHE A 99 4.114 -1.358 -9.909 1.00 0.00 C ATOM 1543 CD1 PHE A 99 5.297 -1.596 -10.619 1.00 0.00 C ATOM 1544 CD2 PHE A 99 3.147 -0.489 -10.430 1.00 0.00 C ATOM 1545 CE1 PHE A 99 5.514 -0.963 -11.848 1.00 0.00 C ATOM 1546 CE2 PHE A 99 3.365 0.144 -11.659 1.00 0.00 C ATOM 1547 CZ PHE A 99 4.548 -0.094 -12.369 1.00 0.00 C ATOM 0 H PHE A 99 3.972 -3.051 -6.343 1.00 0.00 H new ATOM 0 HA PHE A 99 5.973 -2.167 -8.118 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.721 -3.109 -8.738 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.959 -1.653 -8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.042 -2.268 -10.218 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.233 -0.307 -9.883 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.427 -1.145 -12.395 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.621 0.816 -12.060 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.715 0.393 -13.318 1.00 0.00 H new ATOM 1557 N PHE A 100 4.511 0.132 -6.295 1.00 0.00 N ATOM 1558 CA PHE A 100 4.560 1.538 -5.908 1.00 0.00 C ATOM 1559 C PHE A 100 5.448 1.717 -4.679 1.00 0.00 C ATOM 1560 O PHE A 100 5.164 2.530 -3.798 1.00 0.00 O ATOM 1561 CB PHE A 100 3.147 2.051 -5.594 1.00 0.00 C ATOM 1562 CG PHE A 100 2.969 3.444 -6.156 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.878 4.456 -5.826 1.00 0.00 C ATOM 1564 CD2 PHE A 100 1.892 3.721 -7.007 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.712 5.744 -6.348 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.725 5.010 -7.529 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.636 6.021 -7.199 1.00 0.00 C ATOM 0 H PHE A 100 3.921 -0.452 -5.703 1.00 0.00 H new ATOM 0 HA PHE A 100 4.975 2.109 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.403 1.379 -6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.985 2.061 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.708 4.243 -5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 100 1.190 2.941 -7.261 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.414 6.524 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.894 5.224 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.508 7.015 -7.601 1.00 0.00 H new ATOM 1577 N LYS A 101 6.529 0.944 -4.629 1.00 0.00 N ATOM 1578 CA LYS A 101 7.461 1.018 -3.506 1.00 0.00 C ATOM 1579 C LYS A 101 8.861 0.615 -3.953 1.00 0.00 C ATOM 1580 O LYS A 101 9.833 1.336 -3.735 1.00 0.00 O ATOM 1581 CB LYS A 101 7.015 0.085 -2.375 1.00 0.00 C ATOM 1582 CG LYS A 101 6.055 0.826 -1.431 1.00 0.00 C ATOM 1583 CD LYS A 101 4.678 0.154 -1.453 1.00 0.00 C ATOM 1584 CE LYS A 101 4.030 0.267 -0.073 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.126 -0.887 0.199 1.00 0.00 N ATOM 0 H LYS A 101 6.781 0.264 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 101 7.472 2.047 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.523 -0.794 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.884 -0.268 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.454 0.823 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.965 1.869 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.044 0.626 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.778 -0.894 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.805 0.312 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.465 1.197 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.917 -0.932 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.240 -0.766 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.590 -1.769 -0.098 1.00 0.00 H new ATOM 1599 N CYS A 102 8.947 -0.555 -4.587 1.00 0.00 N ATOM 1600 CA CYS A 102 10.227 -1.079 -5.077 1.00 0.00 C ATOM 1601 C CYS A 102 10.991 -0.027 -5.883 1.00 0.00 C ATOM 1602 O CYS A 102 12.171 0.225 -5.643 1.00 0.00 O ATOM 1603 CB CYS A 102 9.983 -2.299 -5.967 1.00 0.00 C ATOM 1604 SG CYS A 102 11.554 -3.126 -6.316 1.00 0.00 S ATOM 0 H CYS A 102 8.147 -1.159 -4.774 1.00 0.00 H new ATOM 0 HA CYS A 102 10.824 -1.356 -4.208 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.299 -2.990 -5.474 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.508 -1.992 -6.899 1.00 0.00 H new ATOM 1609 N VAL A 103 10.300 0.578 -6.845 1.00 0.00 N ATOM 1610 CA VAL A 103 10.915 1.598 -7.692 1.00 0.00 C ATOM 1611 C VAL A 103 11.416 2.774 -6.854 1.00 0.00 C ATOM 1612 O VAL A 103 12.375 3.451 -7.223 1.00 0.00 O ATOM 1613 CB VAL A 103 9.908 2.112 -8.723 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.521 0.973 -9.668 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.657 2.624 -8.005 1.00 0.00 C ATOM 0 H VAL A 103 9.322 0.383 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 103 11.761 1.139 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 103 10.357 2.924 -9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.804 1.338 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.411 0.607 -10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.072 0.161 -9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.940 2.990 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.208 1.812 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.931 3.435 -7.330 1.00 0.00 H new ATOM 1625 N HIS A 104 10.757 3.012 -5.722 1.00 0.00 N ATOM 1626 CA HIS A 104 11.146 4.111 -4.844 1.00 0.00 C ATOM 1627 C HIS A 104 12.264 3.675 -3.900 1.00 0.00 C ATOM 1628 O HIS A 104 13.208 4.421 -3.648 1.00 0.00 O ATOM 1629 CB HIS A 104 9.948 4.583 -4.014 1.00 0.00 C ATOM 1630 CG HIS A 104 9.211 5.660 -4.761 1.00 0.00 C ATOM 1631 ND1 HIS A 104 9.198 5.727 -6.146 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.453 6.721 -4.329 1.00 0.00 C ATOM 1633 CE1 HIS A 104 8.455 6.793 -6.493 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.977 7.434 -5.424 1.00 0.00 N ATOM 0 H HIS A 104 9.961 2.465 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 104 11.501 4.930 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.281 3.745 -3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.287 4.962 -3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.256 6.965 -3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.268 7.094 -7.513 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.389 8.267 -5.413 1.00 0.00 H new ATOM 1642 N ASP A 105 12.144 2.455 -3.382 1.00 0.00 N ATOM 1643 CA ASP A 105 13.150 1.925 -2.465 1.00 0.00 C ATOM 1644 C ASP A 105 14.507 1.832 -3.156 1.00 0.00 C ATOM 1645 O ASP A 105 15.553 1.998 -2.528 1.00 0.00 O ATOM 1646 CB ASP A 105 12.746 0.534 -1.971 1.00 0.00 C ATOM 1647 CG ASP A 105 11.778 0.670 -0.801 1.00 0.00 C ATOM 1648 OD1 ASP A 105 12.247 0.762 0.321 1.00 0.00 O ATOM 1649 OD2 ASP A 105 10.583 0.681 -1.045 1.00 0.00 O ATOM 0 H ASP A 105 11.370 1.821 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 105 13.221 2.605 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.279 -0.029 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.630 -0.025 -1.662 1.00 0.00 H new