USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 576 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 28 SER OG : rot -3:sc= 0.957 USER MOD Set 1.2: A 30 ASN : amide:sc= -1.21 K(o=-0.25,f=-5.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.539 (180deg=-0.802) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.101 (180deg=-0.416) USER MOD Single : A 29 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.9) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 9:sc= -0.398 USER MOD Single : A 68 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.4) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.819 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.190 3.705 -3.565 1.00 55.52 N ATOM 178 CA LYS A 13 -0.593 4.288 -4.840 1.00 45.23 C ATOM 179 C LYS A 13 -0.926 3.199 -5.854 1.00 54.15 C ATOM 180 O LYS A 13 -1.769 3.391 -6.732 1.00 42.13 O ATOM 181 CB LYS A 13 0.518 5.187 -5.388 1.00 65.20 C ATOM 182 CG LYS A 13 0.164 6.664 -5.382 1.00 24.33 C ATOM 183 CD LYS A 13 1.394 7.533 -5.581 1.00 1.40 C ATOM 184 CE LYS A 13 1.187 8.543 -6.700 1.00 44.12 C ATOM 185 NZ LYS A 13 0.730 9.860 -6.180 1.00 13.21 N ATOM 0 HA LYS A 13 -1.487 4.888 -4.670 1.00 45.23 H new ATOM 0 HB2 LYS A 13 1.421 5.036 -4.796 1.00 65.20 H new ATOM 0 HB3 LYS A 13 0.751 4.882 -6.408 1.00 65.20 H new ATOM 0 HG2 LYS A 13 -0.559 6.869 -6.172 1.00 24.33 H new ATOM 0 HG3 LYS A 13 -0.315 6.920 -4.437 1.00 24.33 H new ATOM 0 HD2 LYS A 13 1.624 8.058 -4.654 1.00 1.40 H new ATOM 0 HD3 LYS A 13 2.253 6.903 -5.812 1.00 1.40 H new ATOM 0 HE2 LYS A 13 2.120 8.673 -7.249 1.00 44.12 H new ATOM 0 HE3 LYS A 13 0.452 8.157 -7.407 1.00 44.12 H new ATOM 0 HZ1 LYS A 13 0.600 10.520 -6.973 1.00 13.21 H new ATOM 0 HZ2 LYS A 13 -0.173 9.741 -5.678 1.00 13.21 H new ATOM 0 HZ3 LYS A 13 1.443 10.241 -5.525 1.00 13.21 H new ATOM 199 N LEU A 14 -0.261 2.056 -5.729 1.00 23.44 N ATOM 200 CA LEU A 14 -0.489 0.935 -6.634 1.00 12.12 C ATOM 201 C LEU A 14 -1.846 0.291 -6.373 1.00 72.54 C ATOM 202 O LEU A 14 -2.608 0.025 -7.303 1.00 63.52 O ATOM 203 CB LEU A 14 0.621 -0.106 -6.478 1.00 65.32 C ATOM 204 CG LEU A 14 1.895 0.145 -7.285 1.00 11.33 C ATOM 205 CD1 LEU A 14 1.580 0.222 -8.771 1.00 21.00 C ATOM 206 CD2 LEU A 14 2.580 1.422 -6.816 1.00 74.43 C ATOM 0 H LEU A 14 0.441 1.881 -5.010 1.00 23.44 H new ATOM 0 HA LEU A 14 -0.480 1.317 -7.655 1.00 12.12 H new ATOM 0 HB2 LEU A 14 0.889 -0.167 -5.423 1.00 65.32 H new ATOM 0 HB3 LEU A 14 0.221 -1.079 -6.762 1.00 65.32 H new ATOM 0 HG LEU A 14 2.576 -0.690 -7.122 1.00 11.33 H new ATOM 0 HD11 LEU A 14 2.499 0.401 -9.329 1.00 21.00 H new ATOM 0 HD12 LEU A 14 1.134 -0.718 -9.098 1.00 21.00 H new ATOM 0 HD13 LEU A 14 0.880 1.038 -8.953 1.00 21.00 H new ATOM 0 HD21 LEU A 14 3.485 1.585 -7.401 1.00 74.43 H new ATOM 0 HD22 LEU A 14 1.905 2.267 -6.949 1.00 74.43 H new ATOM 0 HD23 LEU A 14 2.841 1.329 -5.762 1.00 74.43 H new ATOM 218 N TYR A 15 -2.143 0.044 -5.102 1.00 72.32 N ATOM 219 CA TYR A 15 -3.409 -0.570 -4.718 1.00 14.12 C ATOM 220 C TYR A 15 -4.590 0.239 -5.247 1.00 53.33 C ATOM 221 O TYR A 15 -5.445 -0.283 -5.963 1.00 63.02 O ATOM 222 CB TYR A 15 -3.501 -0.690 -3.195 1.00 55.35 C ATOM 223 CG TYR A 15 -4.824 -1.236 -2.710 1.00 20.43 C ATOM 224 CD1 TYR A 15 -5.897 -0.390 -2.458 1.00 32.23 C ATOM 225 CD2 TYR A 15 -5.003 -2.599 -2.504 1.00 4.44 C ATOM 226 CE1 TYR A 15 -7.108 -0.883 -2.013 1.00 60.53 C ATOM 227 CE2 TYR A 15 -6.210 -3.102 -2.061 1.00 22.03 C ATOM 228 CZ TYR A 15 -7.260 -2.241 -1.816 1.00 41.21 C ATOM 229 OH TYR A 15 -8.465 -2.737 -1.375 1.00 44.13 O ATOM 0 H TYR A 15 -1.524 0.259 -4.320 1.00 72.32 H new ATOM 0 HA TYR A 15 -3.448 -1.567 -5.158 1.00 14.12 H new ATOM 0 HB2 TYR A 15 -2.699 -1.337 -2.841 1.00 55.35 H new ATOM 0 HB3 TYR A 15 -3.338 0.292 -2.751 1.00 55.35 H new ATOM 0 HD1 TYR A 15 -5.782 0.673 -2.613 1.00 32.23 H new ATOM 0 HD2 TYR A 15 -4.184 -3.276 -2.694 1.00 4.44 H new ATOM 0 HE1 TYR A 15 -7.931 -0.210 -1.820 1.00 60.53 H new ATOM 0 HE2 TYR A 15 -6.332 -4.164 -1.907 1.00 22.03 H new ATOM 0 HH TYR A 15 -8.406 -3.711 -1.289 1.00 44.13 H new ATOM 239 N LYS A 16 -4.629 1.518 -4.890 1.00 53.00 N ATOM 240 CA LYS A 16 -5.702 2.403 -5.329 1.00 10.03 C ATOM 241 C LYS A 16 -5.692 2.560 -6.845 1.00 51.34 C ATOM 242 O LYS A 16 -6.715 2.875 -7.454 1.00 4.12 O ATOM 243 CB LYS A 16 -5.565 3.774 -4.663 1.00 25.44 C ATOM 244 CG LYS A 16 -4.558 4.684 -5.345 1.00 35.43 C ATOM 245 CD LYS A 16 -3.929 5.657 -4.363 1.00 23.25 C ATOM 246 CE LYS A 16 -3.197 6.780 -5.081 1.00 60.44 C ATOM 247 NZ LYS A 16 -2.619 7.765 -4.126 1.00 3.20 N ATOM 0 H LYS A 16 -3.930 1.965 -4.297 1.00 53.00 H new ATOM 0 HA LYS A 16 -6.651 1.956 -5.034 1.00 10.03 H new ATOM 0 HB2 LYS A 16 -6.539 4.264 -4.656 1.00 25.44 H new ATOM 0 HB3 LYS A 16 -5.271 3.635 -3.623 1.00 25.44 H new ATOM 0 HG2 LYS A 16 -3.778 4.081 -5.810 1.00 35.43 H new ATOM 0 HG3 LYS A 16 -5.051 5.239 -6.143 1.00 35.43 H new ATOM 0 HD2 LYS A 16 -4.702 6.078 -3.721 1.00 23.25 H new ATOM 0 HD3 LYS A 16 -3.233 5.123 -3.716 1.00 23.25 H new ATOM 0 HE2 LYS A 16 -2.401 6.360 -5.696 1.00 60.44 H new ATOM 0 HE3 LYS A 16 -3.885 7.289 -5.756 1.00 60.44 H new ATOM 0 HZ1 LYS A 16 -1.964 8.395 -4.631 1.00 3.20 H new ATOM 0 HZ2 LYS A 16 -3.384 8.328 -3.703 1.00 3.20 H new ATOM 0 HZ3 LYS A 16 -2.105 7.261 -3.376 1.00 3.20 H new ATOM 261 N ASP A 17 -4.531 2.336 -7.451 1.00 65.14 N ATOM 262 CA ASP A 17 -4.388 2.449 -8.898 1.00 3.41 C ATOM 263 C ASP A 17 -4.971 1.227 -9.600 1.00 32.14 C ATOM 264 O ASP A 17 -5.267 1.266 -10.793 1.00 11.45 O ATOM 265 CB ASP A 17 -2.915 2.615 -9.275 1.00 53.14 C ATOM 266 CG ASP A 17 -2.690 2.548 -10.773 1.00 54.12 C ATOM 267 OD1 ASP A 17 -3.436 3.220 -11.515 1.00 14.10 O ATOM 268 OD2 ASP A 17 -1.768 1.823 -11.203 1.00 54.51 O ATOM 0 H ASP A 17 -3.675 2.075 -6.962 1.00 65.14 H new ATOM 0 HA ASP A 17 -4.940 3.330 -9.225 1.00 3.41 H new ATOM 0 HB2 ASP A 17 -2.552 3.571 -8.898 1.00 53.14 H new ATOM 0 HB3 ASP A 17 -2.328 1.837 -8.787 1.00 53.14 H new ATOM 273 N GLY A 18 -5.134 0.142 -8.850 1.00 24.21 N ATOM 274 CA GLY A 18 -5.680 -1.078 -9.417 1.00 5.43 C ATOM 275 C GLY A 18 -4.686 -2.221 -9.400 1.00 63.00 C ATOM 276 O GLY A 18 -4.534 -2.937 -10.390 1.00 53.22 O ATOM 0 H GLY A 18 -4.898 0.085 -7.859 1.00 24.21 H new ATOM 0 HA2 GLY A 18 -6.571 -1.367 -8.859 1.00 5.43 H new ATOM 0 HA3 GLY A 18 -5.994 -0.889 -10.444 1.00 5.43 H new ATOM 280 N VAL A 19 -4.003 -2.393 -8.272 1.00 63.24 N ATOM 281 CA VAL A 19 -3.017 -3.458 -8.131 1.00 3.02 C ATOM 282 C VAL A 19 -3.355 -4.369 -6.956 1.00 34.31 C ATOM 283 O VAL A 19 -3.664 -3.915 -5.855 1.00 13.33 O ATOM 284 CB VAL A 19 -1.600 -2.888 -7.932 1.00 13.31 C ATOM 285 CG1 VAL A 19 -0.576 -4.011 -7.867 1.00 32.30 C ATOM 286 CG2 VAL A 19 -1.259 -1.908 -9.045 1.00 31.50 C ATOM 0 H VAL A 19 -4.115 -1.809 -7.443 1.00 63.24 H new ATOM 0 HA VAL A 19 -3.042 -4.036 -9.055 1.00 3.02 H new ATOM 0 HB VAL A 19 -1.574 -2.350 -6.984 1.00 13.31 H new ATOM 0 HG11 VAL A 19 0.419 -3.589 -7.726 1.00 32.30 H new ATOM 0 HG12 VAL A 19 -0.812 -4.670 -7.032 1.00 32.30 H new ATOM 0 HG13 VAL A 19 -0.600 -4.580 -8.796 1.00 32.30 H new ATOM 0 HG21 VAL A 19 -0.254 -1.515 -8.889 1.00 31.50 H new ATOM 0 HG22 VAL A 19 -1.303 -2.420 -10.006 1.00 31.50 H new ATOM 0 HG23 VAL A 19 -1.975 -1.086 -9.038 1.00 31.50 H new ATOM 296 N PRO A 20 -3.298 -5.688 -7.194 1.00 20.21 N ATOM 297 CA PRO A 20 -3.595 -6.691 -6.168 1.00 33.53 C ATOM 298 C PRO A 20 -2.528 -6.741 -5.081 1.00 65.14 C ATOM 299 O PRO A 20 -1.358 -6.445 -5.330 1.00 32.52 O ATOM 300 CB PRO A 20 -3.621 -8.006 -6.953 1.00 14.34 C ATOM 301 CG PRO A 20 -2.758 -7.754 -8.141 1.00 14.13 C ATOM 302 CD PRO A 20 -2.938 -6.301 -8.484 1.00 35.31 C ATOM 0 HA PRO A 20 -4.525 -6.474 -5.643 1.00 33.53 H new ATOM 0 HB2 PRO A 20 -3.239 -8.832 -6.354 1.00 14.34 H new ATOM 0 HB3 PRO A 20 -4.636 -8.270 -7.250 1.00 14.34 H new ATOM 0 HG2 PRO A 20 -1.714 -7.976 -7.919 1.00 14.13 H new ATOM 0 HG3 PRO A 20 -3.049 -8.391 -8.976 1.00 14.13 H new ATOM 0 HD2 PRO A 20 -2.025 -5.869 -8.893 1.00 35.31 H new ATOM 0 HD3 PRO A 20 -3.721 -6.158 -9.229 1.00 