USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 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 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Set 2.1: A 28 SER OG : rot -30:sc= 0.553 USER MOD Set 2.2: A 30 ASN : amide:sc= -3.55! C(o=-3!,f=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -29:sc= 1.21 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) 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= 0.0533 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 65:sc= 1.31 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 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 91 SER OG : rot 180:sc= 0.104 USER MOD Single : A 92 THR OG1 : rot -150:sc= -0.878 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.568 3.823 -3.740 1.00 1.55 N ATOM 178 CA LYS A 13 -1.041 4.288 -5.038 1.00 13.32 C ATOM 179 C LYS A 13 -1.307 3.113 -5.974 1.00 4.41 C ATOM 180 O LYS A 13 -2.185 3.177 -6.834 1.00 34.50 O ATOM 181 CB LYS A 13 -0.017 5.235 -5.669 1.00 5.43 C ATOM 182 CG LYS A 13 -0.494 6.674 -5.759 1.00 74.55 C ATOM 183 CD LYS A 13 0.670 7.651 -5.710 1.00 60.41 C ATOM 184 CE LYS A 13 0.788 8.441 -7.005 1.00 42.30 C ATOM 185 NZ LYS A 13 2.089 9.162 -7.096 1.00 33.25 N ATOM 0 HA LYS A 13 -1.977 4.826 -4.884 1.00 13.32 H new ATOM 0 HB2 LYS A 13 0.903 5.202 -5.086 1.00 5.43 H new ATOM 0 HB3 LYS A 13 0.227 4.879 -6.670 1.00 5.43 H new ATOM 0 HG2 LYS A 13 -1.051 6.816 -6.685 1.00 74.55 H new ATOM 0 HG3 LYS A 13 -1.180 6.883 -4.939 1.00 74.55 H new ATOM 0 HD2 LYS A 13 0.535 8.338 -4.874 1.00 60.41 H new ATOM 0 HD3 LYS A 13 1.597 7.106 -5.529 1.00 60.41 H new ATOM 0 HE2 LYS A 13 0.687 7.765 -7.854 1.00 42.30 H new ATOM 0 HE3 LYS A 13 -0.030 9.158 -7.069 1.00 42.30 H new ATOM 0 HZ1 LYS A 13 2.132 9.689 -7.992 1.00 33.25 H new ATOM 0 HZ2 LYS A 13 2.175 9.826 -6.300 1.00 33.25 H new ATOM 0 HZ3 LYS A 13 2.870 8.476 -7.060 1.00 33.25 H new ATOM 199 N LEU A 14 -0.543 2.040 -5.798 1.00 53.12 N ATOM 200 CA LEU A 14 -0.697 0.848 -6.625 1.00 13.12 C ATOM 201 C LEU A 14 -2.035 0.167 -6.357 1.00 43.33 C ATOM 202 O LEU A 14 -2.753 -0.201 -7.285 1.00 72.42 O ATOM 203 CB LEU A 14 0.449 -0.131 -6.363 1.00 12.42 C ATOM 204 CG LEU A 14 1.755 0.148 -7.108 1.00 35.11 C ATOM 205 CD1 LEU A 14 1.522 0.144 -8.611 1.00 35.40 C ATOM 206 CD2 LEU A 14 2.351 1.475 -6.663 1.00 32.52 C ATOM 0 H LEU A 14 0.189 1.971 -5.091 1.00 53.12 H new ATOM 0 HA LEU A 14 -0.671 1.156 -7.670 1.00 13.12 H new ATOM 0 HB2 LEU A 14 0.658 -0.136 -5.293 1.00 12.42 H new ATOM 0 HB3 LEU A 14 0.111 -1.133 -6.626 1.00 12.42 H new ATOM 0 HG LEU A 14 2.464 -0.644 -6.868 1.00 35.11 H new ATOM 0 HD11 LEU A 14 2.462 0.344 -9.125 1.00 35.40 H new ATOM 0 HD12 LEU A 14 1.141 -0.830 -8.918 1.00 35.40 H new ATOM 0 HD13 LEU A 14 0.796 0.915 -8.869 1.00 35.40 H new ATOM 0 HD21 LEU A 14 3.280 1.656 -7.204 1.00 32.52 H new ATOM 0 HD22 LEU A 14 1.646 2.279 -6.873 1.00 32.52 H new ATOM 0 HD23 LEU A 14 2.555 1.442 -5.593 1.00 32.52 H new ATOM 218 N TYR A 15 -2.364 0.004 -5.080 1.00 1.40 N ATOM 219 CA TYR A 15 -3.615 -0.633 -4.688 1.00 14.54 C ATOM 220 C TYR A 15 -4.813 0.169 -5.188 1.00 31.22 C ATOM 221 O TYR A 15 -5.677 -0.356 -5.891 1.00 22.34 O ATOM 222 CB TYR A 15 -3.683 -0.778 -3.167 1.00 33.34 C ATOM 223 CG TYR A 15 -5.004 -1.320 -2.669 1.00 34.43 C ATOM 224 CD1 TYR A 15 -6.082 -0.474 -2.440 1.00 30.14 C ATOM 225 CD2 TYR A 15 -5.174 -2.678 -2.428 1.00 3.41 C ATOM 226 CE1 TYR A 15 -7.291 -0.964 -1.984 1.00 0.11 C ATOM 227 CE2 TYR A 15 -6.380 -3.177 -1.973 1.00 54.12 C ATOM 228 CZ TYR A 15 -7.435 -2.316 -1.753 1.00 71.24 C ATOM 229 OH TYR A 15 -8.636 -2.809 -1.299 1.00 21.41 O ATOM 0 H TYR A 15 -1.781 0.305 -4.299 1.00 1.40 H new ATOM 0 HA TYR A 15 -3.648 -1.623 -5.142 1.00 14.54 H new ATOM 0 HB2 TYR A 15 -2.881 -1.439 -2.837 1.00 33.34 H new ATOM 0 HB3 TYR A 15 -3.503 0.195 -2.709 1.00 33.34 H new ATOM 0 HD1 TYR A 15 -5.973 0.585 -2.622 1.00 30.14 H new ATOM 0 HD2 TYR A 15 -4.350 -3.355 -2.599 1.00 3.41 H new ATOM 0 HE1 TYR A 15 -8.118 -0.292 -1.810 1.00 0.11 H new ATOM 0 HE2 TYR A 15 -6.496 -4.235 -1.791 1.00 54.12 H new ATOM 0 HH TYR A 15 -9.093 -2.122 -0.770 1.00 21.41 H new ATOM 239 N LYS A 16 -4.859 1.445 -4.819 1.00 34.51 N ATOM 240 CA LYS A 16 -5.950 2.321 -5.231 1.00 4.40 C ATOM 241 C LYS A 16 -6.016 2.432 -6.750 1.00 53.25 C ATOM 242 O LYS A 16 -7.040 2.824 -7.310 1.00 53.24 O ATOM 243 CB LYS A 16 -5.773 3.711 -4.614 1.00 54.40 C ATOM 244 CG LYS A 16 -4.756 4.574 -5.341 1.00 14.04 C ATOM 245 CD LYS A 16 -5.430 5.668 -6.151 1.00 55.11 C ATOM 246 CE LYS A 16 -4.589 6.935 -6.184 1.00 12.43 C ATOM 247 NZ LYS A 16 -5.423 8.149 -6.408 1.00 74.40 N ATOM 0 H LYS A 16 -4.154 1.895 -4.236 1.00 34.51 H new ATOM 0 HA LYS A 16 -6.885 1.888 -4.876 1.00 4.40 H new ATOM 0 HB2 LYS A 16 -6.735 4.223 -4.611 1.00 54.40 H new ATOM 0 HB3 LYS A 16 -5.467 3.601 -3.574 1.00 54.40 H new ATOM 0 HG2 LYS A 16 -4.075 5.023 -4.618 1.00 14.04 H new ATOM 0 HG3 LYS A 16 -4.154 3.950 -6.001 1.00 14.04 H new ATOM 0 HD2 LYS A 16 -5.600 5.316 -7.169 1.00 55.11 H new ATOM 0 HD3 LYS A 16 -6.407 5.890 -5.723 1.00 55.11 H new ATOM 0 HE2 LYS A 16 -4.047 7.035 -5.244 1.00 12.43 H new ATOM 0 HE3 LYS A 16 -3.843 6.856 -6.975 1.00 12.43 H new ATOM 0 HZ1 LYS A 16 -4.813 8.991 -6.424 1.00 74.40 H new ATOM 0 HZ2 LYS A 16 -5.921 8.065 -7.317 1.00 74.40 H new ATOM 0 HZ3 LYS A 16 -6.118 8.239 -5.640 1.00 74.40 H new ATOM 261 N ASP A 17 -4.918 2.082 -7.412 1.00 74.35 N ATOM 262 CA ASP A 17 -4.852 2.140 -8.868 1.00 72.01 C ATOM 263 C ASP A 17 -5.397 0.856 -9.488 1.00 11.42 C ATOM 264 O ASP A 17 -5.861 0.854 -10.627 1.00 61.54 O ATOM 265 CB ASP A 17 -3.411 2.371 -9.327 1.00 22.11 C ATOM 266 CG ASP A 17 -3.253 2.236 -10.828 1.00 72.11 C ATOM 267 OD1 ASP A 17 -4.167 2.664 -11.562 1.00 55.00 O ATOM 268 OD2 ASP A 17 -2.214 1.699 -11.270 1.00 4.34 O ATOM 0 H ASP A 17 -4.062 1.755 -6.964 1.00 74.35 H new ATOM 0 HA ASP A 17 -5.469 2.974 -9.202 1.00 72.01 H new ATOM 0 HB2 ASP A 17 -3.090 3.366 -9.019 1.00 22.11 H new ATOM 0 HB3 ASP A 17 -2.755 1.656 -8.830 1.00 22.11 H new ATOM 273 N GLY A 18 -5.335 -0.234 -8.729 1.00 13.33 N ATOM 274 CA GLY A 18 -5.824 -1.509 -9.221 1.00 54.40 C ATOM 275 C GLY A 18 -4.742 -2.570 -9.256 1.00 25.12 C ATOM 276 O GLY A 18 -4.611 -3.302 -10.237 1.00 53.30 O ATOM 0 H GLY A 18 -4.955 -0.257 -7.783 1.00 13.33 H new ATOM 0 HA2 GLY A 18 -6.643 -1.850 -8.587 1.00 54.40 H new ATOM 0 HA3 GLY A 18 -6.231 -1.376 -10.223 1.00 54.40 H new ATOM 280 N VAL A 19 -3.963 -2.654 -8.181 1.00 73.43 N ATOM 281 CA VAL A 19 -2.887 -3.633 -8.093 1.00 45.02 C ATOM 282 C VAL A 19 -3.098 -4.577 -6.914 1.00 13.54 C ATOM 283 O VAL A 19 -3.398 -4.156 -5.796 1.00 52.33 O ATOM 284 CB VAL A 19 -1.515 -2.948 -7.949 1.00 52.13 C ATOM 285 CG1 VAL A 19 -0.401 -3.983 -7.920 1.00 42.13 C ATOM 286 CG2 VAL A 19 -1.297 -1.951 -9.078 1.00 1.24 C ATOM 0 H VAL A 19 -4.058 -2.056 -7.360 