USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 19 THR OG1 : rot 101:sc= -1.42! USER MOD Set 1.2: A 20 ASN : amide:sc= -1.42! C(o=-3!,f=-17!) USER MOD Set 1.3: A 88 SER OG : rot -31:sc= -0.175 USER MOD Set 2.1: A 76 ASN : amide:sc= -1.99 K(o=-9.7,f=-3.6) USER MOD Set 2.2: A 77 ASN : amide:sc= -7.67! C(o=-9.7!,f=-3.6!) USER MOD Set 3.1: A 15 ASN : amide:sc= -7.38! C(o=-18!,f=-29!) USER MOD Set 3.2: A 63 ASN : amide:sc= -10.8! C(o=-18!,f=-27!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 68:sc= -7.4! USER MOD Single : A 17 TYR OH : rot 63:sc= -0.0206 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 26 THR OG1 : rot 173:sc= -0.0658 USER MOD Single : A 29 GLN : amide:sc= -2.39! C(o=-2.4!,f=-7.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 70:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=0.000205 K(o=0.0002,f=-2.2!) USER MOD Single : A 43 LYS NZ :NH3+ 133:sc= 0.311 (180deg=-0.478) USER MOD Single : A 44 ASN : amide:sc= -1.98 K(o=-2,f=-7.1!) USER MOD Single : A 62 TYR OH : rot -148:sc= -0.173 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 40:sc= -3.55! USER MOD Single : A 85 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.59 X(o=-0.59,f=-0.78!) USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0249) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -11.358 -3.056 -10.338 1.00 0.00 N ATOM 160 CA LYS A 12 -11.906 -2.548 -9.052 1.00 0.00 C ATOM 161 C LYS A 12 -11.268 -1.187 -8.755 1.00 0.00 C ATOM 162 O LYS A 12 -10.716 -0.556 -9.636 1.00 0.00 O ATOM 163 CB LYS A 12 -11.585 -3.543 -7.937 1.00 0.00 C ATOM 164 CG LYS A 12 -12.798 -4.442 -7.692 1.00 0.00 C ATOM 165 CD LYS A 12 -13.132 -5.219 -8.966 1.00 0.00 C ATOM 166 CE LYS A 12 -13.995 -6.431 -8.606 1.00 0.00 C ATOM 167 NZ LYS A 12 -15.319 -6.316 -9.278 1.00 0.00 N ATOM 0 HA LYS A 12 -12.988 -2.435 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.721 -4.147 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.323 -3.010 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.590 -5.135 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.654 -3.839 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.662 -4.577 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.216 -5.544 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.497 -7.350 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.127 -6.488 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.905 -7.139 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.794 -5.447 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.183 -6.282 -10.309 1.00 0.00 H new ATOM 181 N ASP A 13 -11.335 -0.714 -7.540 1.00 0.00 N ATOM 182 CA ASP A 13 -10.726 0.613 -7.239 1.00 0.00 C ATOM 183 C ASP A 13 -10.495 0.761 -5.736 1.00 0.00 C ATOM 184 O ASP A 13 -11.376 1.160 -5.001 1.00 0.00 O ATOM 185 CB ASP A 13 -11.669 1.714 -7.715 1.00 0.00 C ATOM 186 CG ASP A 13 -13.087 1.418 -7.221 1.00 0.00 C ATOM 187 OD1 ASP A 13 -13.736 0.575 -7.818 1.00 0.00 O ATOM 188 OD2 ASP A 13 -13.499 2.039 -6.257 1.00 0.00 O ATOM 0 H ASP A 13 -11.780 -1.183 -6.751 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.768 0.691 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.336 2.681 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.656 1.774 -8.803 1.00 0.00 H new ATOM 193 N THR A 14 -9.317 0.450 -5.273 1.00 0.00 N ATOM 194 CA THR A 14 -9.038 0.582 -3.817 1.00 0.00 C ATOM 195 C THR A 14 -7.526 0.648 -3.576 1.00 0.00 C ATOM 196 O THR A 14 -6.967 -0.152 -2.853 1.00 0.00 O ATOM 197 CB THR A 14 -9.618 -0.625 -3.088 1.00 0.00 C ATOM 198 OG1 THR A 14 -10.350 -1.420 -4.009 1.00 0.00 O ATOM 199 CG2 THR A 14 -10.543 -0.151 -1.967 1.00 0.00 C ATOM 0 H THR A 14 -8.538 0.111 -5.838 1.00 0.00 H new ATOM 0 HA THR A 14 -9.496 1.497 -3.442 1.00 0.00 H new ATOM 0 HB THR A 14 -8.810 -1.217 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.733 -1.827 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.957 -1.015 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.978 0.460 -1.263 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.355 0.440 -2.391 1.00 0.00 H new ATOM 207 N ASN A 15 -6.865 1.602 -4.169 1.00 0.00 N ATOM 208 CA ASN A 15 -5.390 1.727 -3.974 1.00 0.00 C ATOM 209 C ASN A 15 -5.118 2.386 -2.621 1.00 0.00 C ATOM 210 O ASN A 15 -5.957 3.083 -2.086 1.00 0.00 O ATOM 211 CB ASN A 15 -4.820 2.621 -5.082 1.00 0.00 C ATOM 212 CG ASN A 15 -3.706 1.889 -5.832 1.00 0.00 C ATOM 213 OD1 ASN A 15 -3.873 0.757 -6.240 1.00 0.00 O ATOM 214 ND2 ASN A 15 -2.570 2.498 -6.038 1.00 0.00 N ATOM 0 H ASN A 15 -7.281 2.303 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.926 0.741 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.612 2.901 -5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.432 3.544 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.821 2.023 -6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.431 3.448 -5.695 1.00 0.00 H new ATOM 221 N LEU A 16 -3.950 2.200 -2.068 1.00 0.00 N ATOM 222 CA LEU A 16 -3.655 2.861 -0.765 1.00 0.00 C ATOM 223 C LEU A 16 -2.232 3.421 -0.779 1.00 0.00 C ATOM 224 O LEU A 16 -1.267 2.724 -1.044 1.00 0.00 O ATOM 225 CB LEU A 16 -3.864 1.899 0.425 1.00 0.00 C ATOM 226 CG LEU A 16 -2.883 0.718 0.408 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.273 -0.262 1.518 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.970 -0.006 -0.931 1.00 0.00 C ATOM 0 H LEU A 16 -3.198 1.629 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.357 3.684 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.747 2.450 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.885 1.519 0.405 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.869 1.087 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.584 -1.106 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.226 0.243 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.287 -0.622 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.272 -0.843 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.984 -0.378 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.716 0.685 -1.735 1.00 0.00 H new ATOM 240 N TYR A 17 -2.111 4.693 -0.500 1.00 0.00 N ATOM 241 CA TYR A 17 -0.775 5.345 -0.494 1.00 0.00 C ATOM 242 C TYR A 17 -0.067 4.961 0.798 1.00 0.00 C ATOM 243 O TYR A 17 -0.404 5.439 1.860 1.00 0.00 O ATOM 244 CB TYR A 17 -0.965 6.869 -0.542 1.00 0.00 C ATOM 245 CG TYR A 17 0.369 7.566 -0.708 1.00 0.00 C ATOM 246 CD1 TYR A 17 1.539 6.818 -0.864 1.00 0.00 C ATOM 247 CD2 TYR A 17 0.431 8.966 -0.706 1.00 0.00 C ATOM 248 CE1 TYR A 17 2.772 7.464 -1.018 1.00 0.00 C ATOM 249 CE2 TYR A 17 1.663 9.614 -0.861 1.00 0.00 C ATOM 250 CZ TYR A 17 2.834 8.862 -1.017 1.00 0.00 C ATOM 251 OH TYR A 17 4.049 9.501 -1.171 1.00 0.00 O ATOM 0 H TYR A 17 -2.891 5.311 -0.274 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.186 5.027 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.625 7.133 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.448 7.210 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.492 5.739 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.472 9.546 -0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.675 6.883 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.710 10.693 -0.860 1.00 0.00 H new ATOM 0 HH TYR A 17 4.422 9.286 -2.051 1.00 0.00 H new ATOM 261 N VAL A 18 0.900 4.087 0.724 1.00 0.00 N ATOM 262 CA VAL A 18 1.601 3.662 1.964 1.00 0.00 C ATOM 263 C VAL A 18 2.752 4.619 2.268 1.00 0.00 C ATOM 264 O VAL A 18 3.794 4.580 1.646 1.00 0.00 O ATOM 265 CB VAL A 18 2.117 2.231 1.796 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.998 1.356 1.224 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.310 2.210 0.841 1.00 0.00 C ATOM 0 H VAL A 18 1.232 3.652 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 18 0.904 3.687 2.802 1.00 0.00 H new ATOM 0 HB VAL A 18 2.431 1.849 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.360 0.335 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.148 1.360 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.688 1.749 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.669 1.187 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.004 2.596 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.109 2.833 1.243 1.00 0.00 H new ATOM 277 N THR A 19 2.565 5.486 3.226 1.00 0.00 N ATOM 278 CA THR A 19 3.647 6.453 3.573 1.00 0.00 C ATOM 279 C THR A 19 4.545 5.850 4.654 1.00 0.00 C ATOM 280 O THR A 19 4.219 4.848 5.259 1.00 0.00 O ATOM 281 CB THR A 19 3.032 7.756 4.090 1.00 0.00 C ATOM 282 OG1 THR A 19 2.547 7.561 5.410 1.00 0.00 O ATOM 283 CG2 THR A 19 1.880 8.177 3.178 1.00 0.00 C ATOM 0 H THR A 19 1.714 5.567 3.782 1.00 0.00 H new ATOM 0 HA THR A 19 4.239 6.663 2.682 1.00 0.00 H new ATOM 0 HB THR A 19 3.792 8.537 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.184 7.938 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.444 9.105 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.255 8.330 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.119 7.396 3.169 1.00 0.00 H new ATOM 291 N ASN A 20 5.674 6.453 4.904 1.00 0.00 N ATOM 292 CA ASN A 20 6.591 5.914 5.946 1.00 0.00 C ATOM 293 C ASN A 20 7.167 4.576 5.476 1.00 0.00 C ATOM 294 O ASN A 20 7.838 3.886 6.218 1.00 0.00 O ATOM 295 CB ASN A 20 5.822 5.708 7.253 1.00 0.00 C ATOM 296 CG ASN A 20 4.999 6.959 7.572 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.685 7.736 6.693 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.633 