35.31 H new ATOM 310 N VAL A 21 -2.935 -7.119 -3.873 1.00 71.11 N ATOM 311 CA VAL A 21 -2.013 -7.210 -2.748 1.00 23.14 C ATOM 312 C VAL A 21 -0.795 -8.056 -3.102 1.00 52.14 C ATOM 313 O VAL A 21 0.335 -7.717 -2.750 1.00 5.33 O ATOM 314 CB VAL A 21 -2.699 -7.812 -1.507 1.00 63.34 C ATOM 315 CG1 VAL A 21 -3.706 -6.833 -0.925 1.00 74.40 C ATOM 316 CG2 VAL A 21 -3.367 -9.134 -1.857 1.00 73.30 C ATOM 0 H VAL A 21 -3.899 -7.367 -3.649 1.00 71.11 H new ATOM 0 HA VAL A 21 -1.692 -6.194 -2.520 1.00 23.14 H new ATOM 0 HB VAL A 21 -1.939 -8.005 -0.750 1.00 63.34 H new ATOM 0 HG11 VAL A 21 -4.180 -7.276 -0.049 1.00 74.40 H new ATOM 0 HG12 VAL A 21 -3.195 -5.915 -0.635 1.00 74.40 H new ATOM 0 HG13 VAL A 21 -4.466 -6.605 -1.673 1.00 74.40 H new ATOM 0 HG21 VAL A 21 -3.847 -9.546 -0.969 1.00 73.30 H new ATOM 0 HG22 VAL A 21 -4.117 -8.969 -2.631 1.00 73.30 H new ATOM 0 HG23 VAL A 21 -2.617 -9.835 -2.222 1.00 73.30 H new ATOM 326 N LYS A 22 -1.032 -9.160 -3.804 1.00 52.54 N ATOM 327 CA LYS A 22 0.046 -10.055 -4.209 1.00 52.31 C ATOM 328 C LYS A 22 1.080 -9.315 -5.052 1.00 13.22 C ATOM 329 O LYS A 22 2.282 -9.539 -4.912 1.00 73.11 O ATOM 330 CB LYS A 22 -0.517 -11.238 -4.999 1.00 73.21 C ATOM 331 CG LYS A 22 -1.187 -10.837 -6.302 1.00 35.44 C ATOM 332 CD LYS A 22 -2.372 -11.735 -6.620 1.00 25.00 C ATOM 333 CE LYS A 22 -1.962 -12.909 -7.495 1.00 72.24 C ATOM 334 NZ LYS A 22 -2.674 -12.901 -8.803 1.00 34.51 N ATOM 0 H LYS A 22 -1.961 -9.456 -4.104 1.00 52.54 H new ATOM 0 HA LYS A 22 0.535 -10.426 -3.308 1.00 52.31 H new ATOM 0 HB2 LYS A 22 0.291 -11.937 -5.216 1.00 73.21 H new ATOM 0 HB3 LYS A 22 -1.239 -11.768 -4.378 1.00 73.21 H new ATOM 0 HG2 LYS A 22 -1.521 -9.802 -6.237 1.00 35.44 H new ATOM 0 HG3 LYS A 22 -0.463 -10.887 -7.115 1.00 35.44 H new ATOM 0 HD2 LYS A 22 -2.808 -12.106 -5.692 1.00 25.00 H new ATOM 0 HD3 LYS A 22 -3.144 -11.155 -7.126 1.00 25.00 H new ATOM 0 HE2 LYS A 22 -0.886 -12.876 -7.667 1.00 72.24 H new ATOM 0 HE3 LYS A 22 -2.172 -13.842 -6.973 1.00 72.24 H new ATOM 0 HZ1 LYS A 22 -2.367 -13.717 -9.370 1.00 34.51 H new ATOM 0 HZ2 LYS A 22 -3.700 -12.959 -8.640 1.00 34.51 H new ATOM 0 HZ3 LYS A 22 -2.453 -12.022 -9.313 1.00 34.51 H new ATOM 348 N GLU A 23 0.605 -8.431 -5.923 1.00 74.04 N ATOM 349 CA GLU A 23 1.490 -7.658 -6.787 1.00 35.11 C ATOM 350 C GLU A 23 2.136 -6.510 -6.016 1.00 63.10 C ATOM 351 O GLU A 23 3.337 -6.268 -6.135 1.00 23.21 O ATOM 352 CB GLU A 23 0.716 -7.108 -7.987 1.00 64.13 C ATOM 353 CG GLU A 23 1.539 -6.187 -8.872 1.00 40.53 C ATOM 354 CD GLU A 23 2.701 -6.900 -9.535 1.00 53.44 C ATOM 355 OE1 GLU A 23 3.598 -7.378 -8.809 1.00 32.33 O ATOM 356 OE2 GLU A 23 2.714 -6.980 -10.782 1.00 3.33 O ATOM 0 H GLU A 23 -0.387 -8.232 -6.049 1.00 74.04 H new ATOM 0 HA GLU A 23 2.277 -8.322 -7.145 1.00 35.11 H new ATOM 0 HB2 GLU A 23 0.350 -7.942 -8.586 1.00 64.13 H new ATOM 0 HB3 GLU A 23 -0.159 -6.566 -7.627 1.00 64.13 H new ATOM 0 HG2 GLU A 23 0.896 -5.757 -9.640 1.00 40.53 H new ATOM 0 HG3 GLU A 23 1.919 -5.359 -8.274 1.00 40.53 H new ATOM 363 N ILE A 24 1.330 -5.808 -5.227 1.00 33.10 N ATOM 364 CA ILE A 24 1.822 -4.686 -4.436 1.00 61.44 C ATOM 365 C ILE A 24 3.004 -5.104 -3.567 1.00 31.35 C ATOM 366 O ILE A 24 3.989 -4.377 -3.450 1.00 13.40 O ATOM 367 CB ILE A 24 0.717 -4.104 -3.537 1.00 32.41 C ATOM 368 CG1 ILE A 24 -0.470 -3.641 -4.384 1.00 31.02 C ATOM 369 CG2 ILE A 24 1.263 -2.952 -2.707 1.00 33.14 C ATOM 370 CD1 ILE A 24 -1.784 -3.641 -3.635 1.00 1.11 C ATOM 0 H ILE A 24 0.333 -5.996 -5.118 1.00 33.10 H new ATOM 0 HA ILE A 24 2.145 -3.920 -5.140 1.00 61.44 H new ATOM 0 HB ILE A 24 0.372 -4.885 -2.859 1.00 32.41 H new ATOM 0 HG12 ILE A 24 -0.272 -2.635 -4.753 1.00 31.02 H new ATOM 0 HG13 ILE A 24 -0.558 -4.289 -5.256 1.00 31.02 H new ATOM 0 HG21 ILE A 24 0.470 -2.550 -2.076 1.00 33.14 H new ATOM 0 HG22 ILE A 24 2.079 -3.310 -2.080 1.00 33.14 H new ATOM 0 HG23 ILE A 24 1.631 -2.169 -3.370 1.00 33.14 H new ATOM 0 HD11 ILE A 24 -2.580 -3.302 -4.297 1.00 1.11 H new ATOM 0 HD12 ILE A 24 -2.005 -4.651 -3.289 1.00 1.11 H new ATOM 0 HD13 ILE A 24 -1.714 -2.971 -2.778 1.00 1.11 H new ATOM 382 N ALA A 25 2.896 -6.281 -2.959 1.00 63.11 N ATOM 383 CA ALA A 25 3.957 -6.798 -2.102 1.00 54.43 C ATOM 384 C ALA A 25 5.279 -6.884 -2.858 1.00 1.25 C ATOM 385 O ALA A 25 6.323 -6.473 -2.351 1.00 44.32 O ATOM 386 CB ALA A 25 3.572 -8.164 -1.552 1.00 10.24 C ATOM 0 H ALA A 25 2.085 -6.894 -3.044 1.00 63.11 H new ATOM 0 HA ALA A 25 4.088 -6.107 -1.270 1.00 54.43 H new ATOM 0 HB1 ALA A 25 4.373 -8.538 -0.914 1.00 10.24 H new ATOM 0 HB2 ALA A 25 2.655 -8.076 -0.969 1.00 10.24 H new ATOM 0 HB3 ALA A 25 3.412 -8.857 -2.378 1.00 10.24 H new ATOM 392 N LYS A 26 5.228 -7.421 -4.072 1.00 0.41 N ATOM 393 CA LYS A 26 6.422 -7.560 -4.898 1.00 51.12 C ATOM 394 C LYS A 26 6.906 -6.199 -5.387 1.00 42.24 C ATOM 395 O LYS A 26 8.104 -5.991 -5.584 1.00 61.04 O ATOM 396 CB LYS A 26 6.136 -8.472 -6.094 1.00 21.24 C ATOM 397 CG LYS A 26 5.522 -9.807 -5.707 1.00 54.44 C ATOM 398 CD LYS A 26 6.390 -10.551 -4.706 1.00 12.21 C ATOM 399 CE LYS A 26 7.750 -10.894 -5.294 1.00 74.31 C ATOM 400 NZ LYS A 26 7.628 -11.589 -6.606 1.00 61.20 N ATOM 0 H LYS A 26 4.372 -7.767 -4.506 1.00 0.41 H new ATOM 0 HA LYS A 26 7.207 -8.007 -4.287 1.00 51.12 H new ATOM 0 HB2 LYS A 26 5.463 -7.957 -6.780 1.00 21.24 H new ATOM 0 HB3 LYS A 26 7.066 -8.652 -6.634 1.00 21.24 H new ATOM 0 HG2 LYS A 26 4.532 -9.643 -5.281 1.00 54.44 H new ATOM 0 HG3 LYS A 26 5.388 -10.419 -6.599 1.00 54.44 H new ATOM 0 HD2 LYS A 26 6.522 -9.940 -3.813 1.00 12.21 H new ATOM 0 HD3 LYS A 26 5.886 -11.466 -4.395 1.00 12.21 H new ATOM 0 HE2 LYS A 26 8.332 -9.981 -5.419 1.00 74.31 H new ATOM 0 HE3 LYS A 26 8.298 -11.528 -4.597 1.00 74.31 H new ATOM 0 HZ1 LYS A 26 8.538 -12.028 -6.852 1.00 61.20 H new ATOM 0 HZ2 LYS A 26 6.895 -12.324 -6.543 1.00 61.20 H new ATOM 0 HZ3 LYS A 26 7.365 -10.901 -7.340 1.00 61.20 H new ATOM 414 N ARG A 27 5.970 -5.277 -5.580 1.00 13.33 N ATOM 415 CA ARG A 27 6.303 -3.936 -6.047 1.00 21.03 C ATOM 416 C ARG A 27 7.077 -3.167 -4.981 1.00 2.40 C ATOM 417 O ARG A 27 8.124 -2.581 -5.261 1.00 20.35 O ATOM 418 CB ARG A 27 5.031 -3.172 -6.419 1.00 32.02 C ATOM 419 CG ARG A 27 4.202 -3.857 -7.493 1.00 70.40 C ATOM 420 CD ARG A 27 4.288 -3.118 -8.819 1.00 52.23 C ATOM 421 NE ARG A 27 4.337 -4.034 -9.955 1.00 63.41 N ATOM 422 CZ ARG A 27 4.318 -3.636 -11.221 1.00 74.15 C ATOM 423 NH1 ARG A 27 4.252 -2.345 -11.514 1.00 32.15 N ATOM 424 NH2 ARG A 27 4.366 -4.531 -12.201 1.00 22.41 N ATOM 0 H ARG A 27 4.975 -5.433 -5.420 1.00 13.33 H new ATOM 0 HA ARG A 27 6.933 -4.032 -6.931 1.00 21.03 H new ATOM 0 HB2 ARG A 27 4.419 -3.045 -5.526 1.00 32.02 H new ATOM 0 HB3 ARG A 27 5.304 -2.175 -6.763 1.00 32.02 H new ATOM 0 HG2 ARG A 27 4.549 -4.882 -7.623 1.00 70.40 H new ATOM 0 HG3 ARG A 27 3.162 -3.911 -7.172 1.00 70.40 H new ATOM 0 HD2 ARG A 27 3.427 -2.458 -8.923 1.00 52.23 H new ATOM 0 HD3 ARG A 27 5.176 -2.486 -8.825 1.00 52.23 H new ATOM 0 HE ARG A 27 4.389 -5.035 -9.765 1.00 63.41 H new ATOM 0 HH11 ARG A 27 4.216 -1.653 -10.765 1.00 32.15 H new ATOM 0 HH12 ARG A 27 4.238 -2.043 -12.488 1.00 32.15 H new ATOM 0 HH21 ARG A 27 4.418 -5.526 -11.981 1.00 22.41 H new ATOM 0 HH22 ARG A 27 4.351 -4.224 -13.173 1.00 22.41 H new ATOM 438 N SER A 28 6.556 -3.173 -3.758 1.00 41.11 N ATOM 439 CA SER A 28 7.197 -2.472 -2.651 1.00 15.23 C ATOM 440 C SER A 28 8.187 -3.382 -1.932 1.00 44.12 C ATOM 441 O SER A 28 8.813 -2.984 -0.950 1.00 54.35 O ATOM 442 CB SER A 28 6.143 -1.964 -1.664 1.00 43.32 C ATOM 443 OG SER A 28 6.748 -1.479 -0.478 1.00 4.53 O ATOM 0 H SER A 28 5.692 -3.655 -3.509 1.00 41.11 H new ATOM 0 HA SER A 28 7.743 -1.621 -3.059 1.00 15.23 H new ATOM 0 HB2 SER A 28 5.558 -1.170 -2.128 1.00 43.32 H new ATOM 0 HB3 SER A 28 5.451 -2.770 -1.420 1.00 43.32 H new ATOM 0 HG SER A 28 7.717 -1.618 -0.524 1.00 4.53 H new ATOM 449 N ASN A 29 8.323 -4.608 -2.427 1.00 74.22 N ATOM 450 CA ASN A 29 9.236 -5.576 -1.833 1.00 62.15 C ATOM 451 C ASN A 29 8.864 -5.855 -0.379 1.00 14.34 C ATOM 452 O ASN A 29 9.715 -6.220 0.431 