1.00 73.43 H new ATOM 0 HA VAL A 19 -2.903 -4.205 -9.021 1.00 45.02 H new ATOM 0 HB VAL A 19 -1.498 -2.404 -7.005 1.00 52.13 H new ATOM 0 HG11 VAL A 19 0.561 -3.480 -7.818 1.00 42.13 H new ATOM 0 HG12 VAL A 19 -0.551 -4.655 -7.075 1.00 42.13 H new ATOM 0 HG13 VAL A 19 -0.413 -4.557 -8.847 1.00 42.13 H new ATOM 0 HG21 VAL A 19 -0.323 -1.476 -8.961 1.00 1.24 H new ATOM 0 HG22 VAL A 19 -1.334 -2.471 -10.035 1.00 1.24 H new ATOM 0 HG23 VAL A 19 -2.077 -1.191 -9.048 1.00 1.24 H new ATOM 296 N PRO A 20 -2.936 -5.884 -7.166 1.00 22.34 N ATOM 297 CA PRO A 20 -3.103 -6.915 -6.137 1.00 31.41 C ATOM 298 C PRO A 20 -1.992 -6.879 -5.095 1.00 41.55 C ATOM 299 O PRO A 20 -0.877 -6.438 -5.376 1.00 14.21 O ATOM 300 CB PRO A 20 -3.049 -8.222 -6.932 1.00 75.11 C ATOM 301 CG PRO A 20 -2.260 -7.890 -8.152 1.00 21.32 C ATOM 302 CD PRO A 20 -2.580 -6.457 -8.475 1.00 42.35 C ATOM 0 HA PRO A 20 -4.026 -6.782 -5.573 1.00 31.41 H new ATOM 0 HB2 PRO A 20 -2.573 -9.016 -6.357 1.00 75.11 H new ATOM 0 HB3 PRO A 20 -4.049 -8.570 -7.190 1.00 75.11 H new ATOM 0 HG2 PRO A 20 -1.193 -8.021 -7.974 1.00 21.32 H new ATOM 0 HG3 PRO A 20 -2.528 -8.546 -8.980 1.00 21.32 H new ATOM 0 HD2 PRO A 20 -1.726 -5.945 -8.919 1.00 42.35 H new ATOM 0 HD3 PRO A 20 -3.403 -6.379 -9.185 1.00 42.35 H new ATOM 310 N VAL A 21 -2.301 -7.345 -3.889 1.00 72.44 N ATOM 311 CA VAL A 21 -1.327 -7.369 -2.804 1.00 15.51 C ATOM 312 C VAL A 21 -0.060 -8.108 -3.219 1.00 53.31 C ATOM 313 O VAL A 21 1.051 -7.689 -2.895 1.00 13.43 O ATOM 314 CB VAL A 21 -1.908 -8.035 -1.542 1.00 75.14 C ATOM 315 CG1 VAL A 21 -2.984 -7.157 -0.923 1.00 23.23 C ATOM 316 CG2 VAL A 21 -2.457 -9.414 -1.874 1.00 33.01 C ATOM 0 H VAL A 21 -3.219 -7.711 -3.639 1.00 72.44 H new ATOM 0 HA VAL A 21 -1.081 -6.332 -2.577 1.00 15.51 H new ATOM 0 HB VAL A 21 -1.107 -8.154 -0.812 1.00 75.14 H new ATOM 0 HG11 VAL A 21 -3.383 -7.643 -0.033 1.00 23.23 H new ATOM 0 HG12 VAL A 21 -2.554 -6.194 -0.648 1.00 23.23 H new ATOM 0 HG13 VAL A 21 -3.787 -7.004 -1.643 1.00 23.23 H new ATOM 0 HG21 VAL A 21 -2.864 -9.871 -0.972 1.00 33.01 H new ATOM 0 HG22 VAL A 21 -3.246 -9.322 -2.621 1.00 33.01 H new ATOM 0 HG23 VAL A 21 -1.656 -10.039 -2.268 1.00 33.01 H new ATOM 326 N LYS A 22 -0.234 -9.211 -3.939 1.00 12.20 N ATOM 327 CA LYS A 22 0.895 -10.010 -4.400 1.00 55.14 C ATOM 328 C LYS A 22 1.890 -9.150 -5.172 1.00 52.34 C ATOM 329 O LYS A 22 3.102 -9.301 -5.020 1.00 51.52 O ATOM 330 CB LYS A 22 0.406 -11.159 -5.285 1.00 12.15 C ATOM 331 CG LYS A 22 -0.635 -10.738 -6.309 1.00 44.34 C ATOM 332 CD LYS A 22 -0.230 -11.149 -7.715 1.00 61.21 C ATOM 333 CE LYS A 22 -0.130 -12.661 -7.846 1.00 62.21 C ATOM 334 NZ LYS A 22 -0.370 -13.114 -9.245 1.00 51.32 N ATOM 0 H LYS A 22 -1.147 -9.572 -4.216 1.00 12.20 H new ATOM 0 HA LYS A 22 1.398 -10.422 -3.525 1.00 55.14 H new ATOM 0 HB2 LYS A 22 1.259 -11.595 -5.805 1.00 12.15 H new ATOM 0 HB3 LYS A 22 -0.014 -11.940 -4.652 1.00 12.15 H new ATOM 0 HG2 LYS A 22 -1.596 -11.189 -6.059 1.00 44.34 H new ATOM 0 HG3 LYS A 22 -0.770 -9.657 -6.269 1.00 44.34 H new ATOM 0 HD2 LYS A 22 -0.958 -10.768 -8.431 1.00 61.21 H new ATOM 0 HD3 LYS A 22 0.730 -10.697 -7.965 1.00 61.21 H new ATOM 0 HE2 LYS A 22 0.858 -12.989 -7.523 1.00 62.21 H new ATOM 0 HE3 LYS A 22 -0.855 -13.132 -7.182 1.00 62.21 H new ATOM 0 HZ1 LYS A 22 -0.293 -14.150 -9.292 1.00 51.32 H new ATOM 0 HZ2 LYS A 22 -1.322 -12.823 -9.545 1.00 51.32 H new ATOM 0 HZ3 LYS A 22 0.338 -12.685 -9.875 1.00 51.32 H new ATOM 348 N GLU A 23 1.370 -8.247 -5.998 1.00 50.14 N ATOM 349 CA GLU A 23 2.215 -7.363 -6.792 1.00 53.41 C ATOM 350 C GLU A 23 2.754 -6.216 -5.941 1.00 71.53 C ATOM 351 O GLU A 23 3.952 -5.930 -5.954 1.00 12.04 O ATOM 352 CB GLU A 23 1.432 -6.804 -7.982 1.00 72.45 C ATOM 353 CG GLU A 23 2.166 -5.708 -8.734 1.00 11.22 C ATOM 354 CD GLU A 23 3.479 -6.184 -9.324 1.00 54.13 C ATOM 355 OE1 GLU A 23 4.478 -6.249 -8.577 1.00 23.32 O ATOM 356 OE2 GLU A 23 3.509 -6.489 -10.535 1.00 23.22 O ATOM 0 H GLU A 23 0.369 -8.109 -6.134 1.00 50.14 H new ATOM 0 HA GLU A 23 3.058 -7.946 -7.163 1.00 53.41 H new ATOM 0 HB2 GLU A 23 1.206 -7.617 -8.672 1.00 72.45 H new ATOM 0 HB3 GLU A 23 0.478 -6.413 -7.627 1.00 72.45 H new ATOM 0 HG2 GLU A 23 1.528 -5.331 -9.534 1.00 11.22 H new ATOM 0 HG3 GLU A 23 2.357 -4.874 -8.059 1.00 11.22 H new ATOM 363 N ILE A 24 1.861 -5.564 -5.204 1.00 32.11 N ATOM 364 CA ILE A 24 2.246 -4.450 -4.348 1.00 4.34 C ATOM 365 C ILE A 24 3.336 -4.863 -3.364 1.00 54.10 C ATOM 366 O ILE A 24 4.186 -4.056 -2.989 1.00 63.43 O ATOM 367 CB ILE A 24 1.041 -3.902 -3.561 1.00 62.23 C ATOM 368 CG1 ILE A 24 -0.079 -3.492 -4.520 1.00 43.33 C ATOM 369 CG2 ILE A 24 1.464 -2.723 -2.697 1.00 5.40 C ATOM 370 CD1 ILE A 24 -1.422 -3.323 -3.844 1.00 64.03 C ATOM 0 H ILE A 24 0.866 -5.788 -5.183 1.00 32.11 H new ATOM 0 HA ILE A 24 2.629 -3.667 -5.003 1.00 4.34 H new ATOM 0 HB ILE A 24 0.664 -4.689 -2.908 1.00 62.23 H new ATOM 0 HG12 ILE A 24 0.194 -2.555 -5.006 1.00 43.33 H new ATOM 0 HG13 ILE A 24 -0.168 -4.244 -5.304 1.00 43.33 H new ATOM 0 HG21 ILE A 24 0.601 -2.347 -2.147 1.00 5.40 H new ATOM 0 HG22 ILE A 24 2.231 -3.045 -1.993 1.00 5.40 H new ATOM 0 HG23 ILE A 24 1.863 -1.932 -3.331 1.00 5.40 H new ATOM 0 HD11 ILE A 24 -2.168 -3.032 -4.584 1.00 64.03 H new ATOM 0 HD12 ILE A 24 -1.718 -4.265 -3.382 1.00 64.03 H new ATOM 0 HD13 ILE A 24 -1.349 -2.550 -3.079 1.00 64.03 H new ATOM 382 N ALA A 25 3.305 -6.126 -2.952 1.00 71.21 N ATOM 383 CA ALA A 25 4.292 -6.649 -2.015 1.00 13.00 C ATOM 384 C ALA A 25 5.705 -6.498 -2.567 1.00 12.20 C ATOM 385 O ALA A 25 6.633 -6.147 -1.838 1.00 12.21 O ATOM 386 CB ALA A 25 3.999 -8.107 -1.699 1.00 24.43 C ATOM 0 H ALA A 25 2.607 -6.806 -3.252 1.00 71.21 H new ATOM 0 HA ALA A 25 4.226 -6.070 -1.094 1.00 13.00 H new ATOM 0 HB1 ALA A 25 4.744 -8.484 -0.998 1.00 24.43 H new ATOM 0 HB2 ALA A 25 3.007 -8.191 -1.254 1.00 24.43 H new ATOM 0 HB3 ALA A 25 4.035 -8.693 -2.617 1.00 24.43 H new ATOM 392 N LYS A 26 5.863 -6.767 -3.858 1.00 42.25 N ATOM 393 CA LYS A 26 7.164 -6.662 -4.509 1.00 11.22 C ATOM 394 C LYS A 26 7.590 -5.202 -4.640 1.00 61.44 C ATOM 395 O LYS A 26 8.688 -4.828 -4.229 1.00 1.24 O ATOM 396 CB LYS A 26 7.120 -7.317 -5.891 1.00 42.11 C ATOM 397 CG LYS A 26 6.758 -8.792 -5.854 1.00 51.43 C ATOM 398 CD LYS A 26 7.704 -9.575 -4.958 1.00 0.03 C ATOM 399 CE LYS A 26 9.138 -9.499 -5.458 1.00 74.14 C ATOM 400 NZ LYS A 26 10.033 -10.435 -4.723 1.00 61.12 N ATOM 0 H LYS A 26 5.106 -7.060 -4.475 1.00 42.25 H new ATOM 0 HA LYS A 26 7.895 -7.182 -3.890 1.00 11.22 H new ATOM 0 HB2 LYS A 26 6.395 -6.789 -6.511 1.00 42.11 H new ATOM 0 HB3 LYS A 26 8.093 -7.202 -6.369 1.00 42.11 H new ATOM 0 HG2 LYS A 26 5.735 -8.908 -5.495 1.00 51.43 H new ATOM 0 HG3 LYS A 26 6.789 -9.201 -6.864 1.00 51.43 H new ATOM 0 HD2 LYS A 26 7.651 -9.184 -3.942 1.00 0.03 H new ATOM 0 HD3 LYS A 26 7.387 -10.617 -4.916 1.00 