7.188 8.803 1.00 0.00 N ATOM 0 H ASN A 20 6.001 7.296 4.432 1.00 0.00 H new ATOM 0 HA ASN A 20 7.403 6.622 6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.166 4.842 7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.518 5.502 8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.084 8.018 9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.896 6.537 9.543 1.00 0.00 H new ATOM 305 N LEU A 21 6.916 4.204 4.250 1.00 0.00 N ATOM 306 CA LEU A 21 7.457 2.910 3.743 1.00 0.00 C ATOM 307 C LEU A 21 8.970 3.036 3.563 1.00 0.00 C ATOM 308 O LEU A 21 9.435 3.805 2.744 1.00 0.00 O ATOM 309 CB LEU A 21 6.809 2.566 2.398 1.00 0.00 C ATOM 310 CG LEU A 21 7.273 1.178 1.948 1.00 0.00 C ATOM 311 CD1 LEU A 21 6.156 0.493 1.158 1.00 0.00 C ATOM 312 CD2 LEU A 21 8.513 1.311 1.059 1.00 0.00 C ATOM 0 H LEU A 21 6.362 4.737 3.580 1.00 0.00 H new ATOM 0 HA LEU A 21 7.235 2.118 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.723 2.586 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.080 3.312 1.651 1.00 0.00 H new ATOM 0 HG LEU A 21 7.518 0.581 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.489 -0.495 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.273 0.392 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.909 1.093 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.840 0.321 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.270 1.912 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.313 1.795 1.620 1.00 0.00 H new ATOM 324 N PRO A 22 9.693 2.279 4.342 1.00 0.00 N ATOM 325 CA PRO A 22 11.165 2.345 4.236 1.00 0.00 C ATOM 326 C PRO A 22 11.613 1.958 2.826 1.00 0.00 C ATOM 327 O PRO A 22 11.054 1.075 2.207 1.00 0.00 O ATOM 328 CB PRO A 22 11.668 1.327 5.257 1.00 0.00 C ATOM 329 CG PRO A 22 10.513 0.335 5.483 1.00 0.00 C ATOM 330 CD PRO A 22 9.231 1.037 5.005 1.00 0.00 C ATOM 0 HA PRO A 22 11.553 3.346 4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.556 0.813 4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.948 1.817 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.680 -0.587 4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.436 0.063 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.671 0.407 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.569 1.260 5.842 1.00 0.00 H new ATOM 338 N ARG A 23 12.619 2.611 2.313 1.00 0.00 N ATOM 339 CA ARG A 23 13.101 2.278 0.944 1.00 0.00 C ATOM 340 C ARG A 23 14.173 1.191 1.032 1.00 0.00 C ATOM 341 O ARG A 23 15.054 1.106 0.200 1.00 0.00 O ATOM 342 CB ARG A 23 13.692 3.529 0.292 1.00 0.00 C ATOM 343 CG ARG A 23 14.817 4.080 1.168 1.00 0.00 C ATOM 344 CD ARG A 23 16.105 4.165 0.349 1.00 0.00 C ATOM 345 NE ARG A 23 17.230 4.579 1.236 1.00 0.00 N ATOM 346 CZ ARG A 23 17.322 5.818 1.637 1.00 0.00 C ATOM 347 NH1 ARG A 23 17.986 6.686 0.924 1.00 0.00 N ATOM 348 NH2 ARG A 23 16.749 6.189 2.750 1.00 0.00 N ATOM 0 H ARG A 23 13.128 3.360 2.783 1.00 0.00 H new ATOM 0 HA ARG A 23 12.267 1.917 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.074 3.288 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.917 4.284 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.548 5.066 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.966 3.436 2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.323 3.199 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.986 4.882 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 23 17.927 3.895 1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 23 18.433 6.396 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.058 7.654 1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.229 5.511 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.821 7.157 3.063 1.00 0.00 H new ATOM 362 N THR A 24 14.107 0.358 2.035 1.00 0.00 N ATOM 363 CA THR A 24 15.123 -0.722 2.171 1.00 0.00 C ATOM 364 C THR A 24 14.524 -2.047 1.692 1.00 0.00 C ATOM 365 O THR A 24 15.082 -3.104 1.905 1.00 0.00 O ATOM 366 CB THR A 24 15.542 -0.848 3.638 1.00 0.00 C ATOM 367 OG1 THR A 24 14.939 0.196 4.393 1.00 0.00 O ATOM 368 CG2 THR A 24 17.065 -0.741 3.746 1.00 0.00 C ATOM 0 H THR A 24 13.394 0.379 2.764 1.00 0.00 H new ATOM 0 HA THR A 24 15.996 -0.479 1.566 1.00 0.00 H new ATOM 0 HB THR A 24 15.218 -1.813 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.205 0.116 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 24 17.363 -0.831 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 24 17.528 -1.540 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.390 0.224 3.358 1.00 0.00 H new ATOM 376 N ILE A 25 13.392 -1.997 1.044 1.00 0.00 N ATOM 377 CA ILE A 25 12.758 -3.251 0.548 1.00 0.00 C ATOM 378 C ILE A 25 12.385 -3.079 -0.926 1.00 0.00 C ATOM 379 O ILE A 25 12.448 -1.993 -1.466 1.00 0.00 O ATOM 380 CB ILE A 25 11.497 -3.548 1.365 1.00 0.00 C ATOM 381 CG1 ILE A 25 10.749 -2.240 1.637 1.00 0.00 C ATOM 382 CG2 ILE A 25 11.888 -4.198 2.693 1.00 0.00 C ATOM 383 CD1 ILE A 25 10.019 -1.796 0.367 1.00 0.00 C ATOM 0 H ILE A 25 12.878 -1.140 0.837 1.00 0.00 H new ATOM 0 HA ILE A 25 13.458 -4.080 0.654 1.00 0.00 H new ATOM 0 HB ILE A 25 10.853 -4.227 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.036 -2.379 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.449 -1.468 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.990 -4.409 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.422 -5.129 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.532 -3.521 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.486 -0.865 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.743 -1.641 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.307 -2.566 0.068 1.00 0.00 H new ATOM 395 N THR A 26 11.997 -4.139 -1.580 1.00 0.00 N ATOM 396 CA THR A 26 11.623 -4.027 -3.016 1.00 0.00 C ATOM 397 C THR A 26 10.128 -4.310 -3.174 1.00 0.00 C ATOM 398 O THR A 26 9.526 -5.004 -2.377 1.00 0.00 O ATOM 399 CB THR A 26 12.422 -5.046 -3.840 1.00 0.00 C ATOM 400 OG1 THR A 26 11.698 -6.267 -3.908 1.00 0.00 O ATOM 401 CG2 THR A 26 13.783 -5.291 -3.183 1.00 0.00 C ATOM 0 H THR A 26 11.923 -5.075 -1.182 1.00 0.00 H new ATOM 0 HA THR A 26 11.847 -3.021 -3.370 1.00 0.00 H new ATOM 0 HB THR A 26 12.577 -4.657 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.153 -6.883 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.346 -6.015 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.337 -4.354 -3.134 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.636 -5.679 -2.175 1.00 0.00 H new ATOM 409 N ASP A 27 9.524 -3.774 -4.198 1.00 0.00 N ATOM 410 CA ASP A 27 8.067 -4.014 -4.407 1.00 0.00 C ATOM 411 C ASP A 27 7.791 -5.516 -4.315 1.00 0.00 C ATOM 412 O ASP A 27 7.174 -5.985 -3.378 1.00 0.00 O ATOM 413 CB ASP A 27 7.630 -3.497 -5.787 1.00 0.00 C ATOM 414 CG ASP A 27 8.819 -3.475 -6.752 1.00 0.00 C ATOM 415 OD1 ASP A 27 9.564 -2.509 -6.720 1.00 0.00 O ATOM 416 OD2 ASP A 27 8.961 -4.419 -7.509 1.00 0.00 O ATOM 0 H ASP A 27 9.973 -3.182 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 27 7.504 -3.482 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.841 -4.133 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.213 -2.494 -5.691 1.00 0.00 H new ATOM 421 N ASP A 28 8.248 -6.276 -5.275 1.00 0.00 N ATOM 422 CA ASP A 28 8.015 -7.749 -5.241 1.00 0.00 C ATOM 423 C ASP A 28 8.228 -8.269 -3.820 1.00 0.00 C ATOM 424 O ASP A 28 7.651 -9.260 -3.419 1.00 0.00 O ATOM 425 CB ASP A 28 8.996 -8.444 -6.186 1.00 0.00 C ATOM 426 CG ASP A 28 10.384 -7.819 -6.032 1.00 0.00 C ATOM 427 OD1 ASP A 28 11.138 -8.299 -5.201 1.00 0.00 O ATOM 428 OD2 ASP A 28 10.668 -6.873 -6.747 1.00 0.00 O ATOM 0 H ASP A 28 8.773 -5.939 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 28 6.993 -7.959 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.039 -9.510 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.655 -8.348 -7.217 1.00 0.00 H new ATOM 433 N GLN A 29 9.052 -7.613 -3.051 1.00 0.00 N ATOM 434 CA GLN A 29 9.292 -8.083 -1.659 1.00 0.00 C ATOM 435 C GLN A 29 7.988 -8.008 -0.865 1.00 0.00 C ATOM 436 O GLN A 29 7.474 -9.011 -0.411 1.00 0.00 O ATOM 437 CB GLN A 29 10.361 -7.217 -0.988 1.00 0.00 C ATOM 438 CG GLN A 29 11.424 -8.124 -0.360 1.00 0.00 C ATOM 439 CD GLN A 29 12.504 -7.275 0.316 1.00 0.00 C ATOM 440 OE1 GLN A 29 13.168 -6.488 -0.327 1.00 0.00 O ATOM 441 NE2 GLN A 29 12.716 -7.407 1.598 1.00 0.00 N ATOM 0 H GLN A 29 9.567 -6.776 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 29 9.642 -9.115 -1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.820 -6.552 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.907 -6.585 -0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.962 -8.788 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.873 -8.756 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.160 -8.067 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.437 -6.850 2.056 1.00 0.00 H new ATOM 450 N LEU A 30 7.437 -6.836 -0.693 1.00 0.00 N ATOM 451 CA LEU A 30 6.161 -6.735 0.073 1.00 0.00 C ATOM 452 C LEU A 30 5.140 -7.704 -0.531 1.00 0.00 C ATOM 453 O LEU A 30 4.182 -8.089 0.106 1.00 0.00 O ATOM 454 CB LEU A 30 5.619 -5.303 0.007 1.00 0.00 C ATOM 455 CG LEU A 30 5.721 -4.655 1.392 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.168 -4.725 1.878 1.00 0.00 C ATOM 457 CD2 LEU A 30 5.287 -3.190 1.298 1.00 0.00 C ATOM 0 H LEU A 30 7.810 -5.954 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 30 6.342 -6.992 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.185 -4.722 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.582 -5.310 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 30 5.075 -5.184 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.244 -4.265 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.481 -5.767 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.813 -4.193 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.358 -2.726 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.936 -2.662 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.257 -3.138 0.946 1.00 0.00 H new ATOM 469 N ASP A 31 5.345 -8.113 -1.754 1.00 0.00 N ATOM 470 CA ASP A 31 4.392 -9.066 -2.388 1.00 0.00 C ATOM 471 C ASP A 31 4.469 -10.407 -1.656 1.00 0.00 C ATOM 472 O ASP A 31 3.462 -10.993 -1.307 1.00 0.00 O ATOM 473 CB ASP A 31 4.770 -9.268 -3.857 1.00 0.00 C ATOM 474 CG ASP A 31 3.646 -10.013 -4.577 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.091 -10.924 -3.984 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.359 -9.660 -5.709 1.00 0.00 O ATOM 0 H ASP A 31 6.130 -7.828 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 31 3.379 -8.667 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.945 -8.304 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.699 -9.833 -3.930 1.00 0.00 H new ATOM 481 N THR A 32 5.658 -10.893 -1.417 1.00 0.00 N ATOM 482 CA THR A 32 5.803 -12.191 -0.703 1.00 0.00 C ATOM 483 C THR A 32 5.343 -12.019 0.744 1.00 0.00 C ATOM 484 O THR A 32 4.734 -12.898 1.320 1.00 0.00 O ATOM 485 CB THR A 32 7.270 -12.631 -0.719 1.00 0.00 C ATOM 486 OG1 THR A 32 7.647 -12.977 -2.044 1.00 0.00 O ATOM 487 CG2 THR A 32 7.451 -13.842 0.200 1.00 0.00 C ATOM 0 H THR A 32 6.534 -10.446 -1.686 1.00 0.00 H new ATOM 0 HA THR A 32 5.196 -12.948 -1.199 1.00 0.00 H new ATOM 0 HB THR A 32 7.898 -11.813 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.586 -13.257 -2.054 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.495 -14.155 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.164 -13.573 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.823 -14.661 -0.150 1.00 0.00 H new ATOM 495 N ILE A 33 5.629 -10.891 1.336 1.00 0.00 N ATOM 496 CA ILE A 33 5.203 -10.668 2.744 1.00 0.00 C ATOM 497 C ILE A 33 3.671 -10.722 2.814 1.00 0.00 C ATOM 498 O ILE A 33 3.099 -11.068 3.828 1.00 0.00 O ATOM 499 CB ILE A 33 5.744 -9.310 3.238 1.00 0.00 C ATOM 500 CG1 ILE A 33 6.144 -9.433 4.710 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.689 -8.208 3.092 1.00 0.00 C ATOM 502 CD1 ILE A 33 7.608 -9.019 4.880 1.00 0.00 C ATOM 0 H ILE A 33 6.137 -10.118 0.906 1.00 0.00 H new ATOM 0 HA ILE A 33 5.607 -11.445 3.393 1.00 0.00 H new ATOM 0 HB ILE A 33 6.608 -9.042 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.503 -8.802 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.004 -10.459 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.099 -7.263 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.408 -8.110 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.809 -8.467 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.892 -9.107 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.242 -9.669 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.734 -7.986 4.556 1.00 0.00 H new ATOM 514 N PHE A 34 3.005 -10.397 1.736 1.00 0.00 N ATOM 515 CA PHE A 34 1.515 -10.447 1.741 1.00 0.00 C ATOM 516 C PHE A 34 1.064 -11.857 1.336 1.00 0.00 C ATOM 517 O PHE A 34 0.755 -12.675 2.180 1.00 0.00 O ATOM 518 CB PHE A 34 0.956 -9.407 0.760 1.00 0.00 C ATOM 519 CG PHE A 34 1.576 -8.065 1.053 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.939 -7.736 2.362 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.795 -7.151 0.013 1.00 0.00 C ATOM 522 CE1 PHE A 34 2.522 -6.495 2.635 1.00 0.00 C ATOM 523 CE2 PHE A 34 2.377 -5.908 0.287 1.00 0.00 C ATOM 524 CZ PHE A 34 2.742 -5.581 1.598 1.00 0.00 C ATOM 0 H PHE A 34 3.428 -10.100 0.856 1.00 0.00 H new ATOM 0 HA PHE A 34 1.139 -10.218 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.172 -9.704 -0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.128 -9.348 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.769 -8.441 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.515 -7.406 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.803 -6.241 3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.544 -5.202 -0.513 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.194 -4.623 1.810 1.00 0.00 H new ATOM 534 N GLY A 35 1.038 -12.151 0.059 1.00 0.00 N ATOM 535 CA GLY A 35 0.621 -13.512 -0.398 1.00 0.00 C ATOM 536 C GLY A 35 -0.528 -14.030 0.467 1.00 0.00 C ATOM 537 O GLY A 35 -0.324 -14.780 1.401 1.00 0.00 O ATOM 0 H GLY A 35 1.289 -11.504 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.311 -13.474 -1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.466 -14.198 -0.341 1.00 0.00 H new ATOM 541 N LYS A 36 -1.734 -13.639 0.165 1.00 0.00 N ATOM 542 CA LYS A 36 -2.893 -14.113 0.975 1.00 0.00 C ATOM 543 C LYS A 36 -4.199 -13.650 0.325 1.00 0.00 C ATOM 544 O LYS A 36 -5.192 -14.350 0.335 1.00 0.00 O ATOM 545 CB LYS A 36 -2.793 -13.531 2.387 1.00 0.00 C ATOM 546 CG LYS A 36 -2.690 -14.667 3.406 1.00 0.00 C ATOM 547 CD LYS A 36 -3.585 -14.353 4.607 1.00 0.00 C ATOM 548 CE LYS A 36 -4.668 -15.426 4.729 1.00 0.00 C ATOM 549 NZ LYS A 36 -4.430 -16.233 5.958 1.00 0.00 N ATOM 0 H LYS A 36 -1.968 -13.013 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.881 -15.202 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.921 -12.882 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.667 -12.916 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.993 -15.609 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.656 -14.787 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.989 -14.317 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.043 -13.371 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.653 -14.961 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.657 -16.070 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.166 -16.963 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.496 -16.688 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.461 -15.613 6.792 1.00 0.00 H new ATOM 563 N TYR A 37 -4.206 -12.472 -0.235 1.00 0.00 N ATOM 564 CA TYR A 37 -5.449 -11.958 -0.880 1.00 0.00 C ATOM 565 C TYR A 37 -5.270 -11.978 -2.399 1.00 0.00 C ATOM 566 O TYR A 37 -5.633 -12.928 -3.064 1.00 0.00 O ATOM 567 CB TYR A 37 -5.736 -10.519 -0.409 1.00 0.00 C ATOM 568 CG TYR A 37 -4.627 -10.026 0.497 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.372 -10.675 1.713 1.00 0.00 C ATOM 570 CD2 TYR A 37 -3.853 -8.921 0.119 1.00 0.00 C ATOM 571 CE1 TYR A 37 -3.347 -10.220 2.549 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.829 -8.466 0.958 1.00 0.00 C ATOM 573 CZ TYR A 37 -2.575 -9.117 2.171 1.00 0.00 C ATOM 574 OH TYR A 37 -1.564 -8.668 2.996 1.00 0.00 O ATOM 0 H TYR A 37 -3.405 -11.842 -0.274 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.290 -12.592 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.829 -9.859 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.688 -10.487 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.968 -11.527 2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.046 -8.421 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.152 -10.720 3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.234 -7.612 0.669 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.832 -9.320 3.001 1.00 0.00 H new ATOM 584 N GLY A 38 -4.703 -10.945 -2.951 1.00 0.00 N ATOM 585 CA GLY A 38 -4.486 -10.909 -4.422 1.00 0.00 C ATOM 586 C GLY A 38 -2.990 -10.763 -4.686 1.00 0.00 C ATOM 587 O GLY A 38 -2.200 -10.674 -3.768 1.00 0.00 O ATOM 0 H GLY A 38 -4.379 -10.121 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.865 -11.821 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.032 -10.076 -4.865 1.00 0.00 H new ATOM 591 N SER A 39 -2.589 -10.726 -5.923 1.00 0.00 N ATOM 592 CA SER A 39 -1.139 -10.573 -6.214 1.00 0.00 C ATOM 593 C SER A 39 -0.834 -9.098 -6.418 1.00 0.00 C ATOM 594 O SER A 39 0.113 -8.728 -7.083 1.00 0.00 O ATOM 595 CB SER A 39 -0.769 -11.362 -7.471 1.00 0.00 C ATOM 596 OG SER A 39 -1.296 -12.678 -7.370 1.00 0.00 O ATOM 0 H SER A 39 -3.196 -10.794 -6.740 1.00 0.00 H new ATOM 0 HA SER A 39 -0.554 -10.959 -5.379 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.166 -10.866 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.314 -11.399 -7.586 1.00 0.00 H new ATOM 0 HG SER A 39 -1.063 -13.187 -8.175 1.00 0.00 H new ATOM 602 N ILE A 40 -1.634 -8.261 -5.829 1.00 0.00 N ATOM 603 CA ILE A 40 -1.428 -6.791 -5.953 1.00 0.00 C ATOM 604 C ILE A 40 -1.433 -6.399 -7.434 1.00 0.00 C ATOM 605 O ILE A 40 -0.929 -7.112 -8.277 1.00 0.00 O ATOM 606 CB ILE A 40 -0.086 -6.424 -5.315 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.067 -6.914 -3.865 1.00 0.00 C ATOM 608 CG2 ILE A 40 0.098 -4.908 -5.338 1.00 0.00 C ATOM 609 CD1 ILE A 40 0.823 -8.153 -3.754 1.00 0.00 C ATOM 0 H ILE A 40 -2.434 -8.534 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.230 -6.255 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 40 0.722 -6.894 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.305 -6.127 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.079 -7.150 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.054 -4.651 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.080 -4.555 