1.00 71.51 O ATOM 453 CB ASN A 29 10.676 -5.067 -1.914 1.00 2.01 C ATOM 454 CG ASN A 29 10.977 -4.390 -3.237 1.00 31.31 C ATOM 455 OD1 ASN A 29 10.707 -3.202 -3.415 1.00 32.10 O ATOM 456 ND2 ASN A 29 11.538 -5.146 -4.174 1.00 33.41 N ATOM 0 H ASN A 29 7.812 -4.954 -3.239 1.00 74.22 H new ATOM 0 HA ASN A 29 9.155 -6.506 -2.395 1.00 62.15 H new ATOM 0 HB2 ASN A 29 10.856 -4.364 -1.100 1.00 2.01 H new ATOM 0 HB3 ASN A 29 11.362 -5.902 -1.772 1.00 2.01 H new ATOM 0 HD21 ASN A 29 11.763 -4.746 -5.085 1.00 33.41 H new ATOM 0 HD22 ASN A 29 11.744 -6.126 -3.982 1.00 33.41 H new ATOM 463 N ASN A 30 7.586 -5.677 -0.057 1.00 71.14 N ATOM 464 CA ASN A 30 7.102 -5.908 1.299 1.00 35.42 C ATOM 465 C ASN A 30 6.408 -7.263 1.404 1.00 62.21 C ATOM 466 O ASN A 30 6.225 -7.958 0.405 1.00 13.34 O ATOM 467 CB ASN A 30 6.137 -4.795 1.714 1.00 75.43 C ATOM 468 CG ASN A 30 6.854 -3.605 2.320 1.00 12.21 C ATOM 469 OD1 ASN A 30 6.436 -3.071 3.347 1.00 31.24 O ATOM 470 ND2 ASN A 30 7.941 -3.183 1.684 1.00 11.13 N ATOM 0 H ASN A 30 6.869 -5.374 -0.716 1.00 71.14 H new ATOM 0 HA ASN A 30 7.960 -5.905 1.971 1.00 35.42 H new ATOM 0 HB2 ASN A 30 5.568 -4.468 0.844 1.00 75.43 H new ATOM 0 HB3 ASN A 30 5.420 -5.189 2.434 1.00 75.43 H new ATOM 0 HD21 ASN A 30 8.465 -2.386 2.044 1.00 11.13 H new ATOM 0 HD22 ASN A 30 8.251 -3.656 0.835 1.00 11.13 H new ATOM 477 N SER A 31 6.025 -7.632 2.622 1.00 21.51 N ATOM 478 CA SER A 31 5.354 -8.906 2.860 1.00 44.13 C ATOM 479 C SER A 31 3.842 -8.756 2.728 1.00 52.12 C ATOM 480 O SER A 31 3.298 -7.667 2.903 1.00 34.42 O ATOM 481 CB SER A 31 5.706 -9.440 4.250 1.00 2.51 C ATOM 482 OG SER A 31 5.727 -10.856 4.262 1.00 71.12 O ATOM 0 H SER A 31 6.167 -7.068 3.460 1.00 21.51 H new ATOM 0 HA SER A 31 5.698 -9.616 2.108 1.00 44.13 H new ATOM 0 HB2 SER A 31 6.680 -9.056 4.555 1.00 2.51 H new ATOM 0 HB3 SER A 31 4.979 -9.078 4.977 1.00 2.51 H new ATOM 0 HG SER A 31 5.956 -11.172 5.161 1.00 71.12 H new ATOM 488 N MET A 32 3.170 -9.860 2.418 1.00 51.34 N ATOM 489 CA MET A 32 1.720 -9.853 2.263 1.00 1.42 C ATOM 490 C MET A 32 1.043 -9.286 3.507 1.00 53.05 C ATOM 491 O MET A 32 0.024 -8.601 3.413 1.00 63.04 O ATOM 492 CB MET A 32 1.208 -11.269 1.990 1.00 12.03 C ATOM 493 CG MET A 32 0.010 -11.311 1.055 1.00 62.22 C ATOM 494 SD MET A 32 -1.291 -12.413 1.643 1.00 62.53 S ATOM 495 CE MET A 32 -1.023 -13.841 0.596 1.00 74.43 C ATOM 0 H MET A 32 3.606 -10.770 2.269 1.00 51.34 H new ATOM 0 HA MET A 32 1.473 -9.215 1.414 1.00 1.42 H new ATOM 0 HB2 MET A 32 2.015 -11.862 1.560 1.00 12.03 H new ATOM 0 HB3 MET A 32 0.937 -11.738 2.936 1.00 12.03 H new ATOM 0 HG2 MET A 32 -0.394 -10.305 0.943 1.00 62.22 H new ATOM 0 HG3 MET A 32 0.336 -11.635 0.067 1.00 62.22 H new ATOM 0 HE1 MET A 32 -1.753 -14.613 0.840 1.00 74.43 H new ATOM 0 HE2 MET A 32 -1.136 -13.552 -0.449 1.00 74.43 H new ATOM 0 HE3 MET A 32 -0.017 -14.228 0.759 1.00 74.43 H new ATOM 505 N SER A 33 1.616 -9.575 4.670 1.00 24.44 N ATOM 506 CA SER A 33 1.065 -9.098 5.934 1.00 51.03 C ATOM 507 C SER A 33 1.442 -7.639 6.173 1.00 10.10 C ATOM 508 O SER A 33 0.807 -6.943 6.966 1.00 25.34 O ATOM 509 CB SER A 33 1.565 -9.963 7.092 1.00 41.33 C ATOM 510 OG SER A 33 1.150 -11.308 6.939 1.00 64.42 O ATOM 0 H SER A 33 2.462 -10.137 4.764 1.00 24.44 H new ATOM 0 HA SER A 33 -0.021 -9.171 5.880 1.00 51.03 H new ATOM 0 HB2 SER A 33 2.653 -9.918 7.140 1.00 41.33 H new ATOM 0 HB3 SER A 33 1.187 -9.568 8.035 1.00 41.33 H new ATOM 0 HG SER A 33 1.484 -11.841 7.691 1.00 64.42 H new ATOM 516 N THR A 34 2.481 -7.182 5.481 1.00 14.34 N ATOM 517 CA THR A 34 2.944 -5.806 5.618 1.00 5.11 C ATOM 518 C THR A 34 2.148 -4.866 4.721 1.00 3.54 C ATOM 519 O THR A 34 1.650 -3.834 5.174 1.00 74.45 O ATOM 520 CB THR A 34 4.440 -5.682 5.274 1.00 51.42 C ATOM 521 OG1 THR A 34 5.203 -6.602 6.062 1.00 0.31 O ATOM 522 CG2 THR A 34 4.935 -4.264 5.519 1.00 41.14 C ATOM 0 H THR A 34 3.018 -7.744 4.820 1.00 14.34 H new ATOM 0 HA THR A 34 2.793 -5.523 6.660 1.00 5.11 H new ATOM 0 HB THR A 34 4.568 -5.918 4.218 1.00 51.42 H new ATOM 0 HG1 THR A 34 6.153 -6.517 5.835 1.00 0.31 H new ATOM 0 HG21 THR A 34 5.994 -4.200 5.269 1.00 41.14 H new ATOM 0 HG22 THR A 34 4.373 -3.569 4.895 1.00 41.14 H new ATOM 0 HG23 THR A 34 4.793 -4.005 6.568 1.00 41.14 H new ATOM 530 N VAL A 35 2.030 -5.228 3.447 1.00 2.43 N ATOM 531 CA VAL A 35 1.292 -4.416 2.487 1.00 34.03 C ATOM 532 C VAL A 35 -0.184 -4.332 2.859 1.00 22.30 C ATOM 533 O VAL A 35 -0.728 -3.243 3.041 1.00 3.14 O ATOM 534 CB VAL A 35 1.419 -4.981 1.060 1.00 44.23 C ATOM 535 CG1 VAL A 35 0.337 -4.406 0.159 1.00 12.44 C ATOM 536 CG2 VAL A 35 2.802 -4.694 0.496 1.00 71.04 C ATOM 0 H VAL A 35 2.436 -6.078 3.056 1.00 2.43 H new ATOM 0 HA VAL A 35 1.728 -3.417 2.515 1.00 34.03 H new ATOM 0 HB VAL A 35 1.285 -6.062 1.102 1.00 44.23 H new ATOM 0 HG11 VAL A 35 0.443 -4.817 -0.845 1.00 12.44 H new ATOM 0 HG12 VAL A 35 -0.644 -4.667 0.556 1.00 12.44 H new ATOM 0 HG13 VAL A 35 0.435 -3.321 0.119 1.00 12.44 H new ATOM 0 HG21 VAL A 35 2.875 -5.100 -0.513 1.00 71.04 H new ATOM 0 HG22 VAL A 35 2.967 -3.617 0.467 1.00 71.04 H new ATOM 0 HG23 VAL A 35 3.557 -5.159 1.130 1.00 71.04 H new ATOM 546 N TYR A 36 -0.827 -5.489 2.969 1.00 15.41 N ATOM 547 CA TYR A 36 -2.242 -5.547 3.318 1.00 54.24 C ATOM 548 C TYR A 36 -2.526 -4.736 4.578 1.00 14.12 C ATOM 549 O TYR A 36 -3.555 -4.067 4.682 1.00 5.22 O ATOM 550 CB TYR A 36 -2.681 -6.998 3.521 1.00 43.44 C ATOM 551 CG TYR A 36 -4.167 -7.213 3.344 1.00 4.33 C ATOM 552 CD1 TYR A 36 -5.079 -6.652 4.229 1.00 12.12 C ATOM 553 CD2 TYR A 36 -4.658 -7.975 2.292 1.00 40.25 C ATOM 554 CE1 TYR A 36 -6.438 -6.846 4.071 1.00 1.25 C ATOM 555 CE2 TYR A 36 -6.015 -8.174 2.126 1.00 23.13 C ATOM 556 CZ TYR A 36 -6.901 -7.607 3.018 1.00 65.32 C ATOM 557 OH TYR A 36 -8.253 -7.802 2.858 1.00 71.52 O ATOM 0 H TYR A 36 -0.391 -6.399 2.822 1.00 15.41 H new ATOM 0 HA TYR A 36 -2.811 -5.115 2.494 1.00 54.24 H new ATOM 0 HB2 TYR A 36 -2.144 -7.633 2.816 1.00 43.44 H new ATOM 0 HB3 TYR A 36 -2.393 -7.319 4.522 1.00 43.44 H new ATOM 0 HD1 TYR A 36 -4.720 -6.055 5.054 1.00 12.12 H new ATOM 0 HD2 TYR A 36 -3.967 -8.420 1.591 1.00 40.25 H new ATOM 0 HE1 TYR A 36 -7.134 -6.404 4.769 1.00 1.25 H new ATOM 0 HE2 TYR A 36 -6.380 -8.770 1.303 1.00 23.13 H new ATOM 0 HH TYR A 36 -8.412 -8.360 2.068 1.00 71.52 H new ATOM 567 N LYS A 37 -1.607 -4.800 5.535 1.00 54.22 N ATOM 568 CA LYS A 37 -1.755 -4.072 6.789 1.00 14.53 C ATOM 569 C LYS A 37 -1.840 -2.569 6.539 1.00 45.01 C ATOM 570 O LYS A 37 -2.514 -1.845 7.272 1.00 65.23 O ATOM 571 CB LYS A 37 -0.581 -4.378 7.722 1.00 52.31 C ATOM 572 CG LYS A 37 -0.893 -5.438 8.764 1.00 2.15 C ATOM 573 CD LYS A 37 0.265 -5.629 9.729 1.00 72.51 C ATOM 574 CE LYS A 37 -0.159 -5.371 11.167 1.00 31.13 C ATOM 575 NZ LYS A 37 -0.708 -6.595 11.812 1.00 72.55 N ATOM 0 H LYS A 37 -0.750 -5.350 5.466 1.00 54.22 H new ATOM 0 HA LYS A 37 -2.682 -4.397 7.262 1.00 14.53 H new ATOM 0 HB2 LYS A 37 0.270 -4.706 7.126 1.00 52.31 H new ATOM 0 HB3 LYS A 37 -0.281 -3.460 8.228 1.00 52.31 H new ATOM 0 HG2 LYS A 37 -1.787 -5.152 9.319 1.00 2.15 H new ATOM 0 HG3 LYS A 37 -1.114 -6.383 8.268 1.00 2.15 H new ATOM 0 HD2 LYS A 37 0.651 -6.644 9.639 1.00 72.51 H new ATOM 0 HD3 LYS A 37 1.078 -4.954 9.462 1.00 72.51 H new ATOM 0 HE2 LYS A 37 0.697 -5.012 11.739 1.00 31.13 H new ATOM 0 HE3 LYS A 37 -0.910 -4.582 11.188 1.00 31.13 H new ATOM 0 HZ1 LYS A 37 -0.985 -6.377 12.790 1.00 72.55 H new ATOM 0 HZ2 LYS A 37 -1.540 -6.924 11.281 1.00 72.55 H new ATOM 0 HZ3 LYS A 37 0.017 -7.341 11.815 1.00 72.55 H new ATOM 589 N ALA A 38 -1.155 -2.107 5.498 1.00 11.12 N ATOM 590 CA ALA A 38 -1.156 -0.692 5.150 1.00 54.01 C ATOM 591 C ALA A 38 -2.442 -0.306 4.427 1.00 13.01 C ATOM 592 O ALA A 38 -3.047 0.726 4.723 1.00 74.51 O ATOM 593 CB ALA A 38 0.054 -0.358 4.291 1.00 63.10 C ATOM 0 H ALA A 38 -0.592 -2.693 4.881 1.00 11.12 H new ATOM 0 HA ALA A 38 -1.102 -0.116 6.074 1.00 54.01 H new ATOM 0 HB1 ALA A 38 0.040 0.702 4.039 1.00 63.10 H new ATOM 0 HB2 ALA A 38 0.966 -0.588 4.842 1.00 63.10 H new ATOM 0 HB3 ALA A 38 0.025 -0.949 3.376 1.00 63.10 H new ATOM 599 N LEU A 39 -2.855 -1.139 3.478 1.00 54.11 N ATOM 600 CA LEU A 39 -4.070 -0.885 2.711 1.00 4.01 C ATOM 601 C LEU A 39 -5.253 -0.620 3.638 1.00 63.44 C ATOM 602 O LEU A 39 -5.977 0.359 3.470 1.00 53.22 O ATOM 603 CB LEU A 39 -4.378 -2.072 1.798 1.00 63.23 C ATOM 604 CG LEU A 39 -3.238 -2.534 0.889 1.00 4.54 C ATOM 605 CD1 LEU A 39 -3.636 -3.788 0.129 1.00 61.43 C ATOM 606 CD2 LEU A 39 -2.843 -1.425 -0.076 1.00 23.30 C ATOM 0 H LEU A 39 -2.366 -1.997 3.221 1.00 54.11 H new ATOM 0 HA LEU A 39 -3.906 0.002 2.099 1.00 4.01 H new ATOM 0 HB2 LEU A 39 -4.684 -2.913 2.420 1.00 63.23 H new ATOM 0 HB3 LEU A 39 -5.232 -1.811 1.172 1.00 63.23 H new ATOM 0 HG LEU A 39 -2.375 -2.771 1.512 1.00 4.54 H new ATOM 0 HD11 LEU A 39 -2.812 -4.102 -0.512 1.00 61.43 H new ATOM 0 HD12 LEU A 39 -3.868 -4.584 0.837 1.00 61.43 H new ATOM 0 HD13 LEU A 39 -4.513 -3.579 -0.483 1.00 61.43 H new ATOM 0 HD21 LEU A 39 -2.031 -1.771 -0.715 1.00 23.30 H new ATOM 0 HD22 LEU A 39 -3.701 -1.157 -0.693 1.00 23.30 H new ATOM 0 HD23 LEU A 39 -2.514 -0.552 0.488 1.00 23.30 H new ATOM 618 N GLU A 40 -5.439 -1.502 4.616 1.00 14.05 N ATOM 619 CA GLU A 40 -6.534 -1.362 5.570 1.00 74.25 C ATOM 620 C GLU A 40 -6.417 -0.052 6.344 1.00 73.12 C ATOM 621 O GLU A 40 -7.405 0.462 6.870 1.00 70.23 O ATOM 622 CB GLU A 40 -6.546 -2.543 6.543 1.00 44.43 C ATOM 623 CG GLU A 40 -5.290 -2.645 7.390 1.00 44.23 C ATOM 624 CD GLU A 40 -5.538 -3.327 8.722 1.00 32.02 C ATOM 625 OE1 GLU A 40 -6.494 -2.930 9.421 1.00 62.43 O ATOM 626 OE2 GLU A 40 -4.777 -4.256 9.065 1.00 2.11 O ATOM 0 H GLU A 40 -4.847 -2.319 4.768 1.00 14.05 H new ATOM 0 HA GLU A 40 -7.470 -1.351 5.011 1.00 74.25 H new ATOM 0 HB2 GLU A 40 -7.411 -2.453 7.200 1.00 44.43 H new ATOM 0 HB3 GLU A 40 -6.669 -3.467 5.978 1.00 44.43 H new ATOM 0 HG2 GLU A 40 -4.529 -3.198 6.839 1.00 44.23 H new ATOM 0 HG3 GLU A 40 -4.893 -1.645 7.566 1.00 44.23 H new ATOM 633 N LYS A 41 -5.204 0.483 6.410 1.00 42.54 N ATOM 634 CA LYS A 41 -4.954 1.733 7.118 1.00 33.23 C ATOM 635 C LYS A 41 -5.382 2.931 6.275 1.00 71.14 C ATOM 636 O LYS A 41 -6.100 3.813 6.750 1.00 72.11 O ATOM 637 CB LYS A 41 -3.472 1.853 7.479 1.00 12.02 C ATOM 638 CG LYS A 41 -3.217 1.969 8.971 1.00 1.23 C ATOM 639 CD LYS A 41 -3.627 0.704 9.707 1.00 13.42 C ATOM 640 CE LYS A 41 -2.500 -0.317 9.729 1.00 75.32 C ATOM 641 NZ LYS A 41 -1.585 -0.109 10.884 1.00 51.04 N ATOM 0 H LYS A 41 -4.376 0.070 5.981 1.00 42.54 H new ATOM 0 HA LYS A 41 -5.544 1.726 8.034 1.00 33.23 H new ATOM 0 HB2 LYS A 41 -2.941 0.982 7.095 1.00 12.02 H new ATOM 0 HB3 LYS A 41 -3.054 2.727 6.979 1.00 12.02 H new ATOM 0 HG2 LYS A 41 -2.159 2.166 9.146 1.00 1.23 H new ATOM 0 HG3 LYS A 41 -3.770 2.819 9.371 1.00 1.23 H new ATOM 0 HD2 LYS A 41 -3.914 0.953 10.729 1.00 13.42 H new ATOM 0 HD3 LYS A 41 -4.504 0.270 9.226 1.00 13.42 H new ATOM 0 HE2 LYS A 41 -2.921 -1.321 9.776 1.00 75.32 H new ATOM 0 HE3 LYS A 41 -1.933 -0.252 8.800 1.00 75.32 H new ATOM 0 HZ1 LYS A 41 -0.831 -0.825 10.863 1.00 51.04 H new ATOM 0 HZ2 LYS A 41 -1.163 0.840 10.826 1.00 51.04 H new ATOM 0 HZ3 LYS A 41 -2.120 -0.196 11.771 1.00 51.04 H new ATOM 655 N LEU A 42 -4.939 2.956 5.023 1.00 61.53 N ATOM 656 CA LEU A 42 -5.277 4.045 4.113 1.00 71.32 C ATOM 657 C LEU A 42 -6.752 3.993 3.727 1.00 63.22 C ATOM 658 O LEU A 42 -7.447 5.009 3.757 1.00 25.00 O ATOM 659 CB LEU A 42 -4.406 3.974 2.857 1.00 22.04 C ATOM 660 CG LEU A 42 -2.941 4.373 3.033 1.00 10.45 C ATOM 661 CD1 LEU A 42 -2.023 3.257 2.559 1.00 23.43 C ATOM 662 CD2 LEU A 42 -2.646 5.664 2.283 1.00 41.31 C ATOM 0 H LEU A 42 -4.345 2.235 4.615 1.00 61.53 H new ATOM 0 HA LEU A 42 -5.088 4.988 4.626 1.00 71.32 H new ATOM 0 HB2 LEU A 42 -4.440 2.955 2.472 1.00 22.04 H new ATOM 0 HB3 LEU A 42 -4.848 4.617 2.096 1.00 22.04 H new ATOM 0 HG LEU A 42 -2.755 4.542 4.094 1.00 10.45 H new ATOM 0 HD11 LEU A 42 -0.984 3.559 2.692 1.00 23.43 H new ATOM 0 HD12 LEU A 42 -2.216 2.355 3.140 1.00 23.43 H new ATOM 0 HD13 LEU A 42 -2.210 3.055 1.504 1.00 23.43 H new ATOM 0 HD21 LEU A 42 -1.599 5.933 2.420 1.00 41.31 H new ATOM 0 HD22 LEU A 42 -2.849 5.523 1.221 1.00 41.31 H new ATOM 0 HD23 LEU A 42 -3.279 6.462 2.670 1.00 41.31 H new ATOM 674 N GLU A 43 -7.223 2.803 3.366 1.00 12.25 N ATOM 675 CA GLU A 43 -8.615 2.621 2.976 1.00 33.43 C ATOM 676 C GLU A 43 -9.557 3.147 4.055 1.00 31.32 C ATOM 677 O GLU A 43 -10.558 3.798 3.758 1.00 74.23 O ATOM 678 CB GLU A 43 -8.905 1.142 2.709 1.00 44.40 C ATOM 679 CG GLU A 43 -10.046 0.910 1.734 1.00 14.21 C ATOM 680 CD GLU A 43 -10.641 -0.480 1.851 1.00 14.43 C ATOM 681 OE1 GLU A 43 -10.446 -1.122 2.904 1.00 51.22 O ATOM 682 OE2 GLU A 43 -11.301 -0.925 0.889 1.00 71.04 O ATOM 0 H GLU A 43 -6.661 1.952 3.336 1.00 12.25 H new ATOM 0 HA GLU A 43 -8.785 3.189 2.061 1.00 33.43 H new ATOM 0 HB2 GLU A 43 -8.004 0.669 2.319 1.00 44.40 H new ATOM 0 HB3 GLU A 43 -9.140 0.651 3.653 1.00 44.40 H new ATOM 0 HG2 GLU A 43 -10.826 1.651 1.911 1.00 14.21 H new ATOM 0 HG3 GLU A 43 -9.686 1.062 0.717 1.00 14.21 H new ATOM 689 N ALA A 44 -9.228 2.860 5.310 1.00 60.42 N ATOM 690 CA ALA A 44 -10.042 3.305 6.435 1.00 70.52 C ATOM 691 C ALA A 44 -10.110 4.827 6.495 1.00 72.32 C ATOM 692 O ALA A 44 -11.014 5.393 7.107 1.00 30.53 O ATOM 693 CB ALA A 44 -9.491 2.746 7.739 1.00 54.10 C ATOM 0 H ALA A 44 -8.403 2.321 5.574 1.00 60.42 H new ATOM 0 HA ALA A 44 -11.055 2.928 6.291 1.00 70.52 H new ATOM 0 HB1 ALA A 44 -10.108 3.086 8.570 1.00 54.10 H new ATOM 0 HB2 ALA A 44 -9.502 1.657 7.701 1.00 54.10 H new ATOM 0 HB3 ALA A 44 -8.468 3.094 7.881 1.00 54.10 H new ATOM 699 N MET A 45 -9.146 5.483 5.857 1.00 12.11 N ATOM 700 CA MET A 45 -9.098 6.940 5.838 1.00 42.13 C ATOM 701 C MET A 45 -9.630 7.485 4.517 1.00 15.40 C ATOM 702 O MET A 45 -10.050 8.639 4.434 1.00 34.40 O ATOM 703 CB MET A 45 -7.665 7.427 6.063 1.00 23.14 C ATOM 704 CG MET A 45 -7.098 7.039 7.420 1.00 53.31 C ATOM 705 SD MET A 45 -7.658 8.130 8.743 1.00 63.45 S ATOM 706 CE MET A 45 -6.765 7.452 10.140 1.00 22.33 C ATOM 0 H MET A 45 -8.388 5.029 5.347 1.00 12.11 H new ATOM 0 HA MET A 45 -9.731 7.310 6.644 1.00 42.13 H new ATOM 0 HB2 MET A 45 -7.024 7.020 5.281 1.00 23.14 H new ATOM 0 HB3 MET A 45 -7.639 8.512 5.964 1.00 23.14 H new ATOM 0 HG2 MET A 45 -7.389 6.014 7.652 1.00 53.31 H new ATOM 0 HG3 MET A 45 -6.009 7.059 7.374 1.00 53.31 H new ATOM 0 HE1 MET A 45 -7.007 8.022 11.037 1.00 22.33 H new ATOM 0 HE2 MET A 45 -7.051 6.410 10.284 1.00 22.33 H new ATOM 0 HE3 MET A 45 -5.693 7.511 9.950 1.00 22.33 H new ATOM 716 N GLY A 46 -9.609 6.648 3.484 1.00 51.05 N ATOM 717 CA GLY A 46 -10.091 7.064 2.181 1.00 52.12 C ATOM 718 C GLY A 46 -8.991 7.642 1.312 1.00 23.34 C ATOM 719 O GLY A 46 -9.238 8.524 0.490 1.00 30.30 O ATOM 0 H GLY A 46 -9.266 5.688 3.527 1.00 51.05 H new ATOM 0 HA2 GLY A 46 -10.539 6.210 1.673 1.00 52.12 H new ATOM 0 HA3 GLY A 46 -10.877 7.808 2.309 1.00 52.12 H new ATOM 723 N ARG A 47 -7.772 7.145 1.496 1.00 20.05 N ATOM 724 CA ARG A 47 -6.629 7.620 0.726 1.00 15.52 C ATOM 725 C ARG A 47 -6.454 6.800 -0.549 1.00 35.44 C ATOM 726 O ARG A 47 -6.124 7.340 -1.606 1.00 34.34 O ATOM 727 CB ARG A 47 -5.354 7.551 1.567 1.00 4.33 C ATOM 728 CG ARG A 47 -5.555 7.978 3.013 1.00 63.43 C ATOM 729 CD ARG A 47 -6.142 9.378 3.104 1.00 42.22 C ATOM 730 NE ARG A 47 -5.309 10.269 3.906 1.00 12.53 N ATOM 731 CZ ARG A 47 -5.464 11.588 3.940 1.00 13.24 C ATOM 732 NH1 ARG A 47 -6.416 12.165 3.219 1.00 32.44 N ATOM 733 NH2 ARG A 47 -4.667 12.332 4.695 1.00 13.22 N ATOM 0 H ARG A 47 -7.551 6.414 2.172 1.00 20.05 H new ATOM 0 HA ARG A 47 -6.817 8.657 0.449 1.00 15.52 H new ATOM 0 HB2 ARG A 47 -4.971 6.531 1.548 1.00 4.33 H new ATOM 0 HB3 ARG A 47 -4.594 8.186 1.112 1.00 4.33 H new ATOM 0 HG2 ARG A 47 -6.217 7.271 3.513 1.00 63.43 H new ATOM 0 HG3 ARG A 47 -4.601 7.948 3.539 1.00 63.43 H new ATOM 0 HD2 ARG A 47 -6.253 9.790 2.101 1.00 42.22 H new ATOM 0 HD3 ARG A 47 -7.140 9.325 3.539 1.00 42.22 H new ATOM 0 HE ARG A 47 -4.567 9.856 4.471 1.00 12.53 H new ATOM 0 HH11 ARG A 47 -7.031 11.596 2.637 1.00 32.44 H new ATOM 0 HH12 