0.03 H new ATOM 0 HE2 LYS A 26 9.164 -9.732 -6.522 1.00 74.14 H new ATOM 0 HE3 LYS A 26 9.508 -8.480 -5.346 1.00 74.14 H new ATOM 0 HZ1 LYS A 26 11.001 -10.353 -5.094 1.00 61.12 H new ATOM 0 HZ2 LYS A 26 10.028 -10.197 -3.711 1.00 61.12 H new ATOM 0 HZ3 LYS A 26 9.695 -11.410 -4.851 1.00 61.12 H new ATOM 414 N ARG A 27 6.714 -4.384 -5.213 1.00 70.55 N ATOM 415 CA ARG A 27 7.000 -2.967 -5.397 1.00 15.04 C ATOM 416 C ARG A 27 7.239 -2.282 -4.055 1.00 11.41 C ATOM 417 O ARG A 27 7.960 -1.287 -3.975 1.00 10.11 O ATOM 418 CB ARG A 27 5.846 -2.283 -6.133 1.00 30.25 C ATOM 419 CG ARG A 27 6.131 -2.019 -7.602 1.00 21.23 C ATOM 420 CD ARG A 27 5.771 -3.219 -8.464 1.00 22.02 C ATOM 421 NE ARG A 27 6.951 -3.988 -8.853 1.00 13.41 N ATOM 422 CZ ARG A 27 6.978 -4.818 -9.889 1.00 52.50 C ATOM 423 NH1 ARG A 27 5.897 -4.986 -10.637 1.00 4.22 N ATOM 424 NH2 ARG A 27 8.091 -5.481 -10.180 1.00 35.14 N ATOM 0 H ARG A 27 5.800 -4.678 -5.558 1.00 70.55 H new ATOM 0 HA ARG A 27 7.906 -2.880 -5.996 1.00 15.04 H new ATOM 0 HB2 ARG A 27 4.955 -2.905 -6.051 1.00 30.25 H new ATOM 0 HB3 ARG A 27 5.622 -1.337 -5.640 1.00 30.25 H new ATOM 0 HG2 ARG A 27 5.564 -1.149 -7.933 1.00 21.23 H new ATOM 0 HG3 ARG A 27 7.187 -1.780 -7.732 1.00 21.23 H new ATOM 0 HD2 ARG A 27 5.082 -3.864 -7.918 1.00 22.02 H new ATOM 0 HD3 ARG A 27 5.249 -2.879 -9.358 1.00 22.02 H new ATOM 0 HE ARG A 27 7.800 -3.881 -8.298 1.00 13.41 H new ATOM 0 HH11 ARG A 27 5.041 -4.477 -10.418 1.00 4.22 H new ATOM 0 HH12 ARG A 27 5.921 -5.624 -11.432 1.00 4.22 H new ATOM 0 HH21 ARG A 27 8.925 -5.353 -9.608 1.00 35.14 H new ATOM 0 HH22 ARG A 27 8.112 -6.119 -10.976 1.00 35.14 H new ATOM 438 N SER A 28 6.629 -2.821 -3.005 1.00 41.43 N ATOM 439 CA SER A 28 6.772 -2.259 -1.666 1.00 73.33 C ATOM 440 C SER A 28 7.836 -3.011 -0.872 1.00 12.10 C ATOM 441 O SER A 28 8.158 -2.644 0.257 1.00 50.51 O ATOM 442 CB SER A 28 5.435 -2.309 -0.924 1.00 10.41 C ATOM 443 OG SER A 28 5.549 -1.741 0.369 1.00 2.10 O ATOM 0 H SER A 28 6.031 -3.646 -3.055 1.00 41.43 H new ATOM 0 HA SER A 28 7.085 -1.220 -1.766 1.00 73.33 H new ATOM 0 HB2 SER A 28 4.678 -1.772 -1.495 1.00 10.41 H new ATOM 0 HB3 SER A 28 5.099 -3.343 -0.842 1.00 10.41 H new ATOM 0 HG SER A 28 6.458 -1.880 0.708 1.00 2.10 H new ATOM 449 N ASN A 29 8.379 -4.065 -1.473 1.00 12.42 N ATOM 450 CA ASN A 29 9.406 -4.870 -0.822 1.00 52.12 C ATOM 451 C ASN A 29 8.916 -5.395 0.523 1.00 75.20 C ATOM 452 O ASN A 29 9.711 -5.672 1.420 1.00 2.11 O ATOM 453 CB ASN A 29 10.681 -4.046 -0.627 1.00 2.41 C ATOM 454 CG ASN A 29 11.933 -4.824 -0.981 1.00 70.02 C ATOM 455 OD1 ASN A 29 12.217 -5.064 -2.155 1.00 50.31 O ATOM 456 ND2 ASN A 29 12.689 -5.224 0.035 1.00 31.24 N ATOM 0 H ASN A 29 8.125 -4.381 -2.409 1.00 12.42 H new ATOM 0 HA ASN A 29 9.626 -5.722 -1.465 1.00 52.12 H new ATOM 0 HB2 ASN A 29 10.628 -3.149 -1.243 1.00 2.41 H new ATOM 0 HB3 ASN A 29 10.742 -3.717 0.410 1.00 2.41 H new ATOM 0 HD21 ASN A 29 13.543 -5.752 -0.142 1.00 31.24 H new ATOM 0 HD22 ASN A 29 12.415 -5.003 0.992 1.00 31.24 H new ATOM 463 N ASN A 30 7.600 -5.530 0.655 1.00 62.51 N ATOM 464 CA ASN A 30 7.003 -6.022 1.891 1.00 71.45 C ATOM 465 C ASN A 30 6.264 -7.336 1.652 1.00 30.25 C ATOM 466 O ASN A 30 6.228 -7.846 0.532 1.00 44.22 O ATOM 467 CB ASN A 30 6.042 -4.981 2.468 1.00 53.22 C ATOM 468 CG ASN A 30 6.691 -4.128 3.542 1.00 71.33 C ATOM 469 OD1 ASN A 30 7.430 -4.633 4.387 1.00 52.54 O ATOM 470 ND2 ASN A 30 6.414 -2.830 3.512 1.00 44.34 N ATOM 0 H ASN A 30 6.928 -5.306 -0.078 1.00 62.51 H new ATOM 0 HA ASN A 30 7.805 -6.201 2.607 1.00 71.45 H new ATOM 0 HB2 ASN A 30 5.682 -4.338 1.665 1.00 53.22 H new ATOM 0 HB3 ASN A 30 5.171 -5.486 2.886 1.00 53.22 H new ATOM 0 HD21 ASN A 30 6.820 -2.206 4.209 1.00 44.34 H new ATOM 0 HD22 ASN A 30 5.795 -2.457 2.792 1.00 44.34 H new ATOM 477 N SER A 31 5.672 -7.877 2.712 1.00 63.03 N ATOM 478 CA SER A 31 4.936 -9.132 2.619 1.00 22.11 C ATOM 479 C SER A 31 3.447 -8.874 2.403 1.00 4.51 C ATOM 480 O SER A 31 3.004 -7.726 2.371 1.00 60.45 O ATOM 481 CB SER A 31 5.141 -9.964 3.887 1.00 54.43 C ATOM 482 OG SER A 31 5.483 -11.302 3.569 1.00 12.33 O ATOM 0 H SER A 31 5.688 -7.466 3.645 1.00 63.03 H new ATOM 0 HA SER A 31 5.320 -9.686 1.763 1.00 22.11 H new ATOM 0 HB2 SER A 31 5.929 -9.519 4.495 1.00 54.43 H new ATOM 0 HB3 SER A 31 4.230 -9.951 4.486 1.00 54.43 H new ATOM 0 HG SER A 31 5.610 -11.812 4.396 1.00 12.33 H new ATOM 488 N MET A 32 2.682 -9.950 2.257 1.00 74.44 N ATOM 489 CA MET A 32 1.243 -9.841 2.044 1.00 54.15 C ATOM 490 C MET A 32 0.550 -9.294 3.288 1.00 60.44 C ATOM 491 O MET A 32 -0.373 -8.486 3.191 1.00 44.23 O ATOM 492 CB MET A 32 0.656 -11.205 1.675 1.00 10.13 C ATOM 493 CG MET A 32 -0.301 -11.156 0.495 1.00 52.15 C ATOM 494 SD MET A 32 -1.749 -12.203 0.730 1.00 11.21 S ATOM 495 CE MET A 32 -1.186 -13.732 -0.013 1.00 21.11 C ATOM 0 H MET A 32 3.034 -10.907 2.282 1.00 74.44 H new ATOM 0 HA MET A 32 1.073 -9.147 1.221 1.00 54.15 H new ATOM 0 HB2 MET A 32 1.471 -11.891 1.443 1.00 10.13 H new ATOM 0 HB3 MET A 32 0.133 -11.612 2.540 1.00 10.13 H new ATOM 0 HG2 MET A 32 -0.624 -10.127 0.337 1.00 52.15 H new ATOM 0 HG3 MET A 32 0.225 -11.468 -0.407 1.00 52.15 H new ATOM 0 HE1 MET A 32 -1.975 -14.481 0.055 1.00 21.11 H new ATOM 0 HE2 MET A 32 -0.939 -13.558 -1.060 1.00 21.11 H new ATOM 0 HE3 MET A 32 -0.301 -14.088 0.514 1.00 21.11 H new ATOM 505 N SER A 33 1.001 -9.743 4.456 1.00 34.14 N ATOM 506 CA SER A 33 0.421 -9.301 5.719 1.00 12.21 C ATOM 507 C SER A 33 0.871 -7.883 6.058 1.00 73.43 C ATOM 508 O SER A 33 0.227 -7.185 6.841 1.00 51.44 O ATOM 509 CB SER A 33 0.815 -10.257 6.847 1.00 61.22 C ATOM 510 OG SER A 33 2.122 -10.767 6.649 1.00 22.53 O ATOM 0 H SER A 33 1.765 -10.412 4.553 1.00 34.14 H new ATOM 0 HA SER A 33 -0.664 -9.303 5.612 1.00 12.21 H new ATOM 0 HB2 SER A 33 0.765 -9.736 7.803 1.00 61.22 H new ATOM 0 HB3 SER A 33 0.103 -11.081 6.895 1.00 61.22 H new ATOM 0 HG SER A 33 2.351 -11.374 7.384 1.00 22.53 H new ATOM 516 N THR A 34 1.983 -7.464 5.462 1.00 62.40 N ATOM 517 CA THR A 34 2.522 -6.131 5.700 1.00 2.10 C ATOM 518 C THR A 34 1.852 -5.098 4.800 1.00 43.23 C ATOM 519 O THR A 34 1.387 -4.060 5.270 1.00 21.10 O ATOM 520 CB THR A 34 4.044 -6.090 5.465 1.00 22.41 C ATOM 521 OG1 THR A 34 4.694 -7.054 6.300 1.00 63.14 O ATOM 522 CG2 THR A 34 4.599 -4.704 5.755 1.00 73.03 C ATOM 0 H THR A 34 2.528 -8.029 4.811 1.00 62.40 H new ATOM 0 HA THR A 34 2.316 -5.889 6.743 1.00 2.10 H new ATOM 0 HB THR A 34 4.235 -6.329 4.419 1.00 22.41 H new ATOM 0 HG1 THR A 34 5.661 -7.023 6.144 1.00 63.14 H new ATOM 0 HG21 THR A 34 5.675 -4.700 5.582 1.00 73.03 H new ATOM 0 HG22 THR A 34 4.123 -3.977 5.098 1.00 73.03 H new ATOM 0 HG23 THR A 34 4.397 -4.441 6.793 1.00 73.03 H new ATOM 530 N VAL A 35 1.806 -5.390 3.505 1.00 61.23 N ATOM 531 CA VAL A 35 1.191 -4.488 2.538 1.00 23.15 C ATOM 532 C VAL A 35 -0.302 -4.334 2.804 1.00 75.44 C ATOM 533 O VAL A 35 -0.796 -3.227 3.013 1.00 12.50 O ATOM 534 CB VAL A 35 1.397 -4.984 1.096 1.00 61.41 C ATOM 535 CG1 VAL A 35 0.421 -4.300 0.150 1.00 40.33 C ATOM 536 CG2 VAL A 35 2.833 -4.752 0.653 1.00 70.15 C ATOM 0 H VAL A 35 2.188 -6.245 3.100 1.00 61.23 H new ATOM 0 HA VAL A 35 1.679 -3.520 2.653 1.00 23.15 H new ATOM 0 HB VAL A 35 1.201 -6.056 1.068 1.00 61.41 H new ATOM 0 HG11 VAL A 35 0.582 -4.664 -0.865 1.00 40.33 H new ATOM 0 HG12 VAL A 35 -0.601 -4.523 0.457 1.00 40.33 H new ATOM 0 HG13 VAL A 35 0.581 -3.222 0.179 1.00 40.33 H new ATOM 0 HG21 VAL A 35 2.961 -5.109 -0.369 1.00 70.15 H new ATOM 0 HG22 VAL A 35 3.060 -3.687 0.696 1.00 70.15 H new ATOM 0 HG23 VAL A 35 3.510 -5.294 1.314 1.00 70.15 H new ATOM 546 N TYR A 36 -1.017 -5.455 2.793 1.00 54.41 N ATOM 547 CA TYR A 36 -2.456 -5.445 3.030 1.00 13.21 C ATOM 548 C TYR A 36 -2.791 -4.689 4.312 1.00 11.14 C ATOM 549 O TYR A 36 -3.765 -3.936 4.367 1.00 53.14 O ATOM 550 CB TYR A 36 -2.989 -6.876 3.114 1.00 33.55 C ATOM 551 CG TYR A 36 -4.469 -6.988 2.826 1.00 14.21 C ATOM 552 CD1 TYR A 36 -5.013 -6.455 1.663 1.00 75.51 C ATOM 553 CD2 TYR A 36 -5.325 -7.625 3.716 1.00 42.10 C ATOM 554 CE1 TYR A 36 -6.364 -6.555 1.395 1.00 12.14 C ATOM 555 CE2 TYR A 36 -6.677 -7.730 3.456 1.00 34.12 C ATOM 556 CZ TYR A 36 -7.192 -7.193 2.295 1.00 72.30 C ATOM 557 OH TYR A 36 -8.540 -7.296 2.033 1.00 52.42 O ATOM 0 H TYR A 36 -0.624 -6.381 2.623 1.00 54.41 H new ATOM 0 HA TYR A 36 -2.934 -4.935 2.194 1.00 13.21 H new ATOM 0 HB2 TYR A 36 -2.442 -7.501 2.408 1.00 33.55 H new ATOM 0 HB3 TYR A 36 -2.790 -7.271 4.110 1.00 33.55 H new ATOM 0 HD1 TYR A 36 -4.368 -5.954 0.957 1.00 75.51 H new ATOM 0 HD2 TYR A 36 -4.926 -8.045 4.627 1.00 42.10 H new ATOM 0 HE1 TYR A 36 -6.770 -6.136 0.486 1.00 12.14 H new ATOM 0 HE2 TYR A 36 -7.328 -8.230 4.158 1.00 34.12 H new ATOM 0 HH TYR A 36 -8.980 -7.775 2.766 1.00 52.42 H new ATOM 567 N LYS A 37 -1.978 -4.895 5.343 1.00 33.35 N ATOM 568 CA LYS A 37 -2.185 -4.233 6.625 1.00 10.14 C ATOM 569 C LYS A 37 -2.112 -2.717 6.473 1.00 31.31 C ATOM 570 O LYS A 37 -2.778 -1.979 7.199 1.00 14.41 O ATOM 571 CB LYS A 37 -1.143 -4.705 7.640 1.00 43.23 C ATOM 572 CG LYS A 37 -1.208 -3.968 8.967 1.00 4.01 C ATOM 573 CD LYS A 37 -0.259 -4.574 9.988 1.00 51.02 C ATOM 574 CE LYS A 37 -0.585 -4.106 11.398 1.00 0.41 C ATOM 575 NZ LYS A 37 0.330 -4.707 12.407 1.00 23.32 N ATOM 0 H LYS A 37 -1.169 -5.516 5.315 1.00 33.35 H new ATOM 0 HA LYS A 37 -3.179 -4.497 6.985 1.00 10.14 H new ATOM 0 HB2 LYS A 37 -1.280 -5.771 7.819 1.00 43.23 H new ATOM 0 HB3 LYS A 37 -0.148 -4.579 7.212 1.00 43.23 H new ATOM 0 HG2 LYS A 37 -0.957 -2.918 8.814 1.00 4.01 H new ATOM 0 HG3 LYS A 37 -2.227 -4.000 9.352 1.00 4.01 H new ATOM 0 HD2 LYS A 37 -0.319 -5.661 9.941 1.00 51.02 H new ATOM 0 HD3 LYS A 37 0.767 -4.300 9.741 1.00 51.02 H new ATOM 0 HE2 LYS A 37 -0.514 -3.019 11.445 1.00 0.41 H new ATOM 0 HE3 LYS A 37 -1.615 -4.369 11.639 1.00 0.41 H new ATOM 0 HZ1 LYS A 37 0.075 -4.363 13.355 1.00 23.32 H new ATOM 0 HZ2 LYS A 37 0.244 -5.743 12.380 1.00 23.32 H new ATOM 0 HZ3 LYS A 37 1.311 -4.435 12.192 1.00 23.32 H new ATOM 589 N ALA A 38 -1.302 -2.260 5.524 1.00 62.41 N ATOM 590 CA ALA A 38 -1.146 -0.832 5.276 1.00 71.54 C ATOM 591 C ALA A 38 -2.323 -0.282 4.477 1.00 62.44 C ATOM 592 O ALA A 38 -2.727 0.867 4.659 1.00 1.14 O ATOM 593 CB ALA A 38 0.161 -0.564 4.545 1.00 40.14 C ATOM 0 H ALA A 38 -0.744 -2.858 4.914 1.00 62.41 H new ATOM 0 HA ALA A 38 -1.123 -0.321 6.239 1.00 71.54 H new ATOM 0 HB1 ALA A 38 0.265 0.506 4.366 1.00 40.14 H new ATOM 0 HB2 ALA A 38 0.996 -0.913 5.153 1.00 40.14 H new ATOM 0 HB3 ALA A 38 0.160 -1.093 3.592 1.00 40.14 H new ATOM 599 N LEU A 39 -2.868 -1.108 3.591 1.00 1.30 N ATOM 600 CA LEU A 39 -3.999 -0.704 2.763 1.00 21.42 C ATOM 601 C LEU A 39 -5.264 -0.560 3.603 1.00 62.20 C ATOM 602 O LEU A 39 -5.958 0.454 3.528 1.00 53.02 O ATOM 603 CB LEU A 39 -4.228 -1.723 1.645 1.00 5.13 C ATOM 604 CG LEU A 39 -3.004 -2.080 0.802 1.00 72.20 C ATOM 605 CD1 LEU A 39 -3.248 -3.366 0.027 1.00 42.23 C ATOM 606 CD2 LEU A 39 -2.659 -0.941 -0.146 1.00 32.23 C ATOM 0 H LEU A 39 -2.545 -2.062 3.427 1.00 1.30 H new ATOM 0 HA LEU A 39 -3.766 0.265 2.321 1.00 21.42 H new ATOM 0 HB2 LEU A 39 -4.618 -2.639 2.090 1.00 5.13 H new ATOM 0 HB3 LEU A 39 -5.001 -1.337 0.981 1.00 5.13 H new ATOM 0 HG LEU A 39 -2.158 -2.237 1.471 1.00 72.20 H new ATOM 0 HD11 LEU A 39 -2.366 -3.605 -0.568 1.00 42.23 H new ATOM 0 HD12 LEU A 39 -3.447 -4.179 0.725 1.00 42.23 H new ATOM 0 HD13 LEU A 39 -4.106 -3.236 -0.632 1.00 42.23 H new ATOM 0 HD21 LEU A 39 -1.785 -1.213 -0.738 1.00 32.23 H new ATOM 0 HD22 LEU A 39 -3.503 -0.752 -0.810 1.00 32.23 H new ATOM 0 HD23 LEU A 39 -2.442 -0.041 0.430 1.00 32.23 H new ATOM 618 N GLU A 40 -5.557 -1.580 4.403 1.00 4.01 N ATOM 619 CA GLU A 40 -6.738 -1.566 5.258 1.00 1.45 C ATOM 620 C GLU A 40 -6.784 -0.294 6.100 1.00 4.51 C ATOM 621 O GLU A 40 -7.858 0.185 6.464 1.00 12.22 O ATOM 622 CB GLU A 40 -6.751 -2.794 6.170 1.00 43.35 C ATOM 623 CG GLU A 40 -5.488 -2.949 7.001 1.00 43.34 C ATOM 624 CD GLU A 40 -5.695 -3.828 8.219 1.00 11.21 C ATOM 625 OE1 GLU A 40 -6.817 -4.349 8.390 1.00 13.45 O ATOM 626 OE2 GLU A 40 -4.735 -3.995 9.001 1.00 30.12 O ATOM 0 H GLU A 40 -4.993 -2.427 4.477 1.00 4.01 H new ATOM 0 HA GLU A 40 -7.619 -1.590 4.617 1.00 1.45 H new ATOM 0 HB2 GLU A 40 -7.610 -2.731 6.838 1.00 43.35 H new ATOM 0 HB3 GLU A 40 -6.887 -3.687 5.560 1.00 43.35 H new ATOM 0 HG2 GLU A 40 -4.699 -3.374 6.380 1.00 43.34 H new ATOM 0 HG3 GLU A 40 -5.146 -1.965 7.322 1.00 43.34 H new ATOM 633 N LYS A 41 -5.610 0.248 6.408 1.00 11.54 N ATOM 634 CA LYS A 41 -5.514 1.465 7.207 1.00 71.53 C ATOM 635 C LYS A 41 -5.806 2.697 6.358 1.00 14.22 C ATOM 636 O LYS A 41 -6.475 3.629 6.807 1.00 61.34 O ATOM 637 CB LYS A 41 -4.122 1.580 7.831 1.00 3.01 C ATOM 638 CG LYS A 41 -4.140 1.648 9.349 1.00 63.31 C ATOM 639 CD LYS A 41 -4.116 0.261 9.969 1.00 64.24 C ATOM 640 CE LYS A 41 -5.523 -0.270 10.201 1.00 13.21 C ATOM 641 NZ LYS A 41 -5.599 -1.124 11.418 1.00 52.13 N ATOM 0 H LYS A 41 -4.711 -0.136 6.116 1.00 11.54 H new ATOM 0 HA LYS A 41 -6.258 1.409 8.001 1.00 71.53 H new ATOM 0 HB2 LYS A 41 -3.522 0.724 7.521 1.00 3.01 H new ATOM 0 HB3 LYS A 41 -3.631 2.472 7.441 1.00 3.01 H new ATOM 0 HG2 LYS A 41 -3.280 2.219 9.699 1.00 63.31 H new ATOM 0 HG3 LYS A 41 -5.032 2.180 9.680 1.00 63.31 H new ATOM 0 HD2 LYS A 41 -3.571 -0.421 9.316 1.00 64.24 H new ATOM 0 HD3 LYS A 41 -3.577 0.294 10.916 1.00 64.24 H new ATOM 0 HE2 LYS A 41 -6.215 0.566 10.300 1.00 13.21 H new ATOM 0 HE3 LYS A 41 -5.842 -0.846 9.332 1.00 13.21 H new ATOM 0 HZ1 LYS A 41 -6.573 -1.466 11.542 1.00 52.13 H new ATOM 0 HZ2 LYS A 41 -4.957 -1.936 11.313 1.00 52.13 H new ATOM 0 HZ3 LYS A 41 -5.319 -0.567 12.251 1.00 52.13 H new ATOM 655 N LEU A 42 -5.302 2.696 5.128 