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.709 -4.435 -4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.836 -8.501 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.432 -8.941 -4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.837 -7.902 -4.064 1.00 0.00 H new ATOM 621 N VAL A 41 -2.000 -5.273 -7.771 1.00 0.00 N ATOM 622 CA VAL A 41 -2.017 -4.874 -9.205 1.00 0.00 C ATOM 623 C VAL A 41 -0.646 -4.291 -9.573 1.00 0.00 C ATOM 624 O VAL A 41 -0.324 -4.135 -10.733 1.00 0.00 O ATOM 625 CB VAL A 41 -3.125 -3.843 -9.455 1.00 0.00 C ATOM 626 CG1 VAL A 41 -4.485 -4.447 -9.097 1.00 0.00 C ATOM 627 CG2 VAL A 41 -2.885 -2.612 -8.592 1.00 0.00 C ATOM 0 H VAL A 41 -2.446 -4.621 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.220 -5.745 -9.828 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.116 -3.561 -10.508 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.269 -3.711 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.666 -5.327 -9.714 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.490 -4.734 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.674 -1.882 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.889 -2.899 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.920 -2.173 -8.845 1.00 0.00 H new ATOM 637 N GLN A 42 0.173 -3.998 -8.583 1.00 0.00 N ATOM 638 CA GLN A 42 1.545 -3.452 -8.853 1.00 0.00 C ATOM 639 C GLN A 42 2.064 -2.689 -7.622 1.00 0.00 C ATOM 640 O GLN A 42 1.566 -1.637 -7.279 1.00 0.00 O ATOM 641 CB GLN A 42 1.518 -2.503 -10.058 1.00 0.00 C ATOM 642 CG GLN A 42 2.817 -1.689 -10.106 1.00 0.00 C ATOM 643 CD GLN A 42 3.008 -1.112 -11.511 1.00 0.00 C ATOM 644 OE1 GLN A 42 2.310 -0.199 -11.907 1.00 0.00 O ATOM 645 NE2 GLN A 42 3.932 -1.610 -12.287 1.00 0.00 N ATOM 0 H GLN A 42 -0.053 -4.115 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 42 2.208 -4.290 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.401 -3.073 -10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.661 -1.834 -9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.781 -0.883 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.665 -2.322 -9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.518 -2.376 -11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.068 -1.233 -13.225 1.00 0.00 H new ATOM 654 N LYS A 43 3.080 -3.203 -6.975 1.00 0.00 N ATOM 655 CA LYS A 43 3.654 -2.498 -5.788 1.00 0.00 C ATOM 656 C LYS A 43 4.457 -1.290 -6.277 1.00 0.00 C ATOM 657 O LYS A 43 5.086 -1.341 -7.316 1.00 0.00 O ATOM 658 CB LYS A 43 4.600 -3.446 -5.040 1.00 0.00 C ATOM 659 CG LYS A 43 3.890 -4.055 -3.829 1.00 0.00 C ATOM 660 CD LYS A 43 4.361 -5.499 -3.636 1.00 0.00 C ATOM 661 CE LYS A 43 3.298 -6.455 -4.180 1.00 0.00 C ATOM 662 NZ LYS A 43 3.518 -6.666 -5.638 1.00 0.00 N ATOM 0 H LYS A 43 3.537 -4.082 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 43 2.850 -2.179 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.937 -4.238 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.488 -2.904 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.104 -3.469 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.810 -4.030 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.307 -5.657 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.538 -5.698 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.347 -7.408 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.303 -6.045 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.468 -7.682 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.785 -6.162 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.455 -6.301 -5.904 1.00 0.00 H new ATOM 676 N ASN A 44 4.451 -0.206 -5.548 1.00 0.00 N ATOM 677 CA ASN A 44 5.230 0.981 -6.005 1.00 0.00 C ATOM 678 C ASN A 44 6.064 1.548 -4.853 1.00 0.00 C ATOM 679 O ASN A 44 5.650 1.553 -3.711 1.00 0.00 O ATOM 680 CB ASN A 44 4.274 2.060 -6.517 1.00 0.00 C ATOM 681 CG ASN A 44 3.507 1.533 -7.731 1.00 0.00 C ATOM 682 OD1 ASN A 44 2.745 0.595 -7.622 1.00 0.00 O ATOM 683 ND2 ASN A 44 3.680 2.103 -8.893 1.00 0.00 N ATOM 0 H ASN A 44 3.948 -0.091 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 44 5.898 0.671 -6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.576 2.345 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.833 2.956 -6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.174 1.760 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.321 2.891 -8.984 1.00 0.00 H new ATOM 690 N ILE A 45 7.237 2.037 -5.156 1.00 0.00 N ATOM 691 CA ILE A 45 8.109 2.623 -4.100 1.00 0.00 C ATOM 692 C ILE A 45 8.587 3.999 -4.569 1.00 0.00 C ATOM 693 O ILE A 45 8.634 4.275 -5.751 1.00 0.00 O ATOM 694 CB ILE A 45 9.317 1.713 -3.865 1.00 0.00 C ATOM 695 CG1 ILE A 45 10.361 2.454 -3.025 1.00 0.00 C ATOM 696 CG2 ILE A 45 9.930 1.324 -5.210 1.00 0.00 C ATOM 697 CD1 ILE A 45 11.340 1.446 -2.421 1.00 0.00 C ATOM 0 H ILE A 45 7.630 2.055 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 45 7.551 2.719 -3.169 1.00 0.00 H new ATOM 0 HB ILE A 45 8.997 0.815 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.898 3.172 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.871 3.020 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.790 0.676 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.188 0.796 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.249 2.223 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.083 1.974 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.796 0.745 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.840 0.900 -3.221 1.00 0.00 H new ATOM 709 N LEU A 46 8.931 4.871 -3.661 1.00 0.00 N ATOM 710 CA LEU A 46 9.387 6.226 -4.082 1.00 0.00 C ATOM 711 C LEU A 46 9.995 6.961 -2.880 1.00 0.00 C ATOM 712 O LEU A 46 9.325 7.236 -1.904 1.00 0.00 O ATOM 713 CB LEU A 46 8.180 7.001 -4.635 1.00 0.00 C ATOM 714 CG LEU A 46 8.413 8.507 -4.518 1.00 0.00 C ATOM 715 CD1 LEU A 46 9.604 8.908 -5.390 1.00 0.00 C ATOM 716 CD2 LEU A 46 7.163 9.254 -4.988 1.00 0.00 C ATOM 0 H LEU A 46 8.917 4.706 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 46 10.149 6.145 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.015 6.732 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.279 6.723 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 46 8.621 8.763 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.771 9.982 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.495 8.376 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.397 8.652 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.328 10.328 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.955 8.998 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.314 8.969 -4.367 1.00 0.00 H new ATOM 728 N ARG A 47 11.259 7.285 -2.946 1.00 0.00 N ATOM 729 CA ARG A 47 11.903 8.004 -1.809 1.00 0.00 C ATOM 730 C ARG A 47 11.702 9.513 -1.971 1.00 0.00 C ATOM 731 O ARG A 47 11.462 10.221 -1.012 1.00 0.00 O ATOM 732 CB ARG A 47 13.403 7.686 -1.774 1.00 0.00 C ATOM 733 CG ARG A 47 13.969 7.658 -3.197 1.00 0.00 C ATOM 734 CD ARG A 47 14.145 6.208 -3.651 1.00 0.00 C ATOM 735 NE ARG A 47 15.579 5.820 -3.533 1.00 0.00 N ATOM 736 CZ ARG A 47 16.475 6.382 -4.301 1.00 0.00 C ATOM 737 NH1 ARG A 47 16.147 6.792 -5.496 1.00 0.00 N ATOM 738 NH2 ARG A 47 17.699 6.534 -3.873 1.00 0.00 N ATOM 0 H ARG A 47 11.872 7.083 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 47 11.445 7.677 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.928 8.435 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.567 6.723 -1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.298 8.183 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.926 8.178 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.527 5.548 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.811 6.096 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 47 15.862 5.115 -2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.191 6.674 -5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.847 7.230 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.956 6.214 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.398 6.973 -4.472 1.00 0.00 H new ATOM 888 N GLY A 56 10.773 8.627 2.979 1.00 0.00 N ATOM 889 CA GLY A 56 10.576 7.305 2.322 1.00 0.00 C ATOM 890 C GLY A 56 9.079 7.030 2.166 1.00 0.00 C ATOM 891 O GLY A 56 8.418 6.599 3.088 1.00 0.00 O ATOM 0 HA2 GLY A 56 11.062 7.296 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.041 6.519 2.917 1.00 0.00 H new ATOM 895 N VAL A 57 8.538 7.280 1.006 1.00 0.00 N ATOM 896 CA VAL A 57 7.083 7.033 0.796 1.00 0.00 C ATOM 897 C VAL A 57 6.898 5.967 -0.285 1.00 0.00 C ATOM 898 O VAL A 57 7.785 5.705 -1.071 1.00 0.00 O ATOM 899 CB VAL A 57 6.406 8.332 0.355 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.502 9.367 1.478 1.00 0.00 C ATOM 901 CG2 VAL A 57 7.107 8.873 -0.894 1.00 0.00 C ATOM 0 H VAL A 57 9.039 7.644 0.195 1.00 0.00 H new ATOM 0 HA VAL A 57 6.634 6.687 1.727 1.00 0.00 H new ATOM 0 HB VAL A 57 5.358 8.135 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.019 10.292 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.005 8.984 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.550 9.563 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.625 9.799 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.155 9.068 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.040 8.138 -1.696 1.00 0.00 H new ATOM 911 N ALA A 58 5.751 5.350 -0.333 1.00 0.00 N ATOM 912 CA ALA A 58 5.514 4.306 -1.368 