ARG A 47 -6.533 13.178 3.246 1.00 32.44 H new ATOM 0 HH21 ARG A 47 -3.934 11.892 5.251 1.00 13.22 H new ATOM 0 HH22 ARG A 47 -4.787 13.345 4.720 1.00 13.22 H new ATOM 747 N ILE A 48 -6.679 5.495 -0.442 1.00 63.32 N ATOM 748 CA ILE A 48 -6.546 4.601 -1.586 1.00 13.45 C ATOM 749 C ILE A 48 -7.892 4.380 -2.268 1.00 41.53 C ATOM 750 O ILE A 48 -8.182 3.287 -2.755 1.00 24.21 O ATOM 751 CB ILE A 48 -5.964 3.237 -1.171 1.00 23.15 C ATOM 752 CG1 ILE A 48 -6.865 2.570 -0.129 1.00 61.41 C ATOM 753 CG2 ILE A 48 -4.553 3.408 -0.627 1.00 63.23 C ATOM 754 CD1 ILE A 48 -6.362 1.216 0.326 1.00 55.21 C ATOM 0 H ILE A 48 -6.954 5.033 0.425 1.00 63.32 H new ATOM 0 HA ILE A 48 -5.860 5.081 -2.284 1.00 13.45 H new ATOM 0 HB ILE A 48 -5.919 2.594 -2.050 1.00 23.15 H new ATOM 0 HG12 ILE A 48 -6.953 3.226 0.737 1.00 61.41 H new ATOM 0 HG13 ILE A 48 -7.866 2.456 -0.545 1.00 61.41 H new ATOM 0 HG21 ILE A 48 -4.154 2.436 -0.338 1.00 63.23 H new ATOM 0 HG22 ILE A 48 -3.917 3.847 -1.396 1.00 63.23 H new ATOM 0 HG23 ILE A 48 -4.576 4.064 0.243 1.00 63.23 H new ATOM 0 HD11 ILE A 48 -7.049 0.802 1.064 1.00 55.21 H new ATOM 0 HD12 ILE A 48 -6.301 0.544 -0.530 1.00 55.21 H new ATOM 0 HD13 ILE A 48 -5.374 1.326 0.772 1.00 55.21 H new ATOM 1035 N THR A 62 7.164 11.723 -17.321 1.00 41.11 N ATOM 1036 CA THR A 62 8.237 12.708 -17.365 1.00 54.32 C ATOM 1037 C THR A 62 7.718 14.102 -17.034 1.00 25.12 C ATOM 1038 O THR A 62 6.530 14.384 -17.187 1.00 10.04 O ATOM 1039 CB THR A 62 8.914 12.740 -18.750 1.00 1.05 C ATOM 1040 OG1 THR A 62 8.603 11.545 -19.475 1.00 4.35 O ATOM 1041 CG2 THR A 62 10.422 12.878 -18.611 1.00 55.21 C ATOM 0 HA THR A 62 8.971 12.409 -16.616 1.00 54.32 H new ATOM 0 HB THR A 62 8.535 13.604 -19.296 1.00 1.05 H new ATOM 0 HG1 THR A 62 7.920 11.037 -18.990 1.00 4.35 H new ATOM 0 HG21 THR A 62 10.878 12.898 -19.601 1.00 55.21 H new ATOM 0 HG22 THR A 62 10.656 13.803 -18.085 1.00 55.21 H new ATOM 0 HG23 THR A 62 10.814 12.031 -18.048 1.00 55.21 H new ATOM 1049 N GLU A 63 8.616 14.971 -16.578 1.00 74.15 N ATOM 1050 CA GLU A 63 8.247 16.336 -16.225 1.00 15.42 C ATOM 1051 C GLU A 63 7.766 17.105 -17.453 1.00 73.21 C ATOM 1052 O GLU A 63 6.860 17.932 -17.363 1.00 74.03 O ATOM 1053 CB GLU A 63 9.434 17.061 -15.589 1.00 62.13 C ATOM 1054 CG GLU A 63 9.514 16.892 -14.081 1.00 60.22 C ATOM 1055 CD GLU A 63 10.941 16.845 -13.574 1.00 5.53 C ATOM 1056 OE1 GLU A 63 11.782 17.606 -14.098 1.00 2.25 O ATOM 1057 OE2 GLU A 63 11.219 16.047 -12.653 1.00 41.52 O ATOM 0 H GLU A 63 9.604 14.753 -16.445 1.00 74.15 H new ATOM 0 HA GLU A 63 7.431 16.289 -15.504 1.00 15.42 H new ATOM 0 HB2 GLU A 63 10.357 16.692 -16.037 1.00 62.13 H new ATOM 0 HB3 GLU A 63 9.368 18.123 -15.824 1.00 62.13 H new ATOM 0 HG2 GLU A 63 8.988 17.716 -13.599 1.00 60.22 H new ATOM 0 HG3 GLU A 63 9.000 15.974 -13.794 1.00 60.22 H new ATOM 1064 N GLU A 64 8.380 16.825 -18.598 1.00 44.43 N ATOM 1065 CA GLU A 64 8.017 17.491 -19.842 1.00 53.25 C ATOM 1066 C GLU A 64 6.701 16.943 -20.387 1.00 54.22 C ATOM 1067 O GLU A 64 5.933 17.665 -21.023 1.00 60.14 O ATOM 1068 CB GLU A 64 9.125 17.316 -20.883 1.00 53.41 C ATOM 1069 CG GLU A 64 9.539 18.615 -21.554 1.00 72.55 C ATOM 1070 CD GLU A 64 8.984 18.748 -22.959 1.00 13.30 C ATOM 1071 OE1 GLU A 64 9.600 18.200 -23.897 1.00 3.12 O ATOM 1072 OE2 GLU A 64 7.933 19.403 -23.121 1.00 60.31 O ATOM 0 H GLU A 64 9.131 16.141 -18.689 1.00 44.43 H new ATOM 0 HA GLU A 64 7.890 18.553 -19.633 1.00 53.25 H new ATOM 0 HB2 GLU A 64 9.996 16.871 -20.403 1.00 53.41 H new ATOM 0 HB3 GLU A 64 8.788 16.614 -21.646 1.00 53.41 H new ATOM 0 HG2 GLU A 64 9.197 19.456 -20.951 1.00 72.55 H new ATOM 0 HG3 GLU A 64 10.627 18.670 -21.590 1.00 72.55 H new ATOM 1079 N GLU A 65 6.449 15.663 -20.135 1.00 10.12 N ATOM 1080 CA GLU A 65 5.227 15.019 -20.601 1.00 4.11 C ATOM 1081 C GLU A 65 3.999 15.643 -19.946 1.00 14.03 C ATOM 1082 O GLU A 65 2.952 15.793 -20.579 1.00 23.35 O ATOM 1083 CB GLU A 65 5.269 13.518 -20.304 1.00 44.13 C ATOM 1084 CG GLU A 65 6.310 12.766 -21.117 1.00 32.11 C ATOM 1085 CD GLU A 65 6.153 11.261 -21.015 1.00 12.45 C ATOM 1086 OE1 GLU A 65 5.070 10.804 -20.596 1.00 30.43 O ATOM 1087 OE2 GLU A 65 7.115 10.541 -21.356 1.00 2.32 O ATOM 0 H GLU A 65 7.075 15.051 -19.611 1.00 10.12 H new ATOM 0 HA GLU A 65 5.158 15.167 -21.679 1.00 4.11 H new ATOM 0 HB2 GLU A 65 5.473 13.372 -19.243 1.00 44.13 H new ATOM 0 HB3 GLU A 65 4.287 13.089 -20.502 1.00 44.13 H new ATOM 0 HG2 GLU A 65 6.235 13.065 -22.162 1.00 32.11 H new ATOM 0 HG3 GLU A 65 7.306 13.048 -20.775 1.00 32.11 H new ATOM 1094 N LEU A 66 4.133 16.006 -18.675 1.00 52.23 N ATOM 1095 CA LEU A 66 3.034 16.614 -17.933 1.00 44.42 C ATOM 1096 C LEU A 66 2.703 17.997 -18.485 1.00 52.35 C ATOM 1097 O LEU A 66 1.549 18.423 -18.468 1.00 54.11 O ATOM 1098 CB LEU A 66 3.391 16.717 -16.449 1.00 40.23 C ATOM 1099 CG LEU A 66 3.574 15.392 -15.709 1.00 51.33 C ATOM 1100 CD1 LEU A 66 4.474 15.577 -14.498 1.00 3.13 C ATOM 1101 CD2 LEU A 66 2.225 14.823 -15.292 1.00 72.15 C ATOM 0 H LEU A 66 4.992 15.890 -18.137 1.00 52.23 H new ATOM 0 HA LEU A 66 2.156 15.978 -18.047 1.00 44.42 H new ATOM 0 HB2 LEU A 66 4.312 17.292 -16.357 1.00 40.23 H new ATOM 0 HB3 LEU A 66 2.609 17.286 -15.946 1.00 40.23 H new ATOM 0 HG LEU A 66 4.051 14.683 -16.385 1.00 51.33 H new ATOM 0 HD11 LEU A 66 4.593 14.623 -13.984 1.00 3.13 H new ATOM 0 HD12 LEU A 66 5.450 15.939 -14.822 1.00 3.13 H new ATOM 0 HD13 LEU A 66 4.026 16.302 -13.819 1.00 3.13 H new ATOM 0 HD21 LEU A 66 2.375 13.880 -14.767 1.00 72.15 H new ATOM 0 HD22 LEU A 66 1.720 15.529 -14.633 1.00 72.15 H new ATOM 0 HD23 LEU A 66 1.613 14.652 -16.177 1.00 72.15 H new ATOM 1113 N ALA A 67 3.724 18.692 -18.976 1.00 21.00 N ATOM 1114 CA ALA A 67 3.542 20.025 -19.538 1.00 22.15 C ATOM 1115 C ALA A 67 3.016 19.951 -20.967 1.00 32.53 C ATOM 1116 O ALA A 67 2.334 20.863 -21.438 1.00 45.11 O ATOM 1117 CB ALA A 67 4.850 20.800 -19.495 1.00 21.32 C ATOM 0 H ALA A 67 4.686 18.354 -18.996 1.00 21.00 H new ATOM 0 HA ALA A 67 2.802 20.549 -18.933 1.00 22.15 H new ATOM 0 HB1 ALA A 67 4.699 21.793 -19.918 1.00 21.32 H new ATOM 0 HB2 ALA A 67 5.184 20.893 -18.462 1.00 21.32 H new ATOM 0 HB3 ALA A 67 5.606 20.270 -20.075 1.00 21.32 H new ATOM 1123 N THR A 68 3.334 18.859 -21.655 1.00 43.42 N ATOM 1124 CA THR A 68 2.896 18.667 -23.031 1.00 33.31 C ATOM 1125 C THR A 68 1.482 18.101 -23.083 1.00 0.04 C ATOM 1126 O THR A 68 0.665 18.522 -23.903 1.00 10.02 O ATOM 1127 CB THR A 68 3.843 17.723 -23.796 1.00 35.14 C ATOM 1128 OG1 THR A 68 5.195 18.182 -23.675 1.00 33.52 O ATOM 1129 CG2 THR A 68 3.458 17.644 -25.266 1.00 13.24 C ATOM 0 H THR A 68 3.894 18.093 -21.281 1.00 43.42 H new ATOM 0 HA THR A 68 2.910 19.647 -23.507 1.00 33.31 H new ATOM 0 HB THR A 68 3.757 16.727 -23.361 1.00 35.14 H new ATOM 0 HG1 THR A 68 5.512 18.028 -22.760 1.00 33.52 H new ATOM 0 HG21 THR A 68 4.141 16.972 -25.785 1.00 13.24 H new ATOM 0 HG22 THR A 68 2.439 17.267 -25.356 1.00 13.24 H new ATOM 0 HG23 THR A 68 3.518 18.637 -25.712 1.00 13.24 H new ATOM 1137 N ILE A 69 1.198 17.147 -22.203 1.00 50.05 N ATOM 1138 CA ILE A 69 -0.119 16.525 -22.149 1.00 11.02 C ATOM 1139 C ILE A 69 -1.197 17.550 -21.814 1.00 42.00 C ATOM 1140 O ILE A 69 -2.307 17.494 -22.343 1.00 62.21 O ATOM 1141 CB ILE A 69 -0.163 15.390 -21.108 1.00 23.33 C ATOM 1142 CG1 ILE A 69 -1.545 14.735 -21.095 1.00 21.34 C ATOM 1143 CG2 ILE A 69 0.189 15.924 -19.728 1.00 63.44 C ATOM 1144 CD1 ILE A 69 -1.522 13.284 -20.669 1.00 20.23 C ATOM 0 H ILE A 69 1.862 16.788 -21.518 1.00 50.05 H new ATOM 0 HA ILE A 69 -0.312 16.108 -23.137 1.00 11.02 H new ATOM 0 HB ILE A 69 0.574 14.635 -21.383 1.00 23.33 H new ATOM 0 HG12 ILE A 69 -2.196 15.293 -20.422 1.00 21.34 H new ATOM 0 HG13 ILE A 69 -1.981 14.806 -22.091 1.00 21.34 H new ATOM 0 HG21 ILE A 69 0.154 15.111 -19.003 1.00 63.44 H new ATOM 0 HG22 ILE A 69 1.192 16.349 -19.748 1.00 63.44 H new ATOM 0 HG23 ILE A 69 -0.527 16.695 -19.443 1.00 63.44 H new ATOM 0 HD11 ILE A 69 -2.536 12.885 -20.683 1.00 20.23 H new ATOM 0 HD12 ILE A 69 -0.897 12.713 -21.356 1.00 20.23 