1.00 30.00 N ATOM 656 CA LEU A 42 -5.510 3.815 4.215 1.00 24.23 C ATOM 657 C LEU A 42 -6.964 3.880 3.758 1.00 33.23 C ATOM 658 O LEU A 42 -7.595 4.936 3.816 1.00 71.35 O ATOM 659 CB LEU A 42 -4.587 3.687 3.002 1.00 34.42 C ATOM 660 CG LEU A 42 -3.105 3.964 3.254 1.00 13.33 C ATOM 661 CD1 LEU A 42 -2.239 3.067 2.384 1.00 22.11 C ATOM 662 CD2 LEU A 42 -2.786 5.429 2.997 1.00 5.44 C ATOM 0 H LEU A 42 -4.747 1.933 4.740 1.00 30.00 H new ATOM 0 HA LEU A 42 -5.274 4.736 4.747 1.00 24.23 H new ATOM 0 HB2 LEU A 42 -4.684 2.678 2.601 1.00 34.42 H new ATOM 0 HB3 LEU A 42 -4.938 4.372 2.230 1.00 34.42 H new ATOM 0 HG LEU A 42 -2.886 3.743 4.299 1.00 13.33 H new ATOM 0 HD11 LEU A 42 -1.187 3.278 2.577 1.00 22.11 H new ATOM 0 HD12 LEU A 42 -2.448 2.023 2.617 1.00 22.11 H new ATOM 0 HD13 LEU A 42 -2.460 3.256 1.333 1.00 22.11 H new ATOM 0 HD21 LEU A 42 -1.727 5.608 3.181 1.00 5.44 H new ATOM 0 HD22 LEU A 42 -3.021 5.676 1.962 1.00 5.44 H new ATOM 0 HD23 LEU A 42 -3.381 6.053 3.664 1.00 5.44 H new ATOM 674 N GLU A 43 -7.489 2.746 3.306 1.00 51.04 N ATOM 675 CA GLU A 43 -8.869 2.676 2.840 1.00 33.33 C ATOM 676 C GLU A 43 -9.830 3.192 3.907 1.00 23.14 C ATOM 677 O GLU A 43 -10.809 3.870 3.600 1.00 73.20 O ATOM 678 CB GLU A 43 -9.231 1.237 2.464 1.00 74.11 C ATOM 679 CG GLU A 43 -10.047 1.130 1.186 1.00 24.04 C ATOM 680 CD GLU A 43 -10.647 -0.250 0.993 1.00 74.40 C ATOM 681 OE1 GLU A 43 -11.780 -0.477 1.466 1.00 2.01 O ATOM 682 OE2 GLU A 43 -9.982 -1.102 0.366 1.00 35.34 O ATOM 0 H GLU A 43 -6.980 1.864 3.253 1.00 51.04 H new ATOM 0 HA GLU A 43 -8.960 3.309 1.957 1.00 33.33 H new ATOM 0 HB2 GLU A 43 -8.314 0.658 2.350 1.00 74.11 H new ATOM 0 HB3 GLU A 43 -9.792 0.786 3.283 1.00 74.11 H new ATOM 0 HG2 GLU A 43 -10.847 1.871 1.206 1.00 24.04 H new ATOM 0 HG3 GLU A 43 -9.412 1.369 0.333 1.00 24.04 H new ATOM 689 N ALA A 44 -9.543 2.863 5.163 1.00 73.54 N ATOM 690 CA ALA A 44 -10.379 3.294 6.275 1.00 21.52 C ATOM 691 C ALA A 44 -10.401 4.814 6.390 1.00 73.51 C ATOM 692 O ALA A 44 -11.321 5.389 6.971 1.00 45.20 O ATOM 693 CB ALA A 44 -9.891 2.671 7.575 1.00 72.41 C ATOM 0 H ALA A 44 -8.738 2.299 5.435 1.00 73.54 H new ATOM 0 HA ALA A 44 -11.397 2.956 6.083 1.00 21.52 H new ATOM 0 HB1 ALA A 44 -10.525 3.002 8.398 1.00 72.41 H new ATOM 0 HB2 ALA A 44 -9.935 1.585 7.497 1.00 72.41 H new ATOM 0 HB3 ALA A 44 -8.863 2.980 7.763 1.00 72.41 H new ATOM 699 N MET A 45 -9.382 5.459 5.832 1.00 1.41 N ATOM 700 CA MET A 45 -9.285 6.914 5.872 1.00 62.01 C ATOM 701 C MET A 45 -9.738 7.525 4.550 1.00 51.15 C ATOM 702 O MET A 45 -10.181 8.672 4.504 1.00 4.32 O ATOM 703 CB MET A 45 -7.850 7.343 6.182 1.00 72.43 C ATOM 704 CG MET A 45 -7.413 7.025 7.602 1.00 3.32 C ATOM 705 SD MET A 45 -8.191 8.099 8.825 1.00 33.42 S ATOM 706 CE MET A 45 -7.021 9.454 8.878 1.00 31.53 C ATOM 0 H MET A 45 -8.612 4.998 5.347 1.00 1.41 H new ATOM 0 HA MET A 45 -9.942 7.276 6.663 1.00 62.01 H new ATOM 0 HB2 MET A 45 -7.174 6.850 5.484 1.00 72.43 H new ATOM 0 HB3 MET A 45 -7.756 8.416 6.014 1.00 72.43 H new ATOM 0 HG2 MET A 45 -7.656 5.987 7.829 1.00 3.32 H new ATOM 0 HG3 MET A 45 -6.330 7.122 7.675 1.00 3.32 H new ATOM 0 HE1 MET A 45 -7.364 10.203 9.592 1.00 31.53 H new ATOM 0 HE2 MET A 45 -6.044 9.080 9.185 1.00 31.53 H new ATOM 0 HE3 MET A 45 -6.942 9.905 7.889 1.00 31.53 H new ATOM 716 N GLY A 46 -9.622 6.751 3.475 1.00 11.22 N ATOM 717 CA GLY A 46 -10.022 7.235 2.167 1.00 55.22 C ATOM 718 C GLY A 46 -8.846 7.723 1.344 1.00 75.44 C ATOM 719 O GLY A 46 -9.005 8.565 0.460 1.00 3.44 O ATOM 0 H GLY A 46 -9.258 5.798 3.487 1.00 11.22 H new ATOM 0 HA2 GLY A 46 -10.532 6.437 1.628 1.00 55.22 H new ATOM 0 HA3 GLY A 46 -10.739 8.047 2.287 1.00 55.22 H new ATOM 723 N ARG A 47 -7.663 7.192 1.634 1.00 52.43 N ATOM 724 CA ARG A 47 -6.455 7.581 0.916 1.00 41.10 C ATOM 725 C ARG A 47 -6.312 6.784 -0.379 1.00 11.34 C ATOM 726 O ARG A 47 -5.889 7.319 -1.404 1.00 12.13 O ATOM 727 CB ARG A 47 -5.222 7.368 1.796 1.00 42.40 C ATOM 728 CG ARG A 47 -5.428 7.786 3.243 1.00 14.54 C ATOM 729 CD ARG A 47 -5.879 9.236 3.345 1.00 2.41 C ATOM 730 NE ARG A 47 -4.994 10.025 4.197 1.00 40.31 N ATOM 731 CZ ARG A 47 -5.227 11.291 4.526 1.00 3.35 C ATOM 732 NH1 ARG A 47 -6.312 11.907 4.077 1.00 51.11 N ATOM 733 NH2 ARG A 47 -4.376 11.943 5.308 1.00 75.35 N ATOM 0 H ARG A 47 -7.515 6.492 2.361 1.00 52.43 H new ATOM 0 HA ARG A 47 -6.536 8.639 0.665 1.00 41.10 H new ATOM 0 HB2 ARG A 47 -4.943 6.315 1.767 1.00 42.40 H new ATOM 0 HB3 ARG A 47 -4.387 7.931 1.379 1.00 42.40 H new ATOM 0 HG2 ARG A 47 -6.172 7.139 3.708 1.00 14.54 H new ATOM 0 HG3 ARG A 47 -4.499 7.653 3.797 1.00 14.54 H new ATOM 0 HD2 ARG A 47 -5.911 9.677 2.349 1.00 2.41 H new ATOM 0 HD3 ARG A 47 -6.893 9.273 3.743 1.00 2.41 H new ATOM 0 HE ARG A 47 -4.151 9.580 4.559 1.00 40.31 H new ATOM 0 HH11 ARG A 47 -6.970 11.409 3.478 1.00 51.11 H new ATOM 0 HH12 ARG A 47 -6.489 12.879 4.331 1.00 51.11 H new ATOM 0 HH21 ARG A 47 -3.541 11.472 5.658 1.00 75.35 H new ATOM 0 HH22 ARG A 47 -4.557 12.915 5.560 1.00 75.35 H new ATOM 747 N ILE A 48 -6.667 5.505 -0.322 1.00 53.11 N ATOM 748 CA ILE A 48 -6.578 4.637 -1.490 1.00 2.41 C ATOM 749 C ILE A 48 -7.915 4.560 -2.220 1.00 45.12 C ATOM 750 O ILE A 48 -8.201 3.583 -2.913 1.00 1.22 O ATOM 751 CB ILE A 48 -6.135 3.215 -1.100 1.00 23.43 C ATOM 752 CG1 ILE A 48 -7.116 2.609 -0.094 1.00 71.54 C ATOM 753 CG2 ILE A 48 -4.727 3.236 -0.527 1.00 43.51 C ATOM 754 CD1 ILE A 48 -6.761 1.199 0.323 1.00 52.23 C ATOM 0 H ILE A 48 -7.018 5.047 0.519 1.00 53.11 H new ATOM 0 HA ILE A 48 -5.830 5.073 -2.153 1.00 2.41 H new ATOM 0 HB ILE A 48 -6.132 2.594 -1.996 1.00 23.43 H new ATOM 0 HG12 ILE A 48 -7.153 3.243 0.792 1.00 71.54 H new ATOM 0 HG13 ILE A 48 -8.116 2.610 -0.528 1.00 71.54 H new ATOM 0 HG21 ILE A 48 -4.429 2.223 -0.256 1.00 43.51 H new ATOM 0 HG22 ILE A 48 -4.037 3.630 -1.273 1.00 43.51 H new ATOM 0 HG23 ILE A 48 -4.704 3.870 0.359 1.00 43.51 H new ATOM 0 HD11 ILE A 48 -7.499 0.834 1.037 1.00 52.23 H new ATOM 0 HD12 ILE A 48 -6.753 0.551 -0.554 1.00 52.23 H new ATOM 0 HD13 ILE A 48 -5.775 1.194 0.787 1.00 52.23 H new ATOM 1035 N THR A 62 -1.692 14.729 -22.404 1.00 75.11 N ATOM 1036 CA THR A 62 -2.964 14.811 -23.111 1.00 62.15 C ATOM 1037 C THR A 62 -3.766 16.026 -22.661 1.00 32.33 C ATOM 1038 O THR A 62 -3.455 16.644 -21.644 1.00 43.01 O ATOM 1039 CB THR A 62 -3.809 13.542 -22.894 1.00 30.53 C ATOM 1040 OG1 THR A 62 -2.954 12.409 -22.706 1.00 54.15 O ATOM 1041 CG2 THR A 62 -4.731 13.297 -24.079 1.00 33.42 C ATOM 0 HA THR A 62 -2.731 14.906 -24.172 1.00 62.15 H new ATOM 0 HB THR A 62 -4.419 13.687 -22.003 1.00 30.53 H new ATOM 0 HG1 THR A 62 -2.446 12.517 -21.875 1.00 54.15 H new ATOM 0 HG21 THR A 62 -5.318 12.395 -23.903 1.00 33.42 H new ATOM 0 HG22 THR A 62 -5.401 14.148 -24.201 1.00 33.42 H new ATOM 0 HG23 THR A 62 -4.136 13.172 -24.983 1.00 33.42 H new ATOM 1049 N GLU