1.00 0.00 C ATOM 913 C ALA A 58 4.021 4.213 -1.667 1.00 0.00 C ATOM 914 O ALA A 58 3.199 4.694 -0.917 1.00 0.00 O ATOM 915 CB ALA A 58 5.997 2.948 -0.855 1.00 0.00 C ATOM 0 H ALA A 58 4.969 5.523 0.298 1.00 0.00 H new ATOM 0 HA ALA A 58 6.060 4.574 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.821 2.188 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.063 3.001 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.451 2.686 0.052 1.00 0.00 H new ATOM 921 N PHE A 59 3.664 3.588 -2.752 1.00 0.00 N ATOM 922 CA PHE A 59 2.222 3.459 -3.090 1.00 0.00 C ATOM 923 C PHE A 59 1.889 1.993 -3.367 1.00 0.00 C ATOM 924 O PHE A 59 2.264 1.444 -4.385 1.00 0.00 O ATOM 925 CB PHE A 59 1.907 4.287 -4.338 1.00 0.00 C ATOM 926 CG PHE A 59 2.484 5.674 -4.190 1.00 0.00 C ATOM 927 CD1 PHE A 59 3.860 5.877 -4.345 1.00 0.00 C ATOM 928 CD2 PHE A 59 1.642 6.755 -3.905 1.00 0.00 C ATOM 929 CE1 PHE A 59 4.395 7.164 -4.214 1.00 0.00 C ATOM 930 CE2 PHE A 59 2.178 8.041 -3.774 1.00 0.00 C ATOM 931 CZ PHE A 59 3.554 8.246 -3.928 1.00 0.00 C ATOM 0 H PHE A 59 4.308 3.161 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 59 1.627 3.820 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.323 3.803 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.828 4.345 -4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.508 5.042 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.580 6.597 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.457 7.322 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.529 8.876 -3.554 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.967 9.239 -3.826 1.00 0.00 H new ATOM 941 N VAL A 60 1.164 1.358 -2.490 1.00 0.00 N ATOM 942 CA VAL A 60 0.789 -0.057 -2.746 1.00 0.00 C ATOM 943 C VAL A 60 -0.389 -0.022 -3.715 1.00 0.00 C ATOM 944 O VAL A 60 -1.410 0.577 -3.444 1.00 0.00 O ATOM 945 CB VAL A 60 0.412 -0.745 -1.420 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.711 -1.774 -1.628 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.641 -1.469 -0.868 1.00 0.00 C ATOM 0 H VAL A 60 0.818 1.754 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 60 1.613 -0.627 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 60 0.064 0.018 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.956 -2.243 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.595 -1.273 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.380 -2.536 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.383 -1.959 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.977 -2.216 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.440 -0.748 -0.694 1.00 0.00 H new ATOM 957 N ARG A 61 -0.251 -0.619 -4.858 1.00 0.00 N ATOM 958 CA ARG A 61 -1.364 -0.565 -5.834 1.00 0.00 C ATOM 959 C ARG A 61 -2.342 -1.721 -5.592 1.00 0.00 C ATOM 960 O ARG A 61 -2.122 -2.840 -6.008 1.00 0.00 O ATOM 961 CB ARG A 61 -0.793 -0.623 -7.252 1.00 0.00 C ATOM 962 CG ARG A 61 -1.797 0.006 -8.223 1.00 0.00 C ATOM 963 CD ARG A 61 -1.461 -0.395 -9.662 1.00 0.00 C ATOM 964 NE ARG A 61 -0.467 0.560 -10.230 1.00 0.00 N ATOM 965 CZ ARG A 61 -0.818 1.794 -10.474 1.00 0.00 C ATOM 966 NH1 ARG A 61 -1.487 2.081 -11.556 1.00 0.00 N ATOM 967 NH2 ARG A 61 -0.494 2.742 -9.637 1.00 0.00 N ATOM 0 H ARG A 61 0.575 -1.137 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.913 0.369 -5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.157 -0.091 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.593 -1.657 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.807 -0.318 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.777 1.091 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.060 -1.408 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.366 -0.398 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 61 0.485 0.250 -10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.737 1.341 -12.213 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.761 3.045 -11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.033 2.519 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.768 3.706 -9.827 1.00 0.00 H new ATOM 981 N TYR A 62 -3.431 -1.437 -4.925 1.00 0.00 N ATOM 982 CA TYR A 62 -4.461 -2.481 -4.647 1.00 0.00 C ATOM 983 C TYR A 62 -5.770 -2.036 -5.303 1.00 0.00 C ATOM 984 O TYR A 62 -6.677 -1.573 -4.644 1.00 0.00 O ATOM 985 CB TYR A 62 -4.676 -2.600 -3.134 1.00 0.00 C ATOM 986 CG TYR A 62 -3.789 -3.679 -2.564 1.00 0.00 C ATOM 987 CD1 TYR A 62 -2.414 -3.666 -2.816 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.346 -4.691 -1.774 1.00 0.00 C ATOM 989 CE1 TYR A 62 -1.594 -4.663 -2.276 1.00 0.00 C ATOM 990 CE2 TYR A 62 -3.528 -5.690 -1.235 1.00 0.00 C ATOM 991 CZ TYR A 62 -2.150 -5.677 -1.487 1.00 0.00 C ATOM 992 OH TYR A 62 -1.340 -6.660 -0.955 1.00 0.00 O ATOM 0 H TYR A 62 -3.653 -0.512 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.138 -3.445 -5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.457 -1.647 -2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.721 -2.830 -2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.985 -2.886 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.408 -4.701 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.531 -4.650 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.959 -6.470 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.842 -7.499 -0.893 1.00 0.00 H new ATOM 1002 N ASN A 63 -5.868 -2.142 -6.596 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.109 -1.687 -7.282 1.00 0.00 C ATOM 1004 C ASN A 63 -8.290 -2.593 -6.930 1.00 0.00 C ATOM 1005 O ASN A 63 -9.408 -2.331 -7.321 1.00 0.00 O ATOM 1006 CB ASN A 63 -6.897 -1.698 -8.793 1.00 0.00 C ATOM 1007 CG ASN A 63 -5.548 -1.059 -9.130 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -4.847 -0.595 -8.255 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -5.154 -1.016 -10.375 1.00 0.00 N ATOM 0 H ASN A 63 -5.146 -2.523 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.333 -0.674 -6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.929 -2.721 -9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.702 -1.153 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.257 -0.592 -10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.744 -1.406 -11.110 1.00 0.00 H new ATOM 1016 N LYS A 64 -8.065 -3.651 -6.200 1.00 0.00 N ATOM 1017 CA LYS A 64 -9.200 -4.551 -5.843 1.00 0.00 C ATOM 1018 C LYS A 64 -9.859 -4.059 -4.555 1.00 0.00 C ATOM 1019 O LYS A 64 -9.207 -3.535 -3.674 1.00 0.00 O ATOM 1020 CB LYS A 64 -8.688 -5.979 -5.643 1.00 0.00 C ATOM 1021 CG LYS A 64 -9.255 -6.883 -6.740 1.00 0.00 C ATOM 1022 CD LYS A 64 -10.585 -7.479 -6.275 1.00 0.00 C ATOM 1023 CE LYS A 64 -11.495 -7.710 -7.483 1.00 0.00 C ATOM 1024 NZ LYS A 64 -11.141 -9.005 -8.132 1.00 0.00 N ATOM 0 H LYS A 64 -7.153 -3.930 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.931 -4.542 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.598 -5.993 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.986 -6.349 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.401 -6.312 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.548 -7.680 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.411 -8.420 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.068 -6.806 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.539 -7.722 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.386 -6.892 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.759 -9.162 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.150 -8.977 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.267 -9.781 -7.451 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.150 -4.229 -4.432 1.00 0.00 N ATOM 1039 CA ARG A 65 -11.843 -3.774 -3.194 1.00 0.00 C ATOM 1040 C ARG A 65 -11.487 -4.725 -2.053 1.00 0.00 C ATOM 1041 O ARG A 65 -10.936 -4.326 -1.047 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.362 -3.775 -3.403 1.00 0.00 C ATOM 1043 CG ARG A 65 -13.707 -3.165 -4.766 1.00 0.00 C ATOM 1044 CD ARG A 65 -13.384 -1.670 -4.763 1.00 0.00 C ATOM 1045 NE ARG A 65 -14.023 -1.024 -3.582 1.00 0.00 N ATOM 1046 CZ ARG A 65 -15.275 -0.660 -3.636 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -15.710 0.034 -4.652 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -16.092 -0.992 -2.676 1.00 0.00 N ATOM 0 H ARG A 65 -11.751 -4.662 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.524 -2.760 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.744 -4.794 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.846 -3.207 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.143 -3.666 -5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.764 -3.317 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.305 -1.521 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.744 -1.208 -5.682 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.482 -0.866 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.071 0.292 -5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.689 0.318 -4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.753 -1.536 -1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.071 -0.708 -2.718 1.00 0.00 H new ATOM 1062 N GLU A 66 -11.786 -5.985 -2.208 1.00 0.00 N ATOM 1063 CA GLU A 66 -11.451 -6.961 -1.136 1.00 0.00 C ATOM 1064 C GLU A 66 -9.951 -6.883 -0.848 1.00 0.00 C ATOM 1065 O GLU A 66 -9.528 -6.834 0.292 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.817 -8.373 -1.597 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.672 -9.348 -0.427 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.974 -10.770 -0.906 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -13.137 -11.140 -0.908 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -11.037 -11.464 -1.264 1.00 0.00 O ATOM 0 H GLU A 66 -12.246 -6.379 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.012 -6.726 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.840 -8.390 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.170 -8.677 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.662 -9.297 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.354 -9.071 0.377 1.00 0.00 H new ATOM 1077 N GLU A 67 -9.138 -6.859 -1.872 1.00 0.00 N ATOM 1078 CA GLU A 67 -7.671 -6.772 -1.637 1.00 0.00 C ATOM 1079 C GLU A 67 -7.387 -5.586 -0.723 1.00 0.00 C ATOM 1080 O GLU A 67 -6.605 -5.680 0.198 1.00 0.00 O ATOM 1081 CB GLU A 67 -6.937 -6.583 -2.965 1.00 0.00 C ATOM 1082 CG GLU A 67 -6.681 -7.950 -3.600 1.00 0.00 C ATOM 1083 CD GLU A 67 -8.018 -8.632 -3.897 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -8.692 -9.009 -2.951 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -8.345 -8.766 -5.064 1.00 0.00 O ATOM 0 H GLU A 67 -9.425 -6.896 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.322 -7.693 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.531 -5.963 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.993 -6.063 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.107 -7.834 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.086 -8.569 -2.929 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.020 -4.467 -0.955 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.774 -3.293 -0.074 1.00 0.00 C ATOM 1094 C ALA A 68 -8.197 -3.649 1.346 1.00 0.00 C ATOM 1095 O ALA A 68 -7.530 -3.315 2.299 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.577 -2.091 -0.557 1.00 0.00 C ATOM 0 H ALA A 68 -8.690 -4.317 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.715 -3.038 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.387 -1.240 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.279 -1.840 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.640 -2.332 -0.539 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.293 -4.339 1.501 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.717 -4.723 2.873 1.00 0.00 C ATOM 1104 C GLN A 69 -8.527 -5.394 3.549 1.00 0.00 C ATOM 1105 O GLN A 69 -8.335 -5.305 4.746 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.895 -5.699 2.802 1.00 0.00 C ATOM 1107 CG GLN A 69 -12.100 -5.097 3.528 1.00 0.00 C ATOM 1108 CD GLN A 69 -13.391 -5.618 2.892 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -14.047 -6.481 3.441 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -13.786 -5.127 1.750 1.00 0.00 N ATOM 0 H GLN A 69 -9.905 -4.649 0.747 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.035 -3.846 3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.149 -5.904 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.621 -6.651 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.070 -5.361 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.067 -4.009 3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.236 -4.403 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.645 -5.467 1.318 1.00 0.00 H new ATOM 1119 N GLU A 70 -7.716 -6.057 2.769 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.517 -6.734 3.329 1.00 0.00 C ATOM 1121 C GLU A 70 -5.406 -5.710 3.536 1.00 0.00 C ATOM 1122 O GLU A 70 -5.081 -5.353 4.644 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.033 -7.797 2.344 1.00 0.00 C ATOM 1124 CG GLU A 70 -6.890 -9.053 2.498 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.342 -8.723 2.154 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -9.006 -8.124 2.985 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -8.765 -9.071 1.065 1.00 0.00 O ATOM 0 H GLU A 70 -7.836 -6.158 1.761 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.774 -7.198 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.099 -7.421 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.985 -8.032 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.520 -9.842 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.823 -9.429 3.519 1.00 0.00 H new ATOM 1134 N ALA A 71 -4.817 -5.249 2.467 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.712 -4.254 2.570 1.00 0.00 C ATOM 1136 C ALA A 71 -3.975 -3.268 3.718 1.00 0.00 C ATOM 1137 O ALA A 71 -3.065 -2.737 4.319 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.601 -3.487 1.251 1.00 0.00 C ATOM 0 H ALA A 71 -5.058 -5.523 1.514 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.780 -4.782 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.794 -2.758 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.390 -4.185 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.540 -2.971 1.050 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.210 -3.018 4.036 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.499 -2.076 5.148 1.00 0.00 C ATOM 1146 C ILE A 72 -5.355 -2.821 6.476 1.00 0.00 C ATOM 1147 O ILE A 72 -4.488 -2.515 7.272 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.915 -1.517 4.996 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.971 -0.675 3.708 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -7.253 -0.654 6.217 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -8.035 0.424 3.822 1.00 0.00 C ATOM 0 H ILE A 72 -6.027 -3.421 3.578 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.797 -1.243 5.125 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.642 -2.326 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.996 -0.225 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.196 -1.318 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.261 -0.254 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.196 -1.262 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.542 0.169 6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.057 1.006 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.012 -0.031 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.794 1.079 4.659 1.00 0.00 H new ATOM 1163 N SER A 73 -6.176 -3.814 6.710 1.00 0.00 N ATOM 1164 CA SER A 73 -6.071 -4.594 7.983 1.00 0.00 C ATOM 1165 C SER A 73 -5.006 -5.689 7.836 1.00 0.00 C ATOM 1166 O SER A 73 -5.093 -6.740 8.440 1.00 0.00 O ATOM 1167 CB SER A 73 -7.421 -5.240 8.296 1.00 0.00 C ATOM 1168 OG SER A 73 -8.404 -4.225 8.449 1.00 0.00 O ATOM 0 H SER A 73 -6.914 -4.119 6.076 1.00 0.00 H new ATOM 0 HA SER A 73 -5.788 -3.922 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.706 -5.920 7.494 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.350 -5.834 9.207 1.00 0.00 H new ATOM 0 HG SER A 73 -9.271 -4.636 8.648 1.00 0.00 H new ATOM 1174 N ALA A 74 -4.004 -5.449 7.036 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.931 -6.458 6.834 1.00 0.00 C ATOM 1176 C ALA A 74 -1.642 -5.720 6.474 1.00 0.00 C ATOM 1177 O ALA A 74 -0.616 -5.900 7.099 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.320 -7.402 5.695 1.00 0.00 C ATOM 0 H ALA A 74 -3.883 -4.585 6.508 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.788 -7.044 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.532 -8.140 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.251 -7.910 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.455 -6.829 4.778 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.689 -4.869 5.479 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.464 -4.109 5.104 1.00 0.00 C ATOM 1186 C LEU A 75 -0.294 -2.943 6.079 1.00 0.00 C ATOM 1187 O LEU A 75 0.813 -2.587 6.422 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.574 -3.568 3.673 1.00 0.00 C ATOM 1189 CG LEU A 75 0.337 -4.379 2.757 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.464 -5.514 2.115 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.899 -3.472 1.660 1.00 0.00 C ATOM 0 H LEU A 75 -2.516 -4.671 4.916 1.00 0.00 H new ATOM 0 HA LEU A 75 0.398 -4.775 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.606 -3.630 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.292 -2.516 3.647 1.00 0.00 H new ATOM 0 HG LEU A 75 1.158 -4.796 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.187 -6.094 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.865 -6.162 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.285 -5.096 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.550 -4.052 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.078 -3.054 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.470 -2.662 2.114 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.377 -2.352 6.545 1.00 0.00 N ATOM 1204 CA ASN A 76 -1.244 -1.226 7.518 1.00 0.00 C ATOM 1205 C ASN A 76 -0.169 -1.601 8.536 1.00 0.00 C ATOM 1206 O ASN A 76 -0.424 -2.312 9.488 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.578 -1.011 8.235 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.377 -0.084 9.435 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -2.727 -0.427 10.546 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.824 1.084 9.257 1.00 0.00 N ATOM 0 H ASN A 76 -2.334 -2.601 6.293 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.969 -0.307 7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.305 -0.579 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.982 -1.968 8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.686 