H new ATOM 0 HD13 ILE A 69 -1.116 13.207 -19.660 1.00 20.23 H new ATOM 1156 N ARG A 70 -0.862 18.486 -20.932 1.00 41.43 N ATOM 1157 CA ARG A 70 -1.801 19.525 -20.526 1.00 64.20 C ATOM 1158 C ARG A 70 -2.309 20.302 -21.737 1.00 71.33 C ATOM 1159 O ARG A 70 -3.383 20.900 -21.696 1.00 74.22 O ATOM 1160 CB ARG A 70 -1.138 20.482 -19.534 1.00 3.13 C ATOM 1161 CG ARG A 70 -0.199 21.483 -20.187 1.00 34.11 C ATOM 1162 CD ARG A 70 -0.851 22.851 -20.321 1.00 3.52 C ATOM 1163 NE ARG A 70 -0.410 23.771 -19.275 1.00 41.45 N ATOM 1164 CZ ARG A 70 0.795 24.330 -19.248 1.00 54.42 C ATOM 1165 NH1 ARG A 70 1.675 24.065 -20.204 1.00 74.41 N ATOM 1166 NH2 ARG A 70 1.121 25.157 -18.264 1.00 4.21 N ATOM 0 H ARG A 70 0.053 18.546 -20.485 1.00 41.43 H new ATOM 0 HA ARG A 70 -2.651 19.043 -20.043 1.00 64.20 H new ATOM 0 HB2 ARG A 70 -1.913 21.024 -18.992 1.00 3.13 H new ATOM 0 HB3 ARG A 70 -0.581 19.901 -18.799 1.00 3.13 H new ATOM 0 HG2 ARG A 70 0.712 21.569 -19.595 1.00 34.11 H new ATOM 0 HG3 ARG A 70 0.094 21.120 -21.172 1.00 34.11 H new ATOM 0 HD2 ARG A 70 -0.614 23.272 -21.298 1.00 3.52 H new ATOM 0 HD3 ARG A 70 -1.935 22.742 -20.275 1.00 3.52 H new ATOM 0 HE ARG A 70 -1.063 23.996 -18.525 1.00 41.45 H new ATOM 0 HH11 ARG A 70 1.428 23.430 -20.963 1.00 74.41 H new ATOM 0 HH12 ARG A 70 2.599 24.496 -20.180 1.00 74.41 H new ATOM 0 HH21 ARG A 70 0.447 25.364 -17.527 1.00 4.21 H new ATOM 0 HH22 ARG A 70 2.046 25.586 -18.244 1.00 4.21 H new ATOM 1180 N GLU A 71 -1.527 20.287 -22.813 1.00 35.03 N ATOM 1181 CA GLU A 71 -1.899 20.992 -24.034 1.00 42.44 C ATOM 1182 C GLU A 71 -3.293 20.580 -24.498 1.00 50.25 C ATOM 1183 O GLU A 71 -4.022 21.374 -25.095 1.00 4.52 O ATOM 1184 CB GLU A 71 -0.878 20.714 -25.140 1.00 51.42 C ATOM 1185 CG GLU A 71 0.507 21.262 -24.842 1.00 44.51 C ATOM 1186 CD GLU A 71 0.658 22.717 -25.241 1.00 55.11 C ATOM 1187 OE1 GLU A 71 0.138 23.588 -24.513 1.00 34.22 O ATOM 1188 OE2 GLU A 71 1.295 22.984 -26.281 1.00 0.10 O ATOM 0 H GLU A 71 -0.635 19.796 -22.863 1.00 35.03 H new ATOM 0 HA GLU A 71 -1.909 22.060 -23.818 1.00 42.44 H new ATOM 0 HB2 GLU A 71 -0.808 19.637 -25.296 1.00 51.42 H new ATOM 0 HB3 GLU A 71 -1.238 21.148 -26.073 1.00 51.42 H new ATOM 0 HG2 GLU A 71 0.713 21.158 -23.777 1.00 44.51 H new ATOM 0 HG3 GLU A 71 1.251 20.665 -25.370 1.00 44.51 H new ATOM 1195 N LEU A 72 -3.657 19.333 -24.221 1.00 63.21 N ATOM 1196 CA LEU A 72 -4.964 18.814 -24.610 1.00 64.41 C ATOM 1197 C LEU A 72 -6.083 19.719 -24.105 1.00 61.12 C ATOM 1198 O LEU A 72 -7.193 19.706 -24.636 1.00 53.42 O ATOM 1199 CB LEU A 72 -5.153 17.397 -24.065 1.00 31.35 C ATOM 1200 CG LEU A 72 -5.773 17.291 -22.671 1.00 34.22 C ATOM 1201 CD1 LEU A 72 -5.027 18.176 -21.687 1.00 4.42 C ATOM 1202 CD2 LEU A 72 -7.249 17.664 -22.714 1.00 61.33 C ATOM 0 H LEU A 72 -3.066 18.663 -23.729 1.00 63.21 H new ATOM 0 HA LEU A 72 -5.008 18.788 -25.699 1.00 64.41 H new ATOM 0 HB2 LEU A 72 -5.780 16.842 -24.763 1.00 31.35 H new ATOM 0 HB3 LEU A 72 -4.181 16.904 -24.047 1.00 31.35 H new ATOM 0 HG LEU A 72 -5.689 16.258 -22.334 1.00 34.22 H new ATOM 0 HD11 LEU A 72 -5.482 18.088 -20.701 1.00 4.42 H new ATOM 0 HD12 LEU A 72 -3.984 17.863 -21.635 1.00 4.42 H new ATOM 0 HD13 LEU A 72 -5.079 19.213 -22.019 1.00 4.42 H new ATOM 0 HD21 LEU A 72 -7.674 17.583 -21.714 1.00 61.33 H new ATOM 0 HD22 LEU A 72 -7.355 18.688 -23.072 1.00 61.33 H new ATOM 0 HD23 LEU A 72 -7.776 16.988 -23.388 1.00 61.33 H new ATOM 1214 N TYR A 73 -5.781 20.506 -23.077 1.00 73.52 N ATOM 1215 CA TYR A 73 -6.762 21.418 -22.500 1.00 64.12 C ATOM 1216 C TYR A 73 -6.905 22.674 -23.354 1.00 53.11 C ATOM 1217 O TYR A 73 -8.007 23.195 -23.532 1.00 11.23 O ATOM 1218 CB TYR A 73 -6.356 21.800 -21.076 1.00 31.14 C ATOM 1219 CG TYR A 73 -7.464 21.622 -20.062 1.00 52.02 C ATOM 1220 CD1 TYR A 73 -8.704 22.222 -20.247 1.00 25.12 C ATOM 1221 CD2 TYR A 73 -7.271 20.853 -18.922 1.00 32.45 C ATOM 1222 CE1 TYR A 73 -9.718 22.063 -19.322 1.00 74.24 C ATOM 1223 CE2 TYR A 73 -8.281 20.686 -17.993 1.00 14.02 C ATOM 1224 CZ TYR A 73 -9.503 21.293 -18.198 1.00 0.50 C ATOM 1225 OH TYR A 73 -10.512 21.131 -17.277 1.00 24.13 O ATOM 0 H TYR A 73 -4.866 20.530 -22.627 1.00 73.52 H new ATOM 0 HA TYR A 73 -7.725 20.907 -22.472 1.00 64.12 H new ATOM 0 HB2 TYR A 73 -5.500 21.195 -20.777 1.00 31.14 H new ATOM 0 HB3 TYR A 73 -6.030 22.840 -21.067 1.00 31.14 H new ATOM 0 HD1 TYR A 73 -8.878 22.822 -21.128 1.00 25.12 H new ATOM 0 HD2 TYR A 73 -6.315 20.377 -18.758 1.00 32.45 H new ATOM 0 HE1 TYR A 73 -10.675 22.539 -19.478 1.00 74.24 H new ATOM 0 HE2 TYR A 73 -8.115 20.084 -17.112 1.00 14.02 H new ATOM 0 HH TYR A 73 -10.198 20.560 -16.545 1.00 24.13 H new ATOM 1235 N LEU A 74 -5.785 23.154 -23.882 1.00 11.24 N ATOM 1236 CA LEU A 74 -5.785 24.350 -24.719 1.00 44.22 C ATOM 1237 C LEU A 74 -6.361 24.048 -26.098 1.00 21.25 C ATOM 1238 O LEU A 74 -7.178 24.807 -26.620 1.00 75.02 O ATOM 1239 CB LEU A 74 -4.363 24.898 -24.856 1.00 52.30 C ATOM 1240 CG LEU A 74 -3.751 25.503 -23.592 1.00 14.34 C ATOM 1241 CD1 LEU A 74 -4.712 26.496 -22.956 1.00 34.00 C ATOM 1242 CD2 LEU A 74 -3.381 24.408 -22.602 1.00 73.13 C ATOM 0 H LEU A 74 -4.865 22.734 -23.746 1.00 11.24 H new ATOM 0 HA LEU A 74 -6.413 25.101 -24.240 1.00 44.22 H new ATOM 0 HB2 LEU A 74 -3.716 24.091 -25.198 1.00 52.30 H new ATOM 0 HB3 LEU A 74 -4.362 25.659 -25.636 1.00 52.30 H new ATOM 0 HG LEU A 74 -2.842 26.036 -23.871 1.00 14.34 H new ATOM 0 HD11 LEU A 74 -4.259 26.916 -22.058 1.00 34.00 H new ATOM 0 HD12 LEU A 74 -4.928 27.297 -23.663 1.00 34.00 H new ATOM 0 HD13 LEU A 74 -5.639 25.987 -22.691 1.00 34.00 H new ATOM 0 HD21 LEU A 74 -2.947 24.857 -21.709 1.00 73.13 H new ATOM 0 HD22 LEU A 74 -4.275 23.847 -22.329 1.00 73.13 H new ATOM 0 HD23 LEU A 74 -2.656 23.735 -23.059 1.00 73.13 H new ATOM 1254 N LYS A 75 -5.933 22.935 -26.682 1.00 73.44 N ATOM 1255 CA LYS A 75 -6.409 22.530 -28.000 1.00 33.22 C ATOM 1256 C LYS A 75 -7.744 21.798 -27.894 1.00 74.24 C ATOM 1257 O LYS A 75 -8.487 21.698 -28.870 1.00 53.04 O ATOM 1258 CB LYS A 75 -5.376 21.632 -28.685 1.00 34.13 C ATOM 1259 CG LYS A 75 -4.023 22.296 -28.869 1.00 65.25 C ATOM 1260 CD LYS A 75 -3.190 21.580 -29.919 1.00 55.42 C ATOM 1261 CE LYS A 75 -2.280 20.535 -29.293 1.00 62.12 C ATOM 1262 NZ LYS A 75 -2.208 19.296 -30.117 1.00 71.02 N ATOM 0 H LYS A 75 -5.257 22.296 -26.264 1.00 73.44 H new ATOM 0 HA LYS A 75 -6.553 23.429 -28.599 1.00 33.22 H new ATOM 0 HB2 LYS A 75 -5.249 20.723 -28.096 1.00 34.13 H new ATOM 0 HB3 LYS A 75 -5.759 21.329 -29.660 1.00 34.13 H new ATOM 0 HG2 LYS A 75 -4.164 23.336 -29.162 1.00 65.25 H new ATOM 0 HG3 LYS A 75 -3.487 22.302 -27.920 1.00 65.25 H new ATOM 0 HD2 LYS A 75 -3.849 21.102 -30.644 1.00 55.42 H new ATOM 0 HD3 LYS A 75 -2.589 22.307 -30.465 1.00 55.42 H new ATOM 0 HE2 LYS A 75 -1.279 20.950 -29.173 1.00 62.12 H new ATOM 0 HE3 LYS A 75 -2.644 20.287 -28.296 1.00 62.12 H new ATOM 0 HZ1 LYS A 75 -1.578 18.609 -29.656 1.00 71.02 H new ATOM 0 HZ2 LYS A 75 -3.159 18.885 -30.210 1.00 71.02 H new ATOM 0 HZ3 LYS A 75 -1.837 19.528 -31.060 1.00 71.02 H new ATOM 1276 N GLY A 76 -8.042 21.288 -26.703 1.00 74.44 N ATOM 1277 CA GLY A 76 -9.288 20.574 -26.494 1.00 25.22 C ATOM 1278 C GLY A 76 -9.221 19.139 -26.977 1.00 73.24 C ATOM 1279 O GLY A 76 -10.249 18.480 -27.133 1.00 12.24 O ATOM 0 H GLY A 76 -7.443 21.356 -25.880 1.00 74.44 H new ATOM 0 HA2 GLY A 76 -9.536 20.586 -25.433 1.00 25.22 H new ATOM 0 HA3 GLY A 76 -10.092 21.093 -27.016 1.00 25.22 H new ATOM 1283 N ALA A 77 -8.008 18.652 -27.219 1.00 4.35 N ATOM 1284 CA ALA A 77 -7.812 17.286 -27.687 1.00 14.51 C ATOM 1285 C ALA A 77 -8.318 16.276 -26.663 1.00 21.41 C ATOM 1286 O ALA A 77 -8.682 16.639 -25.543 1.00 51.13 O ATOM 1287 CB ALA A 77 -6.342 17.039 -27.992 1.00 54.14 C ATOM 0 H ALA A 77 -7.146 19.184 -27.098 1.00 4.35 H new ATOM 0 HA ALA A 77 -8.389 17.156 -28.602 1.00 14.51 H new ATOM 0 HB1 ALA A 77 -6.210 16.015 -28.341 1.00 54.14 H new ATOM 0 HB2 ALA A 77 -6.010 17.731 -28.765 1.00 54.14 H new ATOM 0 HB3 ALA A 77 -5.752 17.194 -27.089 1.00 54.14 H new ATOM 1293 N THR