A 63 -4.801 16.362 -23.424 1.00 60.02 N ATOM 1050 CA GLU A 63 -5.649 17.505 -23.102 1.00 41.05 C ATOM 1051 C GLU A 63 -6.187 17.397 -21.678 1.00 14.11 C ATOM 1052 O GLU A 63 -6.474 18.407 -21.035 1.00 71.23 O ATOM 1053 CB GLU A 63 -6.811 17.602 -24.094 1.00 45.54 C ATOM 1054 CG GLU A 63 -6.879 18.934 -24.821 1.00 44.12 C ATOM 1055 CD GLU A 63 -7.644 18.847 -26.127 1.00 65.13 C ATOM 1056 OE1 GLU A 63 -8.888 18.950 -26.095 1.00 41.22 O ATOM 1057 OE2 GLU A 63 -6.998 18.674 -27.183 1.00 24.33 O ATOM 0 H GLU A 63 -5.073 15.860 -24.269 1.00 60.02 H new ATOM 0 HA GLU A 63 -5.043 18.408 -23.176 1.00 41.05 H new ATOM 0 HB2 GLU A 63 -6.719 16.801 -24.828 1.00 45.54 H new ATOM 0 HB3 GLU A 63 -7.748 17.440 -23.561 1.00 45.54 H new ATOM 0 HG2 GLU A 63 -7.353 19.673 -24.175 1.00 44.12 H new ATOM 0 HG3 GLU A 63 -5.867 19.287 -25.020 1.00 44.12 H new ATOM 1064 N GLU A 64 -6.322 16.167 -21.194 1.00 23.23 N ATOM 1065 CA GLU A 64 -6.829 15.929 -19.847 1.00 72.43 C ATOM 1066 C GLU A 64 -5.778 16.288 -18.800 1.00 32.14 C ATOM 1067 O GLU A 64 -6.071 16.983 -17.827 1.00 64.22 O ATOM 1068 CB GLU A 64 -7.244 14.465 -19.687 1.00 34.52 C ATOM 1069 CG GLU A 64 -8.721 14.281 -19.378 1.00 52.21 C ATOM 1070 CD GLU A 64 -9.593 14.380 -20.615 1.00 41.35 C ATOM 1071 OE1 GLU A 64 -9.227 15.137 -21.539 1.00 5.53 O ATOM 1072 OE2 GLU A 64 -10.639 13.700 -20.660 1.00 41.50 O ATOM 0 H GLU A 64 -6.088 15.321 -21.713 1.00 23.23 H new ATOM 0 HA GLU A 64 -7.701 16.566 -19.696 1.00 72.43 H new ATOM 0 HB2 GLU A 64 -7.003 13.926 -20.603 1.00 34.52 H new ATOM 0 HB3 GLU A 64 -6.655 14.015 -18.888 1.00 34.52 H new ATOM 0 HG2 GLU A 64 -8.872 13.309 -18.909 1.00 52.21 H new ATOM 0 HG3 GLU A 64 -9.034 15.035 -18.656 1.00 52.21 H new ATOM 1079 N GLU A 65 -4.556 15.809 -19.007 1.00 15.22 N ATOM 1080 CA GLU A 65 -3.463 16.079 -18.080 1.00 34.22 C ATOM 1081 C GLU A 65 -3.052 17.547 -18.138 1.00 43.31 C ATOM 1082 O GLU A 65 -2.714 18.149 -17.117 1.00 2.51 O ATOM 1083 CB GLU A 65 -2.261 15.188 -18.401 1.00 70.14 C ATOM 1084 CG GLU A 65 -2.448 13.740 -17.982 1.00 22.33 C ATOM 1085 CD GLU A 65 -2.972 12.870 -19.107 1.00 41.04 C ATOM 1086 OE1 GLU A 65 -2.289 12.769 -20.148 1.00 62.32 O ATOM 1087 OE2 GLU A 65 -4.066 12.288 -18.947 1.00 44.42 O ATOM 0 H GLU A 65 -4.298 15.232 -19.808 1.00 15.22 H new ATOM 0 HA GLU A 65 -3.812 15.857 -17.072 1.00 34.22 H new ATOM 0 HB2 GLU A 65 -2.068 15.225 -19.473 1.00 70.14 H new ATOM 0 HB3 GLU A 65 -1.378 15.590 -17.904 1.00 70.14 H new ATOM 0 HG2 GLU A 65 -1.496 13.341 -17.633 1.00 22.33 H new ATOM 0 HG3 GLU A 65 -3.140 13.696 -17.141 1.00 22.33 H new ATOM 1094 N LEU A 66 -3.081 18.118 -19.337 1.00 22.50 N ATOM 1095 CA LEU A 66 -2.711 19.516 -19.528 1.00 33.15 C ATOM 1096 C LEU A 66 -3.591 20.433 -18.684 1.00 42.30 C ATOM 1097 O LEU A 66 -3.159 21.503 -18.257 1.00 52.43 O ATOM 1098 CB LEU A 66 -2.828 19.896 -21.005 1.00 12.23 C ATOM 1099 CG LEU A 66 -1.694 19.419 -21.913 1.00 71.54 C ATOM 1100 CD1 LEU A 66 -2.209 19.169 -23.322 1.00 42.33 C ATOM 1101 CD2 LEU A 66 -0.560 20.434 -21.929 1.00 30.24 C ATOM 0 H LEU A 66 -3.357 17.634 -20.192 1.00 22.50 H new ATOM 0 HA LEU A 66 -1.677 19.640 -19.207 1.00 33.15 H new ATOM 0 HB2 LEU A 66 -3.767 19.496 -21.389 1.00 12.23 H new ATOM 0 HB3 LEU A 66 -2.891 20.982 -21.076 1.00 12.23 H new ATOM 0 HG LEU A 66 -1.307 18.480 -21.517 1.00 71.54 H new ATOM 0 HD11 LEU A 66 -1.388 18.830 -23.955 1.00 42.33 H new ATOM 0 HD12 LEU A 66 -2.986 18.405 -23.295 1.00 42.33 H new ATOM 0 HD13 LEU A 66 -2.622 20.093 -23.728 1.00 42.33 H new ATOM 0 HD21 LEU A 66 0.238 20.078 -22.580 1.00 30.24 H new ATOM 0 HD22 LEU A 66 -0.932 21.389 -22.300 1.00 30.24 H new ATOM 0 HD23 LEU A 66 -0.173 20.563 -20.918 1.00 30.24 H new ATOM 1113 N ALA A 67 -4.826 20.004 -18.445 1.00 72.03 N ATOM 1114 CA ALA A 67 -5.764 20.784 -17.648 1.00 41.20 C ATOM 1115 C ALA A 67 -5.499 20.607 -16.158 1.00 45.40 C ATOM 1116 O ALA A 67 -5.812 21.484 -15.351 1.00 64.33 O ATOM 1117 CB ALA A 67 -7.196 20.389 -17.981 1.00 51.41 C ATOM 0 H ALA A 67 -5.200 19.121 -18.792 1.00 72.03 H new ATOM 0 HA ALA A 67 -5.622 21.837 -17.893 1.00 41.20 H new ATOM 0 HB1 ALA A 67 -7.886 20.980 -17.378 1.00 51.41 H new ATOM 0 HB2 ALA A 67 -7.388 20.574 -19.038 1.00 51.41 H new ATOM 0 HB3 ALA A 67 -7.341 19.330 -17.766 1.00 51.41 H new ATOM 1123 N THR A 68 -4.918 19.466 -15.795 1.00 54.42 N ATOM 1124 CA THR A 68 -4.611 19.173 -14.402 1.00 2.54 C ATOM 1125 C THR A 68 -3.287 19.803 -13.985 1.00 62.01 C ATOM 1126 O THR A 68 -3.149 20.301 -12.867 1.00 60.12 O ATOM 1127 CB THR A 68 -4.547 17.656 -14.147 1.00 41.01 C ATOM 1128 OG1 THR A 68 -5.809 17.054 -14.456 1.00 43.10 O ATOM 1129 CG2 THR A 68 -4.182 17.365 -12.700 1.00 64.20 C ATOM 0 H THR A 68 -4.651 18.730 -16.449 1.00 54.42 H new ATOM 0 HA THR A 68 -5.417 19.600 -13.806 1.00 2.54 H new ATOM 0 HB THR A 68 -3.776 17.234 -14.791 1.00 41.01 H new ATOM 0 HG1 THR A 68 -5.760 16.089 -14.293 1.00 43.10 H new ATOM 0 HG21 THR A 68 -4.143 16.287 -12.544 1.00 64.20 H new ATOM 0 HG22 THR A 68 -3.208 17.799 -12.476 1.00 64.20 H new ATOM 0 HG23 THR A 68 -4.933 17.800 -12.041 1.00 64.20 H new ATOM 1137 N ILE A 69 -2.315 19.779 -14.891 1.00 34.21 N ATOM 1138 CA ILE A 69 -1.001 20.349 -14.618 1.00 30.31 C ATOM 1139 C ILE A 69 -1.091 21.856 -14.402 1.00 70.11 C ATOM 1140 O ILE A 69 -0.394 22.414 -13.554 1.00 70.24 O ATOM 1141 CB ILE A 69 -0.014 20.064 -15.765 1.00 22.31 C ATOM 1142 CG1 ILE A 69 1.351 20.682 -15.457 1.00 33.42 C ATOM 1143 CG2 ILE A 69 -0.560 20.601 -17.080 1.00 0.14 C ATOM 1144 CD1 ILE A 69 2.419 20.322 -16.467 1.00 30.43 C ATOM 0 H ILE A 69 -2.413 19.371 -15.821 1.00 34.21 H new ATOM 0 HA ILE A 69 -0.634 19.875 -13.708 1.00 30.31 H new ATOM 0 HB ILE A 69 0.109 18.985 -15.859 1.00 22.31 H new ATOM 0 HG12 ILE A 69 1.249 21.767 -15.419 1.00 33.42 H new ATOM 0 HG13 ILE A 69 1.673 20.357 -14.468 1.00 33.42 H new ATOM 0 HG21 ILE A 69 0.149 20.392 -17.881 1.00 0.14 H new ATOM 0 HG22 ILE A 69 -1.512 20.119 -17.303 1.00 0.14 H new ATOM 0 HG23 ILE A 69 -0.709 21.678 -16.999 1.00 0.14 H new ATOM 0 HD11 ILE A 69 3.360 20.795 -16.186 1.00 30.43 H new ATOM 0 HD12 ILE A 69 2.549 19.240 -16.489 1.00 30.43 H new ATOM 0 HD13 ILE A 69 2.118 20.672 -17.455 1.00 30.43 H new ATOM 1156 N ARG A 70 -1.955 22.509 -15.173 1.00 3.11 N ATOM 1157 CA ARG A 70 -2.136 23.951 -15.065 1.00 54.52 C ATOM 1158 C ARG A 70 -2.518 24.347 -13.642 1.00 44.15 C ATOM 1159 O ARG A 70 -2.302 25.484 -13.224 1.00 74.15 O ATOM 1160 CB ARG A 70 -3.212 24.425 -16.044 1.00 75.10 C ATOM 1161 CG ARG A 70 -4.629 24.114 -15.590 1.00 42.31 C ATOM 1162 CD ARG A 70 -5.317 25.348 -15.027 1.00 22.32 C ATOM 1163 NE ARG A 70 -6.366 25.842 -15.915 1.00 60.44 N ATOM 1164 CZ ARG A 70 -6.848 27.079 -15.866 1.00 73.11 C ATOM 1165 NH1 ARG A 70 -6.378 27.943 -14.976 1.00 64.54 N ATOM 1166 NH2 ARG A 70 -7.803 27.454 -16.708 1.00 53.43 N ATOM 0 H