1.709 10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.530 1.372 8.324 1.00 0.00 H new ATOM 1217 N ASN A 77 1.039 -1.163 8.314 1.00 0.00 N ATOM 1218 CA ASN A 77 2.150 -1.522 9.234 1.00 0.00 C ATOM 1219 C ASN A 77 2.636 -2.927 8.866 1.00 0.00 C ATOM 1220 O ASN A 77 2.326 -3.897 9.531 1.00 0.00 O ATOM 1221 CB ASN A 77 1.668 -1.504 10.688 1.00 0.00 C ATOM 1222 CG ASN A 77 0.708 -0.329 10.907 1.00 0.00 C ATOM 1223 OD1 ASN A 77 -0.086 -0.345 11.826 1.00 0.00 O ATOM 1224 ND2 ASN A 77 0.747 0.696 10.100 1.00 0.00 N ATOM 0 H ASN A 77 1.304 -0.568 7.529 1.00 0.00 H new ATOM 0 HA ASN A 77 2.960 -0.799 9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.167 -2.443 10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.521 -1.418 11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.112 1.481 10.242 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.413 0.712 9.328 1.00 0.00 H new ATOM 1231 N VAL A 78 3.394 -3.044 7.803 1.00 0.00 N ATOM 1232 CA VAL A 78 3.898 -4.387 7.383 1.00 0.00 C ATOM 1233 C VAL A 78 5.238 -4.657 8.074 1.00 0.00 C ATOM 1234 O VAL A 78 6.147 -5.223 7.503 1.00 0.00 O ATOM 1235 CB VAL A 78 4.055 -4.422 5.846 1.00 0.00 C ATOM 1236 CG1 VAL A 78 2.972 -3.560 5.201 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.432 -3.883 5.436 1.00 0.00 C ATOM 0 H VAL A 78 3.685 -2.268 7.209 1.00 0.00 H new ATOM 0 HA VAL A 78 3.189 -5.162 7.674 1.00 0.00 H new ATOM 0 HB VAL A 78 3.960 -5.455 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.084 -3.586 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.990 -3.946 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.068 -2.532 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.527 -3.914 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.537 -2.854 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.212 -4.497 5.886 1.00 0.00 H new ATOM 1247 N ILE A 79 5.347 -4.252 9.308 1.00 0.00 N ATOM 1248 CA ILE A 79 6.606 -4.459 10.082 1.00 0.00 C ATOM 1249 C ILE A 79 6.242 -4.561 11.565 1.00 0.00 C ATOM 1250 O ILE A 79 5.558 -3.705 12.092 1.00 0.00 O ATOM 1251 CB ILE A 79 7.544 -3.256 9.848 1.00 0.00 C ATOM 1252 CG1 ILE A 79 8.276 -3.429 8.514 1.00 0.00 C ATOM 1253 CG2 ILE A 79 8.591 -3.141 10.968 1.00 0.00 C ATOM 1254 CD1 ILE A 79 8.009 -2.214 7.625 1.00 0.00 C ATOM 0 H ILE A 79 4.605 -3.778 9.823 1.00 0.00 H new ATOM 0 HA ILE A 79 7.113 -5.370 9.763 1.00 0.00 H new ATOM 0 HB ILE A 79 6.935 -2.352 9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.347 -3.539 8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.938 -4.338 8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.237 -2.285 10.775 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.087 -3.007 11.925 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.192 -4.050 10.999 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.530 -2.337 6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.938 -2.125 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 79 8.369 -1.313 8.122 1.00 0.00 H new ATOM 1266 N PRO A 80 6.714 -5.603 12.196 1.00 0.00 N ATOM 1267 CA PRO A 80 6.398 -5.750 13.635 1.00 0.00 C ATOM 1268 C PRO A 80 6.569 -4.408 14.351 1.00 0.00 C ATOM 1269 O PRO A 80 7.573 -3.740 14.202 1.00 0.00 O ATOM 1270 CB PRO A 80 7.407 -6.776 14.150 1.00 0.00 C ATOM 1271 CG PRO A 80 8.589 -6.747 13.164 1.00 0.00 C ATOM 1272 CD PRO A 80 8.042 -6.167 11.849 1.00 0.00 C ATOM 0 HA PRO A 80 5.370 -6.068 13.809 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.735 -6.527 15.159 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.963 -7.770 14.196 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.403 -6.133 13.551 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.991 -7.748 13.010 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.705 -5.398 11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.955 -6.939 11.084 1.00 0.00 H new ATOM 1280 N GLU A 81 5.596 -4.005 15.123 1.00 0.00 N ATOM 1281 CA GLU A 81 5.705 -2.702 15.841 1.00 0.00 C ATOM 1282 C GLU A 81 7.082 -2.595 16.500 1.00 0.00 C ATOM 1283 O GLU A 81 7.332 -3.183 17.535 1.00 0.00 O ATOM 1284 CB GLU A 81 4.616 -2.613 16.912 1.00 0.00 C ATOM 1285 CG GLU A 81 3.240 -2.746 16.257 1.00 0.00 C ATOM 1286 CD GLU A 81 2.171 -2.896 17.340 1.00 0.00 C ATOM 1287 OE1 GLU A 81 2.323 -3.770 18.177 1.00 0.00 O ATOM 1288 OE2 GLU A 81 1.216 -2.136 17.313 1.00 0.00 O ATOM 0 H GLU A 81 4.731 -4.521 15.288 1.00 0.00 H new ATOM 0 HA GLU A 81 5.579 -1.886 15.130 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.755 -3.401 17.653 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.688 -1.662 17.440 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.031 -1.869 15.644 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.224 -3.610 15.593 1.00 0.00 H new ATOM 1295 N GLY A 82 7.977 -1.850 15.910 1.00 0.00 N ATOM 1296 CA GLY A 82 9.338 -1.709 16.504 1.00 0.00 C ATOM 1297 C GLY A 82 9.976 -0.403 16.025 1.00 0.00 C ATOM 1298 O GLY A 82 11.181 -0.244 16.053 1.00 0.00 O ATOM 0 H GLY A 82 7.825 -1.333 15.044 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.273 -1.716 17.592 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.961 -2.556 16.216 1.00 0.00 H new ATOM 1302 N GLY A 83 9.180 0.534 15.585 1.00 0.00 N ATOM 1303 CA GLY A 83 9.744 1.829 15.105 1.00 0.00 C ATOM 1304 C GLY A 83 10.504 1.609 13.798 1.00 0.00 C ATOM 1305 O GLY A 83 11.348 2.396 13.417 1.00 0.00 O ATOM 0 H GLY A 83 8.164 0.459 15.537 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.942 2.551 14.953 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.411 2.247 15.859 1.00 0.00 H new ATOM 1309 N SER A 84 10.212 0.544 13.105 1.00 0.00 N ATOM 1310 CA SER A 84 10.916 0.274 11.821 1.00 0.00 C ATOM 1311 C SER A 84 10.159 0.958 10.677 1.00 0.00 C ATOM 1312 O SER A 84 10.359 0.655 9.518 1.00 0.00 O ATOM 1313 CB SER A 84 10.973 -1.238 11.585 1.00 0.00 C ATOM 1314 OG SER A 84 10.624 -1.527 10.237 1.00 0.00 O ATOM 0 H SER A 84 9.516 -0.152 13.373 1.00 0.00 H new ATOM 0 HA SER A 84 11.932 0.667 11.863 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.974 -1.612 11.799 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.290 -1.748 12.265 1.00 0.00 H new ATOM 0 HG SER A 84 11.018 -0.853 9.645 1.00 0.00 H new ATOM 1320 N GLN A 85 9.291 1.881 10.998 1.00 0.00 N ATOM 1321 CA GLN A 85 8.520 2.586 9.935 1.00 0.00 C ATOM 1322 C GLN A 85 7.520 1.610 9.310 1.00 0.00 C ATOM 1323 O GLN A 85 7.897 0.557 8.836 1.00 0.00 O ATOM 1324 CB GLN A 85 9.485 3.108 8.870 1.00 0.00 C ATOM 1325 CG GLN A 85 10.629 3.859 9.555 1.00 0.00 C ATOM 1326 CD GLN A 85 11.480 4.565 8.500 1.00 0.00 C ATOM 1327 OE1 GLN A 85 11.430 5.772 8.369 1.00 0.00 O ATOM 1328 NE2 GLN A 85 12.264 3.857 7.734 1.00 0.00 N ATOM 0 H GLN A 85 9.083 2.177 11.952 1.00 0.00 H new ATOM 0 HA GLN A 85 7.978 3.429 10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.879 2.280 8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.961 3.769 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.229 4.587 10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.243 3.164 10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.306 2.844 7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.835 4.317 7.025 1.00 0.00 H new ATOM 1337 N PRO A 86 6.268 1.986 9.350 1.00 0.00 N ATOM 1338 CA PRO A 86 5.234 1.086 8.789 1.00 0.00 C ATOM 1339 C PRO A 86 4.621 1.654 7.503 1.00 0.00 C ATOM 1340 O PRO A 86 5.114 2.604 6.928 1.00 0.00 O ATOM 1341 CB PRO A 86 4.178 0.996 9.890 1.00 0.00 C ATOM 1342 CG PRO A 86 4.350 2.250 10.766 1.00 0.00 C ATOM 1343 CD PRO A 86 5.768 2.779 10.500 1.00 0.00 C ATOM 0 HA PRO A 86 5.648 0.116 8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.176 0.956 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.310 0.089 10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.602 3.003 10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.218 2.007 11.820 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.754 3.844 10.268 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.407 2.651 11.374 1.00 0.00 H new ATOM 1351 N LEU A 87 3.544 1.059 7.050 1.00 0.00 N ATOM 1352 CA LEU A 87 2.875 1.527 5.803 1.00 0.00 C ATOM 1353 C LEU A 87 1.589 2.280 6.152 1.00 0.00 C ATOM 1354 O LEU A 87 0.633 1.698 6.626 1.00 0.00 O ATOM 1355 CB LEU A 87 2.495 0.309 4.955 1.00 0.00 C ATOM 1356 CG LEU A 87 3.495 0.115 3.816 1.00 0.00 C ATOM 1357 CD1 LEU A 87 4.622 -0.801 4.280 1.00 0.00 C ATOM 1358 CD2 LEU A 87 2.775 -0.527 2.627 1.00 0.00 C ATOM 0 H LEU A 87 3.097 0.260 7.499 1.00 0.00 H new ATOM 0 HA LEU A 87 3.555 2.183 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.470 -0.583 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.493 0.441 4.548 1.00 0.00 H new ATOM 0 HG LEU A 87 3.911 1.079 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.336 -0.940 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.128 -0.352 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.209 -1.767 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.480 -0.670 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.367 -1.492 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.964 0.123 2.298 1.00 0.00 H new ATOM 1370 N SER A 88 1.536 3.557 5.895 1.00 0.00 N ATOM 1371 CA SER A 88 0.285 4.312 6.187 1.00 0.00 C ATOM 1372 C SER A 88 -0.688 4.037 5.041 1.00 0.00 C ATOM 1373 O SER A 88 -0.505 4.514 3.943 1.00 0.00 O ATOM 1374 CB SER A 88 0.593 5.808 6.275 1.00 0.00 C ATOM 1375 OG SER A 88 0.100 