A 78 -8.341 15.005 -27.053 1.00 53.41 N ATOM 1294 CA THR A 78 -8.804 13.943 -26.170 1.00 41.11 C ATOM 1295 C THR A 78 -7.680 12.964 -25.849 1.00 54.34 C ATOM 1296 O THR A 78 -6.561 13.104 -26.344 1.00 13.34 O ATOM 1297 CB THR A 78 -9.981 13.168 -26.792 1.00 32.32 C ATOM 1298 OG1 THR A 78 -9.561 12.530 -28.004 1.00 22.45 O ATOM 1299 CG2 THR A 78 -11.149 14.100 -27.083 1.00 65.41 C ATOM 0 H THR A 78 -8.044 14.687 -27.975 1.00 53.41 H new ATOM 0 HA THR A 78 -9.139 14.422 -25.250 1.00 41.11 H new ATOM 0 HB THR A 78 -10.308 12.412 -26.078 1.00 32.32 H new ATOM 0 HG1 THR A 78 -10.314 12.038 -28.393 1.00 22.45 H new ATOM 0 HG21 THR A 78 -11.968 13.531 -27.522 1.00 65.41 H new ATOM 0 HG22 THR A 78 -11.485 14.563 -26.155 1.00 65.41 H new ATOM 0 HG23 THR A 78 -10.831 14.875 -27.781 1.00 65.41 H new ATOM 1307 N VAL A 79 -7.984 11.972 -25.018 1.00 55.11 N ATOM 1308 CA VAL A 79 -6.999 10.969 -24.632 1.00 73.04 C ATOM 1309 C VAL A 79 -6.384 10.303 -25.859 1.00 3.41 C ATOM 1310 O VAL A 79 -5.217 9.913 -25.846 1.00 65.10 O ATOM 1311 CB VAL A 79 -7.624 9.886 -23.733 1.00 62.12 C ATOM 1312 CG1 VAL A 79 -6.552 8.940 -23.213 1.00 51.13 C ATOM 1313 CG2 VAL A 79 -8.386 10.524 -22.582 1.00 45.54 C ATOM 0 H VAL A 79 -8.905 11.842 -24.599 1.00 55.11 H new ATOM 0 HA VAL A 79 -6.220 11.488 -24.074 1.00 73.04 H new ATOM 0 HB VAL A 79 -8.329 9.306 -24.329 1.00 62.12 H new ATOM 0 HG11 VAL A 79 -7.012 8.182 -22.580 1.00 51.13 H new ATOM 0 HG12 VAL A 79 -6.054 8.457 -24.054 1.00 51.13 H new ATOM 0 HG13 VAL A 79 -5.821 9.503 -22.632 1.00 51.13 H new ATOM 0 HG21 VAL A 79 -8.821 9.744 -21.957 1.00 45.54 H new ATOM 0 HG22 VAL A 79 -7.704 11.129 -21.985 1.00 45.54 H new ATOM 0 HG23 VAL A 79 -9.180 11.157 -22.978 1.00 45.54 H new ATOM 1323 N TYR A 80 -7.177 10.178 -26.917 1.00 44.33 N ATOM 1324 CA TYR A 80 -6.711 9.558 -28.152 1.00 20.31 C ATOM 1325 C TYR A 80 -5.753 10.481 -28.898 1.00 3.21 C ATOM 1326 O TYR A 80 -4.915 10.026 -29.675 1.00 30.21 O ATOM 1327 CB TYR A 80 -7.899 9.205 -29.049 1.00 21.23 C ATOM 1328 CG TYR A 80 -7.546 8.259 -30.175 1.00 75.30 C ATOM 1329 CD1 TYR A 80 -7.446 6.891 -29.954 1.00 52.24 C ATOM 1330 CD2 TYR A 80 -7.314 8.734 -31.460 1.00 12.21 C ATOM 1331 CE1 TYR A 80 -7.123 6.024 -30.980 1.00 60.23 C ATOM 1332 CE2 TYR A 80 -6.993 7.874 -32.492 1.00 34.13 C ATOM 1333 CZ TYR A 80 -6.899 6.520 -32.248 1.00 24.11 C ATOM 1334 OH TYR A 80 -6.577 5.660 -33.273 1.00 1.43 O ATOM 0 H TYR A 80 -8.145 10.498 -26.945 1.00 44.33 H new ATOM 0 HA TYR A 80 -6.176 8.645 -27.891 1.00 20.31 H new ATOM 0 HB2 TYR A 80 -8.683 8.755 -28.440 1.00 21.23 H new ATOM 0 HB3 TYR A 80 -8.310 10.122 -29.471 1.00 21.23 H new ATOM 0 HD1 TYR A 80 -7.624 6.499 -28.964 1.00 52.24 H new ATOM 0 HD2 TYR A 80 -7.386 9.794 -31.655 1.00 12.21 H new ATOM 0 HE1 TYR A 80 -7.046 4.964 -30.791 1.00 60.23 H new ATOM 0 HE2 TYR A 80 -6.816 8.260 -33.485 1.00 34.13 H new ATOM 0 HH TYR A 80 -6.453 6.170 -34.101 1.00 1.43 H new ATOM 1344 N GLU A 81 -5.883 11.781 -28.654 1.00 33.32 N ATOM 1345 CA GLU A 81 -5.030 12.769 -29.302 1.00 11.33 C ATOM 1346 C GLU A 81 -3.645 12.795 -28.661 1.00 12.42 C ATOM 1347 O GLU A 81 -2.629 12.683 -29.349 1.00 15.22 O ATOM 1348 CB GLU A 81 -5.668 14.158 -29.222 1.00 44.43 C ATOM 1349 CG GLU A 81 -6.843 14.343 -30.166 1.00 54.52 C ATOM 1350 CD GLU A 81 -6.434 14.287 -31.626 1.00 3.54 C ATOM 1351 OE1 GLU A 81 -5.701 15.195 -32.072 1.00 60.10 O ATOM 1352 OE2 GLU A 81 -6.847 13.336 -32.321 1.00 52.33 O ATOM 0 H GLU A 81 -6.571 12.174 -28.012 1.00 33.32 H new ATOM 0 HA GLU A 81 -4.922 12.487 -30.349 1.00 11.33 H new ATOM 0 HB2 GLU A 81 -6.002 14.337 -28.200 1.00 44.43 H new ATOM 0 HB3 GLU A 81 -4.911 14.910 -29.446 1.00 44.43 H new ATOM 0 HG2 GLU A 81 -7.586 13.570 -29.971 1.00 54.52 H new ATOM 0 HG3 GLU A 81 -7.320 15.302 -29.963 1.00 54.52 H new ATOM 1359 N ILE A 82 -3.613 12.945 -27.342 1.00 25.11 N ATOM 1360 CA ILE A 82 -2.354 12.985 -26.608 1.00 52.02 C ATOM 1361 C ILE A 82 -1.496 11.763 -26.920 1.00 13.31 C ATOM 1362 O ILE A 82 -0.268 11.841 -26.928 1.00 60.40 O ATOM 1363 CB ILE A 82 -2.590 13.057 -25.088 1.00 64.21 C ATOM 1364 CG1 ILE A 82 -3.558 11.957 -24.648 1.00 23.21 C ATOM 1365 CG2 ILE A 82 -3.125 14.427 -24.699 1.00 2.51 C ATOM 1366 CD1 ILE A 82 -3.802 11.929 -23.155 1.00 21.34 C ATOM 0 H ILE A 82 -4.444 13.041 -26.759 1.00 25.11 H new ATOM 0 HA ILE A 82 -1.831 13.885 -26.929 1.00 52.02 H new ATOM 0 HB ILE A 82 -1.638 12.903 -24.580 1.00 64.21 H new ATOM 0 HG12 ILE A 82 -4.510 12.095 -25.161 1.00 23.21 H new ATOM 0 HG13 ILE A 82 -3.164 10.990 -24.962 1.00 23.21 H new ATOM 0 HG21 ILE A 82 -3.287 14.462 -23.622 1.00 2.51 H new ATOM 0 HG22 ILE A 82 -2.404 15.193 -24.983 1.00 2.51 H new ATOM 0 HG23 ILE A 82 -4.069 14.609 -25.214 1.00 2.51 H new ATOM 0 HD11 ILE A 82 -4.498 11.125 -22.915 1.00 21.34 H new ATOM 0 HD12 ILE A 82 -2.859 11.760 -22.635 1.00 21.34 H new ATOM 0 HD13 ILE A 82 -4.226 12.882 -22.838 1.00 21.34 H new ATOM 1378 N ALA A 83 -2.152 10.637 -27.180 1.00 34.44 N ATOM 1379 CA ALA A 83 -1.450 9.400 -27.497 1.00 70.20 C ATOM 1380 C ALA A 83 -0.636 9.544 -28.779 1.00 10.43 C ATOM 1381 O ALA A 83 0.549 9.213 -28.813 1.00 45.11 O ATOM 1382 CB ALA A 83 -2.438 8.250 -27.624 1.00 53.20 C ATOM 0 H ALA A 83 -3.169 10.556 -27.177 1.00 34.44 H new ATOM 0 HA ALA A 83 -0.760 9.184 -26.681 1.00 70.20 H new ATOM 0 HB1 ALA A 83 -1.900 7.332 -27.861 1.00 53.20 H new ATOM 0 HB2 ALA A 83 -2.973 8.124 -26.683 1.00 53.20 H new ATOM 0 HB3 ALA A 83 -3.150 8.468 -28.420 1.00 53.20 H new ATOM 1388 N ARG A 84 -1.279 10.039 -29.831 1.00 62.33 N ATOM 1389 CA ARG A 84 -0.615 10.225 -31.115 1.00 63.34 C ATOM 1390 C ARG A 84 0.350 11.406 -31.062 1.00 63.15 C ATOM 1391 O ARG A 84 1.477 11.321 -31.550 1.00 31.33 O ATOM 1392 CB ARG A 84 -1.648 10.446 -32.221 1.00 54.12 C ATOM 1393 CG ARG A 84 -2.269 9.160 -32.741 1.00 24.32 C ATOM 1394 CD ARG A 84 -3.735 9.351 -33.092 1.00 13.34 C ATOM 1395 NE ARG A 84 -3.923 9.664 -34.506 1.00 74.33 N ATOM 1396 CZ ARG A 84 -5.019 10.235 -34.994 1.00 60.25 C ATOM 1397 NH1 ARG A 84 -6.020 10.555 -34.185 1.00 1.40 N ATOM 1398 NH2 ARG A 84 -5.116 10.487 -36.293 1.00 2.31 N ATOM 0 H ARG A 84 -2.260 10.319 -29.819 1.00 62.33 H new ATOM 0 HA ARG A 84 -0.046 9.322 -31.335 1.00 63.34 H new ATOM 0 HB2 ARG A 84 -2.439 11.094 -31.844 1.00 54.12 H new ATOM 0 HB3 ARG A 84 -1.173 10.971 -33.050 1.00 54.12 H new ATOM 0 HG2 ARG A 84 -1.724 8.822 -33.622 1.00 24.32 H new ATOM 0 HG3 ARG A 84 -2.173 8.378 -31.988 1.00 24.32 H new ATOM 0 HD2 ARG A 84 -4.288 8.445 -32.845 1.00 13.34 H new ATOM 0 HD3 ARG A 84 -4.152 10.154 -32.484 1.00 13.34 H new ATOM 0 HE ARG A 84 -3.171 9.431 -35.155 1.00 74.33 H new ATOM 0 HH11 ARG A 84 -5.950 10.363 -33.186 1.00 1.40 H new ATOM 0 HH12 ARG A 84 -6.860 10.993 -34.562 1.00 1.40 H new ATOM 0 HH21 ARG A 84 -4.348 10.242 -36.919 1.00 2.31 H new ATOM 0 HH22 ARG A 84 -5.958 10.925 -36.666 1.00 2.31 H new ATOM 1412 N GLN A 85 -0.100 12.505 -30.466 1.00 42.12 N ATOM 1413 CA GLN A 85 0.723 13.703 -30.351 1.00 41.21 C ATOM 1414 C GLN A 85 2.064 13.381 -29.701 1.00 64.13 C ATOM 1415 O GLN A 85 3.123 13.654 -30.269 1.00 42.31 O ATOM 1416 CB GLN A 85 -0.007 14.773 -29.538 1.00 25.34 C ATOM 1417 CG GLN A 85 0.708 16.114 -29.516 1.00 4.44 C ATOM 1418 CD GLN A 85 1.018 16.633 -30.906 1.00 54.21 C ATOM 1419 OE1 GLN A 85 0.307 16.334 -31.866 1.00 72.51 O ATOM 1420 NE2 GLN A 85 2.084 17.416 -31.022 1.00 50.44 N ATOM 0 H GLN A 85 -1.030 12.591 -30.055 1.00 42.12 H new ATOM 0 HA GLN A 85 0.908 14.084 -31.355 1.00 41.21 H new ATOM 0 HB2 GLN A 85 -1.007 14.911 -29.949 1.00 25.34 H new ATOM 0 HB3 GLN A 85 -0.129 14.419 -28.514 1.00 25.34 H new ATOM 0 HG2 GLN A 85 0.091 16.842 -28.990 1.00 4.44 H new ATOM 0 HG3 GLN A 85 1.636 16.017 -28.953 1.00 4.44 H new ATOM 0 HE21 GLN A 85 2.645 17.638 -30.200 1.00 50.44 H new ATOM 0 HE22 GLN A 85 2.342 17.795 -31.933 1.00 50.44 H new ATOM 1429 N LEU A 86 2.014 12.798 -28.508 1.00 54.31 N ATOM 1430 CA LEU A 86 3.226 12.439 -27.781 1.00 1.33 C ATOM 1431 C LEU A 86 3.801 11.123 -28.295 1.00 54.44 C ATOM 1432 O LEU A 86 