6.467 5.113 1.00 0.00 O ATOM 0 H SER A 88 2.298 4.107 5.499 1.00 0.00 H new ATOM 0 HA SER A 88 -0.148 4.000 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.134 6.232 7.168 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.668 5.963 6.365 1.00 0.00 H new ATOM 0 HG SER A 88 0.130 5.852 4.351 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.695 3.240 5.279 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.651 2.883 4.188 1.00 0.00 C ATOM 1383 C VAL A 89 -3.651 4.019 3.928 1.00 0.00 C ATOM 1384 O VAL A 89 -3.462 5.130 4.378 1.00 0.00 O ATOM 1385 CB VAL A 89 -3.391 1.606 4.596 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -2.427 0.421 4.517 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.897 1.748 6.032 1.00 0.00 C ATOM 0 H VAL A 89 -1.898 2.819 6.185 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.098 2.721 3.263 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.235 1.442 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.948 -0.492 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.058 0.320 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.588 0.589 5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.424 0.840 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.052 1.908 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.576 2.598 6.096 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.693 3.733 3.170 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.725 4.764 2.810 1.00 0.00 C ATOM 1399 C ARG A 90 -5.373 5.368 1.445 1.00 0.00 C ATOM 1400 O ARG A 90 -4.321 5.947 1.263 1.00 0.00 O ATOM 1401 CB ARG A 90 -5.786 5.871 3.866 1.00 0.00 C ATOM 1402 CG ARG A 90 -7.033 6.729 3.640 1.00 0.00 C ATOM 1403 CD ARG A 90 -6.612 8.142 3.225 1.00 0.00 C ATOM 1404 NE ARG A 90 -7.174 9.133 4.186 1.00 0.00 N ATOM 1405 CZ ARG A 90 -6.808 9.109 5.438 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -7.472 8.385 6.297 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -5.781 9.814 5.831 1.00 0.00 N ATOM 0 H ARG A 90 -4.872 2.808 2.779 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.703 4.284 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.809 5.434 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.891 6.491 3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.659 6.283 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.630 6.769 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.525 8.217 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.966 8.357 2.217 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.845 9.830 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.276 7.838 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.187 8.366 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.266 10.383 5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.494 9.796 6.810 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.245 5.222 0.480 1.00 0.00 N ATOM 1422 CA LEU A 91 -5.966 5.768 -0.883 1.00 0.00 C ATOM 1423 C LEU A 91 -5.513 7.226 -0.790 1.00 0.00 C ATOM 1424 O LEU A 91 -5.623 7.861 0.241 1.00 0.00 O ATOM 1425 CB LEU A 91 -7.237 5.695 -1.737 1.00 0.00 C ATOM 1426 CG LEU A 91 -6.872 5.280 -3.165 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -7.880 4.245 -3.671 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -6.907 6.504 -4.081 1.00 0.00 C ATOM 0 H LEU A 91 -7.142 4.746 0.578 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.175 5.174 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.936 4.978 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.738 6.663 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.871 4.850 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.620 3.950 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.859 3.369 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.880 4.678 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.647 6.206 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.908 6.935 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.191 7.245 -3.726 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.009 7.759 -1.871 1.00 0.00 N ATOM 1441 CA ALA A 92 -4.547 9.175 -1.874 1.00 0.00 C ATOM 1442 C ALA A 92 -4.742 9.758 -3.278 1.00 0.00 C ATOM 1443 O ALA A 92 -5.555 9.286 -4.047 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.064 9.229 -1.501 1.00 0.00 C ATOM 0 H ALA A 92 -4.897 7.269 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.121 9.753 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.726 10.265 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.923 8.803 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.485 8.657 -2.226 1.00 0.00 H new ATOM 1450 N GLU A 93 -4.002 10.776 -3.622 1.00 0.00 N ATOM 1451 CA GLU A 93 -4.146 11.378 -4.980 1.00 0.00 C ATOM 1452 C GLU A 93 -5.624 11.638 -5.276 1.00 0.00 C ATOM 1453 O GLU A 93 -6.471 11.537 -4.410 1.00 0.00 O ATOM 1454 CB GLU A 93 -3.585 10.415 -6.028 1.00 0.00 C ATOM 1455 CG GLU A 93 -2.242 10.937 -6.541 1.00 0.00 C ATOM 1456 CD GLU A 93 -2.176 10.766 -8.059 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -2.242 9.635 -8.512 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -2.061 11.768 -8.744 1.00 0.00 O ATOM 0 H GLU A 93 -3.304 11.217 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.597 12.319 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.459 9.423 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.287 10.314 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.123 11.988 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.424 10.395 -6.067 1.00 0.00 H new ATOM 1465 N GLU A 94 -5.939 11.975 -6.497 1.00 0.00 N ATOM 1466 CA GLU A 94 -7.360 12.244 -6.856 1.00 0.00 C ATOM 1467 C GLU A 94 -7.717 11.485 -8.136 1.00 0.00 C ATOM 1468 O GLU A 94 -7.074 11.635 -9.157 1.00 0.00 O ATOM 1469 CB GLU A 94 -7.552 13.744 -7.086 1.00 0.00 C ATOM 1470 CG GLU A 94 -7.981 14.410 -5.778 1.00 0.00 C ATOM 1471 CD GLU A 94 -7.396 15.820 -5.711 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -7.015 16.332 -6.751 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -7.337 16.365 -4.621 1.00 0.00 O ATOM 0 H GLU A 94 -5.272 12.076 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.007 11.913 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.624 14.189 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.305 13.911 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.069 14.452 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.638 13.821 -4.927 1.00 0.00 H new ATOM 1480 N HIS A 95 -8.737 10.673 -8.092 1.00 0.00 N ATOM 1481 CA HIS A 95 -9.134 9.909 -9.308 1.00 0.00 C ATOM 1482 C HIS A 95 -7.952 9.069 -9.793 1.00 0.00 C ATOM 1483 O HIS A 95 -6.965 9.587 -10.278 1.00 0.00 O ATOM 1484 CB HIS A 95 -9.553 10.886 -10.408 1.00 0.00 C ATOM 1485 CG HIS A 95 -10.990 10.636 -10.778 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -11.574 9.384 -10.663 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -11.973 11.465 -11.257 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -12.853 9.495 -11.067 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -13.149 10.743 -11.439 1.00 0.00 N ATOM 0 H HIS A 95 -9.313 10.506 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 95 -9.970 9.252 -9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -9.428 11.913 -10.065 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -8.914 10.762 -11.282 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -11.852 12.519 -11.462 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -13.555 8.674 -11.088 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -14.044 11.092 -11.782 1.00 0.00 H new ATOM 1497 N GLY A 96 -8.047 7.775 -9.669 1.00 0.00 N ATOM 1498 CA GLY A 96 -6.934 6.895 -10.124 1.00 0.00 C ATOM 1499 C GLY A 96 -7.432 5.453 -10.218 1.00 0.00 C ATOM 1500 O GLY A 96 -8.561 5.199 -10.589 1.00 0.00 O ATOM 0 H GLY A 96 -8.850 7.287 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.566 7.228 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.098 6.958 -9.427 1.00 0.00 H new ATOM 1504 N LYS A 97 -6.602 4.505 -9.883 1.00 0.00 N ATOM 1505 CA LYS A 97 -7.032 3.081 -9.954 1.00 0.00 C ATOM 1506 C LYS A 97 -7.662 2.674 -8.621 1.00 0.00 C ATOM 1507 O LYS A 97 -8.878 2.620 -8.554 1.00 0.00 O ATOM 1508 CB LYS A 97 -5.819 2.194 -10.239 1.00 0.00 C ATOM 1509 CG LYS A 97 -4.862 2.930 -11.177 1.00 0.00 C ATOM 1510 CD LYS A 97 -5.642 3.485 -12.370 1.00 0.00 C ATOM 1511 CE LYS A 97 -4.824 3.293 -13.648 1.00 0.00 C ATOM 1512 NZ LYS A 97 -4.908 1.870 -14.081 1.00 0.00 N ATOM 1513 OXT LYS A 97 -6.915 2.423 -7.689 1.00 0.00 O ATOM 0 H LYS A 97 -5.645 4.655 -9.563 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.763 2.961 -10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.312 1.942 -9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.139 1.255 -10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.366 3.741 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.082 2.252 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.601 2.975 -12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.856 4.543 -12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.200 3.947 -14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.785 3.570 -13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.033 1.606 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.030 1.260 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.719 1.749 -14.720 1.00 0.00 H new