4.908 10.733 -27.931 1.00 41.51 O ATOM 1433 CB LEU A 86 2.931 12.329 -26.284 1.00 65.55 C ATOM 1434 CG LEU A 86 3.205 13.582 -25.452 1.00 45.30 C ATOM 1435 CD1 LEU A 86 4.667 13.987 -25.562 1.00 31.31 C ATOM 1436 CD2 LEU A 86 2.299 14.722 -25.891 1.00 0.13 C ATOM 0 H LEU A 86 1.147 12.564 -28.024 1.00 54.31 H new ATOM 0 HA LEU A 86 3.964 13.224 -27.944 1.00 1.33 H new ATOM 0 HB2 LEU A 86 1.883 12.057 -26.160 1.00 65.55 H new ATOM 0 HB3 LEU A 86 3.524 11.510 -25.877 1.00 65.55 H new ATOM 0 HG LEU A 86 2.990 13.356 -24.408 1.00 45.30 H new ATOM 0 HD11 LEU A 86 4.843 14.881 -24.963 1.00 31.31 H new ATOM 0 HD12 LEU A 86 5.298 13.176 -25.198 1.00 31.31 H new ATOM 0 HD13 LEU A 86 4.910 14.195 -26.604 1.00 31.31 H new ATOM 0 HD21 LEU A 86 2.508 15.606 -25.288 1.00 0.13 H new ATOM 0 HD22 LEU A 86 2.482 14.948 -26.942 1.00 0.13 H new ATOM 0 HD23 LEU A 86 1.257 14.430 -25.759 1.00 0.13 H new ATOM 1448 N GLY A 87 3.040 10.444 -29.149 1.00 12.21 N ATOM 1449 CA GLY A 87 3.491 9.181 -29.702 1.00 72.10 C ATOM 1450 C GLY A 87 3.543 8.079 -28.664 1.00 24.13 C ATOM 1451 O GLY A 87 4.217 7.066 -28.856 1.00 10.43 O ATOM 0 H GLY A 87 2.119 10.747 -29.467 1.00 12.21 H new ATOM 0 HA2 GLY A 87 2.823 8.883 -30.510 1.00 72.10 H new ATOM 0 HA3 GLY A 87 4.481 9.312 -30.138 1.00 72.10 H new ATOM 1455 N ARG A 88 2.831 8.275 -27.559 1.00 2.32 N ATOM 1456 CA ARG A 88 2.801 7.291 -26.484 1.00 64.20 C ATOM 1457 C ARG A 88 2.125 6.002 -26.944 1.00 35.12 C ATOM 1458 O ARG A 88 1.345 5.989 -27.897 1.00 50.24 O ATOM 1459 CB ARG A 88 2.069 7.856 -25.266 1.00 1.13 C ATOM 1460 CG ARG A 88 2.859 8.918 -24.519 1.00 61.02 C ATOM 1461 CD ARG A 88 2.441 9.001 -23.060 1.00 0.11 C ATOM 1462 NE ARG A 88 2.066 10.359 -22.674 1.00 13.33 N ATOM 1463 CZ ARG A 88 1.742 10.708 -21.434 1.00 51.01 C ATOM 1464 NH1 ARG A 88 1.750 9.804 -20.463 1.00 75.13 N ATOM 1465 NH2 ARG A 88 1.412 11.964 -21.161 1.00 15.14 N ATOM 0 H ARG A 88 2.267 9.107 -27.385 1.00 2.32 H new ATOM 0 HA ARG A 88 3.830 7.062 -26.207 1.00 64.20 H new ATOM 0 HB2 ARG A 88 1.119 8.282 -25.589 1.00 1.13 H new ATOM 0 HB3 ARG A 88 1.836 7.040 -24.582 1.00 1.13 H new ATOM 0 HG2 ARG A 88 3.923 8.692 -24.581 1.00 61.02 H new ATOM 0 HG3 ARG A 88 2.710 9.886 -24.997 1.00 61.02 H new ATOM 0 HD2 ARG A 88 1.601 8.329 -22.885 1.00 0.11 H new ATOM 0 HD3 ARG A 88 3.260 8.658 -22.428 1.00 0.11 H new ATOM 0 HE ARG A 88 2.052 11.079 -23.396 1.00 13.33 H new ATOM 0 HH11 ARG A 88 2.005 8.838 -20.668 1.00 75.13 H new ATOM 0 HH12 ARG A 88 1.501 10.075 -19.512 1.00 75.13 H new ATOM 0 HH21 ARG A 88 1.407 12.663 -21.904 1.00 15.14 H new ATOM 0 HH22 ARG A 88 1.163 12.230 -20.208 1.00 15.14 H new ATOM 1479 N PRO A 89 2.429 4.894 -26.253 1.00 74.34 N ATOM 1480 CA PRO A 89 1.861 3.581 -26.574 1.00 62.02 C ATOM 1481 C PRO A 89 0.375 3.496 -26.245 1.00 41.02 C ATOM 1482 O PRO A 89 -0.247 2.448 -26.410 1.00 73.34 O ATOM 1483 CB PRO A 89 2.661 2.623 -25.687 1.00 34.00 C ATOM 1484 CG PRO A 89 3.123 3.460 -24.545 1.00 54.21 C ATOM 1485 CD PRO A 89 3.350 4.837 -25.106 1.00 42.15 C ATOM 0 HA PRO A 89 1.929 3.356 -27.638 1.00 62.02 H new ATOM 0 HB2 PRO A 89 2.044 1.792 -25.345 1.00 34.00 H new ATOM 0 HB3 PRO A 89 3.503 2.193 -26.228 1.00 34.00 H new ATOM 0 HG2 PRO A 89 2.378 3.481 -23.750 1.00 54.21 H new ATOM 0 HG3 PRO A 89 4.040 3.059 -24.113 1.00 54.21 H new ATOM 0 HD2 PRO A 89 3.127 5.612 -24.372 1.00 42.15 H new ATOM 0 HD3 PRO A 89 4.386 4.979 -25.415 1.00 42.15 H new ATOM 1493 N GLU A 90 -0.188 4.607 -25.779 1.00 22.22 N ATOM 1494 CA GLU A 90 -1.602 4.656 -25.426 1.00 74.25 C ATOM 1495 C GLU A 90 -1.852 3.977 -24.083 1.00 50.21 C ATOM 1496 O GLU A 90 -2.361 4.595 -23.148 1.00 33.31 O ATOM 1497 CB GLU A 90 -2.444 3.986 -26.514 1.00 10.05 C ATOM 1498 CG GLU A 90 -3.849 4.555 -26.631 1.00 74.35 C ATOM 1499 CD GLU A 90 -4.876 3.502 -26.998 1.00 64.53 C ATOM 1500 OE1 GLU A 90 -4.800 2.381 -26.450 1.00 44.13 O ATOM 1501 OE2 GLU A 90 -5.757 3.796 -27.833 1.00 2.54 O ATOM 0 H GLU A 90 0.313 5.484 -25.637 1.00 22.22 H new ATOM 0 HA GLU A 90 -1.894 5.703 -25.343 1.00 74.25 H new ATOM 0 HB2 GLU A 90 -1.936 4.093 -27.473 1.00 10.05 H new ATOM 0 HB3 GLU A 90 -2.509 2.918 -26.306 1.00 10.05 H new ATOM 0 HG2 GLU A 90 -4.130 5.017 -25.684 1.00 74.35 H new ATOM 0 HG3 GLU A 90 -3.856 5.343 -27.384 1.00 74.35 H new ATOM 1508 N SER A 91 -1.490 2.700 -23.995 1.00 15.42 N ATOM 1509 CA SER A 91 -1.679 1.935 -22.768 1.00 55.43 C ATOM 1510 C SER A 91 -1.125 2.692 -21.566 1.00 10.40 C ATOM 1511 O SER A 91 -1.641 2.578 -20.453 1.00 72.01 O ATOM 1512 CB SER A 91 -0.997 0.570 -22.885 1.00 34.23 C ATOM 1513 OG SER A 91 -1.949 -0.459 -23.091 1.00 73.40 O ATOM 0 H SER A 91 -1.065 2.174 -24.759 1.00 15.42 H new ATOM 0 HA SER A 91 -2.749 1.788 -22.620 1.00 55.43 H new ATOM 0 HB2 SER A 91 -0.287 0.584 -23.712 1.00 34.23 H new ATOM 0 HB3 SER A 91 -0.426 0.366 -21.979 1.00 34.23 H new ATOM 0 HG SER A 91 -1.488 -1.321 -23.164 1.00 73.40 H new ATOM 1519 N THR A 92 -0.068 3.466 -21.796 1.00 73.40 N ATOM 1520 CA THR A 92 0.557 4.242 -20.733 1.00 24.10 C ATOM 1521 C THR A 92 -0.326 5.410 -20.311 1.00 71.22 C ATOM 1522 O THR A 92 -0.441 5.717 -19.124 1.00 11.41 O ATOM 1523 CB THR A 92 1.932 4.782 -21.167 1.00 3.14 C ATOM 1524 OG1 THR A 92 2.794 3.697 -21.530 1.00 21.04 O ATOM 1525 CG2 THR A 92 2.572 5.593 -20.049 1.00 64.41 C ATOM 0 H THR A 92 0.373 3.572 -22.710 1.00 73.40 H new ATOM 0 HA THR A 92 0.690 3.568 -19.887 1.00 24.10 H new ATOM 0 HB THR A 92 1.786 5.432 -22.029 1.00 3.14 H new ATOM 0 HG1 THR A 92 3.666 4.050 -21.806 1.00 21.04 H new ATOM 0 HG21 THR A 92 3.542 5.964 -20.378 1.00 64.41 H new ATOM 0 HG22 THR A 92 1.928 6.435 -19.796 1.00 64.41 H new ATOM 0 HG23 THR A 92 2.704 4.961 -19.171 1.00 64.41 H new ATOM 1533 N ILE A 93 -0.949 6.058 -21.290 1.00 73.40 N ATOM 1534 CA ILE A 93 -1.824 7.192 -21.020 1.00 24.45 C ATOM 1535 C ILE A 93 -2.854 6.848 -19.949 1.00 23.52 C ATOM 1536 O ILE A 93 -3.028 7.587 -18.979 1.00 52.11 O ATOM 1537 CB ILE A 93 -2.558 7.653 -22.292 1.00 51.42 C ATOM 1538 CG1 ILE A 93 -1.549 8.098 -23.355 1.00 24.54 C ATOM 1539 CG2 ILE A 93 -3.523 8.782 -21.967 1.00 0.35 C ATOM 1540 CD1 ILE A 93 -0.796 9.356 -22.985 1.00 33.22 C ATOM 0 H ILE A 93 -0.864 5.817 -22.277 1.00 73.40 H new ATOM 0 HA ILE A 93 -1.189 8.003 -20.664 1.00 24.45 H new ATOM 0 HB ILE A 93 -3.131 6.814 -22.688 1.00 51.42 H new ATOM 0 HG12 ILE A 93 -0.834 7.293 -23.525 1.00 24.54 H new ATOM 0 HG13 ILE A 93 -2.074 8.262 -24.296 1.00 24.54 H new ATOM 0 HG21 ILE A 93 -4.034 9.097 -22.877 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.257 8.435 -21.240 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -2.970 9.625 -21.551 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -0.100 9.611 -23.784 1.00 33.22 H new ATOM 0 HD12 ILE A 93 -1.502 10.174 -22.844 1.00 33.22 H new ATOM 0 HD13 ILE A 93 -0.243 9.190 -22.061 1.00 33.22 H new ATOM 1552 N TYR A 94 -3.534 5.722 -20.130 1.00 63.45 N ATOM 1553 CA TYR A 94 -4.548 5.279 -19.180 1.00 23.00 C ATOM 1554 C TYR A 94 -3.980 5.219 -17.765 1.00 74.15 C ATOM 1555 O TYR A 94 -4.627 5.639 -16.806 1.00 53.11 O ATOM 1556 CB TYR A 94 -5.089 3.906 -19.583 1.00 40.22 C ATOM 1557 CG TYR A 94 -6.394 3.969 -20.344 1.00 72.04 C ATOM 1558 CD1 TYR A 94 -7.536 4.503 -19.761 1.00 54.25 C ATOM 1559 CD2 TYR A 94 -6.484 3.494 -21.647 1.00 21.14 C ATOM 1560 CE1 TYR A 94 -8.730 4.563 -20.453 1.00 60.21 C ATOM 1561 CE2 TYR A 94 -7.673 3.550 -22.347 1.00 35.13 C ATOM 1562 CZ TYR A 94 -8.794 4.085 -21.745 1.00 54.15 C ATOM 1563 OH TYR A 94 -9.981 4.142 -22.439 1.00 41.24 O ATOM 0 H TYR A 94 -3.402 5.099 -20.926 1.00 63.45 H new ATOM 0 HA TYR A 94 -5.363 6.002 -19.194 1.00 23.00 H new ATOM 0 HB2 TYR A 94 -4.345 3.397 -20.196 1.00 40.22 H new ATOM 0 HB3 TYR A 94 -5.230 3.303 -18.686 1.00 40.22 H new ATOM 0 HD1 TYR A 94 -7.490 4.878 -18.749 1.00 54.25 H new ATOM 0 HD2 TYR A 94 -5.609 3.074 -22.120 1.00 21.14 H new ATOM 0 HE1 TYR A 94 -9.608 4.982 -19.985 1.00 60.21 H new ATOM 0 HE2 TYR A 94 -7.725 3.177 -23.359 1.00 35.13 H new ATOM 0 HH TYR A 94 -9.855 3.765 -23.335 1.00 41.24 H new