ARG A 70 -2.540 22.062 -15.879 1.00 3.11 H new ATOM 0 HA ARG A 70 -1.189 24.430 -15.315 1.00 54.52 H new ATOM 0 HB2 ARG A 70 -3.113 25.501 -16.186 1.00 75.10 H new ATOM 0 HB3 ARG A 70 -3.040 23.958 -17.014 1.00 75.10 H new ATOM 0 HG2 ARG A 70 -5.205 23.727 -16.431 1.00 42.31 H new ATOM 0 HG3 ARG A 70 -4.606 23.331 -14.832 1.00 42.31 H new ATOM 0 HD2 ARG A 70 -5.747 25.111 -14.054 1.00 22.32 H new ATOM 0 HD3 ARG A 70 -4.578 26.133 -14.866 1.00 22.32 H new ATOM 0 HE ARG A 70 -6.749 25.202 -16.611 1.00 60.44 H new ATOM 0 HH11 ARG A 70 -5.645 27.658 -14.327 1.00 64.54 H new ATOM 0 HH12 ARG A 70 -6.750 28.892 -14.941 1.00 64.54 H new ATOM 0 HH21 ARG A 70 -8.167 26.792 -17.393 1.00 53.43 H new ATOM 0 HH22 ARG A 70 -8.173 28.404 -16.670 1.00 53.43 H new ATOM 1180 N GLU A 71 -3.087 23.400 -12.903 1.00 30.12 N ATOM 1181 CA GLU A 71 -3.500 23.650 -11.527 1.00 11.12 C ATOM 1182 C GLU A 71 -2.344 24.214 -10.706 1.00 64.55 C ATOM 1183 O GLU A 71 -2.550 24.995 -9.776 1.00 22.31 O ATOM 1184 CB GLU A 71 -4.017 22.362 -10.884 1.00 43.21 C ATOM 1185 CG GLU A 71 -5.290 21.832 -11.521 1.00 61.41 C ATOM 1186 CD GLU A 71 -6.528 22.570 -11.054 1.00 21.51 C ATOM 1187 OE1 GLU A 71 -6.555 23.814 -11.161 1.00 64.22 O ATOM 1188 OE2 GLU A 71 -7.473 21.903 -10.581 1.00 1.43 O ATOM 0 H GLU A 71 -3.272 22.453 -13.234 1.00 30.12 H new ATOM 0 HA GLU A 71 -4.304 24.386 -11.544 1.00 11.12 H new ATOM 0 HB2 GLU A 71 -3.243 21.597 -10.949 1.00 43.21 H new ATOM 0 HB3 GLU A 71 -4.199 22.542 -9.825 1.00 43.21 H new ATOM 0 HG2 GLU A 71 -5.210 21.914 -12.605 1.00 61.41 H new ATOM 0 HG3 GLU A 71 -5.394 20.772 -11.288 1.00 61.41 H new ATOM 1195 N LEU A 72 -1.127 23.812 -11.056 1.00 62.35 N ATOM 1196 CA LEU A 72 0.064 24.275 -10.352 1.00 43.00 C ATOM 1197 C LEU A 72 0.102 25.799 -10.289 1.00 73.51 C ATOM 1198 O LEU A 72 0.766 26.379 -9.431 1.00 32.10 O ATOM 1199 CB LEU A 72 1.325 23.750 -11.041 1.00 22.43 C ATOM 1200 CG LEU A 72 1.902 24.633 -12.149 1.00 24.45 C ATOM 1201 CD1 LEU A 72 0.822 25.000 -13.155 1.00 74.20 C ATOM 1202 CD2 LEU A 72 2.531 25.886 -11.558 1.00 63.43 C ATOM 0 H LEU A 72 -0.939 23.166 -11.823 1.00 62.35 H new ATOM 0 HA LEU A 72 0.027 23.889 -9.333 1.00 43.00 H new ATOM 0 HB2 LEU A 72 2.095 23.603 -10.283 1.00 22.43 H new ATOM 0 HB3 LEU A 72 1.103 22.770 -11.464 1.00 22.43 H new ATOM 0 HG LEU A 72 2.678 24.071 -12.669 1.00 24.45 H new ATOM 0 HD11 LEU A 72 1.250 25.628 -13.936 1.00 74.20 H new ATOM 0 HD12 LEU A 72 0.417 24.092 -13.601 1.00 74.20 H new ATOM 0 HD13 LEU A 72 0.024 25.543 -12.650 1.00 74.20 H new ATOM 0 HD21 LEU A 72 2.936 26.503 -12.360 1.00 63.43 H new ATOM 0 HD22 LEU A 72 1.774 26.451 -11.013 1.00 63.43 H new ATOM 0 HD23 LEU A 72 3.333 25.604 -10.877 1.00 63.43 H new ATOM 1214 N TYR A 73 -0.616 26.441 -11.204 1.00 31.43 N ATOM 1215 CA TYR A 73 -0.665 27.897 -11.254 1.00 34.14 C ATOM 1216 C TYR A 73 -1.587 28.448 -10.170 1.00 35.05 C ATOM 1217 O TYR A 73 -1.253 29.418 -9.489 1.00 3.11 O ATOM 1218 CB TYR A 73 -1.141 28.365 -12.630 1.00 14.40 C ATOM 1219 CG TYR A 73 -0.334 29.515 -13.189 1.00 73.30 C ATOM 1220 CD1 TYR A 73 -0.036 30.626 -12.410 1.00 35.23 C ATOM 1221 CD2 TYR A 73 0.132 29.490 -14.499 1.00 4.02 C ATOM 1222 CE1 TYR A 73 0.699 31.679 -12.918 1.00 4.02 C ATOM 1223 CE2 TYR A 73 0.871 30.538 -15.014 1.00 11.10 C ATOM 1224 CZ TYR A 73 1.151 31.630 -14.220 1.00 72.02 C ATOM 1225 OH TYR A 73 1.886 32.677 -14.730 1.00 4.02 O ATOM 0 H TYR A 73 -1.172 25.976 -11.921 1.00 31.43 H new ATOM 0 HA TYR A 73 0.342 28.276 -11.077 1.00 34.14 H new ATOM 0 HB2 TYR A 73 -1.095 27.527 -13.326 1.00 14.40 H new ATOM 0 HB3 TYR A 73 -2.187 28.665 -12.561 1.00 14.40 H new ATOM 0 HD1 TYR A 73 -0.385 30.667 -11.389 1.00 35.23 H new ATOM 0 HD2 TYR A 73 -0.087 28.637 -15.124 1.00 4.02 H new ATOM 0 HE1 TYR A 73 0.919 32.536 -12.299 1.00 4.02 H new ATOM 0 HE2 TYR A 73 1.227 30.502 -16.033 1.00 11.10 H new ATOM 0 HH TYR A 73 2.128 32.485 -15.660 1.00 4.02 H new ATOM 1235 N LEU A 74 -2.749 27.823 -10.017 1.00 0.33 N ATOM 1236 CA LEU A 74 -3.721 28.248 -9.015 1.00 55.23 C ATOM 1237 C LEU A 74 -3.230 27.927 -7.608 1.00 1.22 C ATOM 1238 O LEU A 74 -3.363 28.738 -6.691 1.00 44.25 O ATOM 1239 CB LEU A 74 -5.070 27.571 -9.264 1.00 75.02 C ATOM 1240 CG LEU A 74 -5.784 27.954 -10.562 1.00 63.34 C ATOM 1241 CD1 LEU A 74 -5.248 27.136 -11.727 1.00 24.24 C ATOM 1242 CD2 LEU A 74 -7.287 27.763 -10.420 1.00 4.41 C ATOM 0 H LEU A 74 -3.041 27.020 -10.574 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.843 29.328 -9.099 1.00 55.23 H new ATOM 0 HB2 LEU A 74 -4.918 26.492 -9.261 1.00 75.02 H new ATOM 0 HB3 LEU A 74 -5.730 27.802 -8.428 1.00 75.02 H new ATOM 0 HG LEU A 74 -5.590 29.007 -10.765 1.00 63.34 H new ATOM 0 HD11 LEU A 74 -5.767 27.422 -12.642 1.00 24.24 H new ATOM 0 HD12 LEU A 74 -4.180 27.323 -11.842 1.00 24.24 H new ATOM 0 HD13 LEU A 74 -5.412 26.076 -11.533 1.00 24.24 H new ATOM 0 HD21 LEU A 74 -7.779 28.040 -11.352 1.00 4.41 H new ATOM 0 HD22 LEU A 74 -7.501 26.719 -10.193 1.00 4.41 H new ATOM 0 HD23 LEU A 74 -7.659 28.393 -9.612 1.00 4.41 H new ATOM 1254 N LYS A 75 -2.660 26.739 -7.443 1.00 63.55 N ATOM 1255 CA LYS A 75 -2.144 26.308 -6.148 1.00 54.04 C ATOM 1256 C LYS A 75 -0.755 26.886 -5.898 1.00 62.32 C ATOM 1257 O LYS A 75 -0.300 26.961 -4.758 1.00 24.01 O ATOM 1258 CB LYS A 75 -2.095 24.780 -6.078 1.00 54.54 C ATOM 1259 CG LYS A 75 -3.462 24.124 -6.147 1.00 23.11 C ATOM 1260 CD LYS A 75 -3.365 22.679 -6.608 1.00 45.40 C ATOM 1261 CE LYS A 75 -2.562 21.834 -5.630 1.00 11.33 C ATOM 1262 NZ LYS A 75 -2.763 20.377 -5.860 1.00 40.02 N ATOM 0 H LYS A 75 -2.543 26.055 -8.191 1.00 63.55 H new ATOM 0 HA LYS A 75 -2.817 26.678 -5.374 1.00 54.04 H new ATOM 0 HB2 LYS A 75 -1.480 24.407 -6.897 1.00 54.54 H new ATOM 0 HB3 LYS A 75 -1.605 24.483 -5.151 1.00 54.54 H new ATOM 0 HG2 LYS A 75 -3.935 24.163 -5.166 1.00 23.11 H new ATOM 0 HG3 LYS A 75 -4.101 24.683 -6.831 1.00 23.11 H new ATOM 0 HD2 LYS A 75 -4.366 22.262 -6.714 1.00 45.40 H new ATOM 0 HD3 LYS A 75 -2.898 22.641 -7.592 1.00 45.40 H new ATOM 0 HE2 LYS A 75 -1.503 22.074 -5.727 1.00 11.33 H new ATOM 0 HE3 LYS A 75 -2.853 22.084 -4.610 1.00 11.33 H new ATOM 0 HZ1 LYS A 75 -2.199 19.836 -5.174 1.00 40.02 H new ATOM 0 HZ2 LYS A 75 -3.769 20.143 -5.742 1.00 40.02 H new ATOM 0 HZ3 LYS A 75 -2.461 20.133 -6.825 1.00 40.02 H new ATOM 1276 N GLY A 76 -0.085 27.292 -6.972 1.00 44.13 N ATOM 1277 CA GLY A 76 1.246 27.858 -6.846 1.00 35.44 C ATOM 1278 C GLY A 76 2.317 26.795 -6.697 1.00 30.23 C ATOM 1279 O GLY A 76 3.445 27.092 -6.307 1.00 22.45 O ATOM 0 H GLY A 76 -0.440 27.239 -7.927 1.00 44.13 H new ATOM 0 HA2 GLY A 76 1.463 28.467 -7.723 1.00 35.44 H new ATOM 0 HA3 GLY A 76 1.275 28.522 -5.982 1.00 35.44 H new ATOM 1283 N ALA A 77 1.961 25.553 -7.008 1.00 65.15 N ATOM 1284 CA ALA A 77 2.900 24.443 -6.907 1.00 44.31 C ATOM 1285 C ALA A 77 4.085 24.638 -7.845 1.00 42.52 C ATOM 1286 O ALA A 77 4.089 25.545 -8.679 1.00 22.22 O ATOM 1287 CB ALA A 77 2.197 23.128 -7.208 1.00 73.41 C ATOM 0 H ALA A 77 1.030 25.291 -7.332 1.00 65.15 H new ATOM 0 HA ALA A 77 3.280 24.414 -5.886 1.00 44.31 H new ATOM 0 HB1 ALA A 77 2.910 22.308 -7.129 1.00 73.41 H new ATOM 0 HB2 ALA A 77 1.388 22.976 -6.493 1.00 73.41 H new ATOM 0 HB3 ALA A 77 1.788 23.157 -8.218 1.00 73.41 H new ATOM 1293 N THR A 78 5.094 23.784 -7.705 1.00 32.31 N ATOM 1294 CA THR A 78 6.287 23.864 -8.539 1.00 34.42 C ATOM 1295 C THR A 78 6.392 22.658 -9.465 1.00 40.01 C ATOM 1296 O THR A 78 5.608 21.713 -9.363 1.00 52.33 O ATOM 1297 CB THR A 78 7.565 23.955 -7.684 1.00 62.32 C ATOM 1298 OG1 THR A 78 7.779 22.720 -6.991 1.00 14.10 O ATOM 1299 CG2 THR A 78 7.466 25.094 -6.682 1.00 13.43 C ATOM 0 H THR A 78 5.109 23.028 -7.021 1.00 32.31 H new ATOM 0 HA THR A 78 6.195 24.770 -9.137 1.00 34.42 H new ATOM 0 HB THR A 78 8.407 24.149 -8.348 1.00 62.32 H new ATOM 0 HG1 THR A 78 8.594 22.785 -6.451 1.00 14.10 H new ATOM 0 HG21 THR A 78 8.380 25.138 -6.090 1.00 13.43 H new ATOM 0 HG22 THR A 78 7.332 26.036 -7.214 1.00 13.43 H new ATOM 0 HG23 THR A 78 6.614 24.926 -6.023 1.00 13.43 H new ATOM 1307 N VAL A 79 7.367 22.694 -10.368 1.00 73.03 N ATOM 1308 CA VAL A 79 7.576 21.603 -11.311 1.00 74.53 C ATOM 1309 C VAL A 79 7.687 20.265 -10.588 1.00 71.13 C ATOM 1310 O VAL A 79 7.303 19.224 -11.123 1.00 2.54 O ATOM 1311 CB VAL A 79 8.846 21.826 -12.155 1.00 64.13 C ATOM 1312 CG1 VAL A 79 8.973 20.750 -13.222 1.00 62.32 C ATOM 1313 CG2 VAL A 79 8.833 23.211 -12.781 1.00 34.22 C ATOM 0 H VAL A 79 8.025 23.468 -10.466 1.00 73.03 H new ATOM 0 HA VAL A 79 6.709 21.585 -11.971 1.00 74.53 H new ATOM 0 HB VAL A 79 9.714 21.758 -11.499 1.00 64.13 H new ATOM 0 HG11 VAL A 79 9.875 20.924 -13.808 1.00 62.32 H new ATOM 0 HG12 VAL A 79 9.032 19.771 -12.746 1.00 62.32 H new ATOM 0 HG13 VAL A 79 8.103 20.783 -13.877 1.00 62.32 H new ATOM 0 HG21 VAL A 79 9.737 23.351 -13.373 1.00 34.22 H new ATOM 0 HG22 VAL A 79 7.959 23.311 -13.424 1.00 34.22 H new ATOM 0 HG23 VAL A 79 8.794 23.965 -11.995 1.00 34.22 H new ATOM 1323 N TYR A 80 8.215 20.300 -9.370 1.00 55.44 N ATOM 1324 CA TYR A 80 8.379 19.090 -8.573 1.00 50.04 C ATOM 1325 C TYR A 80 7.028 18.555 -8.110 1.00 14.25 C ATOM 1326 O TYR A 80 6.825 17.345 -8.022 1.00 1.33 O ATOM 1327 CB TYR A 80 9.272 19.369 -7.362 1.00 20.50 C ATOM 1328 CG TYR A 80 9.534 18.148 -6.509 1.00 63.22 C ATOM 1329 CD1 TYR A 80 10.074 16.993 -7.062 1.00 73.03 C ATOM 1330 CD2 TYR A 80 9.240 18.149 -5.151 1.00 52.05 C ATOM 1331 CE1 TYR A 80 10.314 15.876 -6.287 1.00 65.11 C ATOM 1332 CE2 TYR A 80 9.478 17.036 -4.368 1.00 51.13 C ATOM 1333 CZ TYR A 80 10.015 15.902 -4.941 1.00 43.45 C ATOM 1334 OH TYR A 80 10.253 14.791 -4.164 1.00 61.55 O ATOM 0 H TYR A 80 8.537 21.153 -8.913 1.00 55.44 H new ATOM 0 HA TYR A 80 8.853 18.334 -9.200 1.00 50.04 H new ATOM 0 HB2 TYR A 80 10.224 19.771 -7.708 1.00 20.50 H new ATOM 0 HB3 TYR A 80 8.806 20.138 -6.747 1.00 20.50 H new ATOM 0 HD1 TYR A 80 10.310 16.969 -8.116 1.00 73.03 H new ATOM 0 HD2 TYR A 80 8.818 19.035 -4.700 1.00 52.05 H new ATOM 0 HE1 TYR A 80 10.734 14.986 -6.733 1.00 65.11 H new ATOM 0 HE2 TYR A 80 9.245 17.054 -3.314 1.00 51.13 H new ATOM 0 HH TYR A 80 9.988 14.976 -3.239 1.00 61.55 H new ATOM 1344 N GLU A 81 6.106 19.468 -7.817 1.00 44.13 N ATOM 1345 CA GLU A 81 4.774 19.088 -7.363 1.00 14.42 C ATOM 1346 C GLU A 81 4.031 18.312 -8.447 1.00 12.32 C ATOM 1347 O GLU A 81 3.607 17.176 -8.232 1.00 14.34 O ATOM 1348 CB GLU A 81 3.973 20.330 -6.968 1.00 32.11 C ATOM 1349 CG GLU A 81 4.351 20.893 -5.609 1.00 44.13 C ATOM 1350 CD GLU A 81 3.594 20.232 -4.473 1.00 2.55 C ATOM 1351 OE1 GLU A 81 2.397 20.542 -4.300 1.00 23.03 O ATOM 1352 OE2 GLU A 81 4.198 19.407 -3.756 1.00 53.51 O ATOM 0 H GLU A 81 6.258 20.474 -7.886 1.00 44.13 H new ATOM 0 HA GLU A 81 4.884 18.444 -6.491 1.00 14.42 H new ATOM 0 HB2 GLU A 81 4.119 21.101 -7.724 1.00 32.11 H new ATOM 0 HB3 GLU A 81 2.912 20.082 -6.966 1.00 32.11 H new ATOM 0 HG2 GLU A 81 5.422 20.763 -5.451 1.00 44.13 H new ATOM 0 HG3 GLU A 81 4.154 21.965 -5.596 1.00 44.13 H new ATOM 1359 N ILE A 82 3.876 18.934 -9.610 1.00 55.40 N ATOM 1360 CA ILE A 82 3.185 18.304 -10.727 1.00 34.22 C ATOM 1361 C ILE A 82 3.795 16.945 -11.055 1.00 71.03 C ATOM 1362 O ILE A 82 3.094 16.023 -11.470 1.00 42.01 O ATOM 1363 CB ILE A 82 3.225 19.189 -11.987 1.00 32.23 C ATOM 1364 CG1 ILE A 82 4.657 19.645 -12.271 1.00 70.44 C ATOM 1365 CG2 ILE A 82 2.305 20.390 -11.820 1.00 24.21 C ATOM 1366 CD1 ILE A 82 4.798 20.428 -13.557 1.00 55.02 C ATOM 0 H ILE A 82 4.220 19.875 -9.803 1.00 55.40 H new ATOM 0 HA ILE A 82 2.148 18.170 -10.420 1.00 34.22 H new ATOM 0 HB ILE A 82 2.875 18.602 -12.836 1.00 32.23 H new ATOM 0 HG12 ILE A 82 5.005 20.260 -11.441 1.00 70.44 H new ATOM 0 HG13 ILE A 82 5.306 18.771 -12.315 1.00 70.44 H new ATOM 0 HG21 ILE A 82 2.344 21.006 -12.718 1.00 24.21 H new ATOM 0 HG22 ILE A 82 1.283 20.046 -11.660 1.00 24.21 H new ATOM 0 HG23 ILE A 82 2.628 20.979 -10.962 1.00 24.21 H new ATOM 0 HD11 ILE A 82 5.840 20.719 -13.694 1.00 55.02 H new ATOM 0 HD12 ILE A 82 4.481 19.809 -14.396 1.00 55.02 H new ATOM 0 HD13 ILE A 82 4.175 21.321 -13.509 1.00 55.02 H new ATOM 1378 N ALA A 83 5.105 16.829 -10.863 1.00 14.21 N ATOM 1379 CA ALA A 83 5.810 15.583 -11.135 1.00 33.25 C ATOM 1380 C ALA A 83 5.283 14.453 -10.258 1.00 25.34 C ATOM 1381 O ALA A 83 4.963 13.370 -10.749 1.00 45.12 O ATOM 1382 CB ALA A 83 7.305 15.764 -10.923 1.00 14.54 C ATOM 0 H ALA A 83 5.699 17.584 -10.520 1.00 14.21 H new ATOM 0 HA ALA A 83 5.633 15.314 -12.176 1.00 33.25 H new ATOM 0 HB1 ALA A 83 7.818 14.825 -11.130 1.00 14.54 H new ATOM 0 HB2 ALA A 83 7.677 16.537 -11.596 1.00 14.54 H new ATOM 0 HB3 ALA A 83 7.493 16.060 -9.891 1.00 14.54 H new ATOM 1388 N ARG A 84 5.195 14.711 -8.956 1.00 71.15 N ATOM 1389 CA ARG A 84 4.708 13.714 -8.011 1.00 63.15 C ATOM 1390 C ARG A 84 3.200 13.529 -8.144 1.00 72.13 C ATOM 1391 O ARG A 84 2.702 12.403 -8.153 1.00 13.41 O ATOM 1392 CB ARG A 84 5.058 14.124 -6.580 1.00 1.50 C ATOM 1393 CG ARG A 84 6.156 13.278 -5.954 1.00 12.53 C ATOM 1394 CD ARG A 84 6.750 13.955 -4.728 1.00 53.33 C ATOM 1395 NE ARG A 84 6.566 13.156 -3.520 1.00 44.35 N ATOM 1396 CZ ARG A 84 7.193 12.006 -3.297 1.00 52.21 C ATOM 1397 NH1 ARG A 84 8.039 11.523 -4.197 1.00 52.32 N ATOM 1398 NH2 ARG A 84 6.974 11.337 -2.173 1.00 65.34 N ATOM 0 H ARG A 84 5.455 15.602 -8.533 1.00 71.15 H new ATOM 0 HA ARG A 84 5.194 12.766 -8.240 1.00 63.15 H new ATOM 0 HB2 ARG A 84 5.369 15.169 -6.576 1.00 1.50 H new ATOM 0 HB3 ARG A 84 4.162 14.056 -5.962 1.00 1.50 H new ATOM 0 HG2 ARG A 84 5.752 12.305 -5.674 1.00 12.53 H new ATOM 0 HG3 ARG A 84 6.941 13.098 -6.688 1.00 12.53 H new ATOM 0 HD2 ARG A 84 7.814 14.129 -4.889 1.00 53.33 H new ATOM 0 HD3 ARG A 84 6.285 14.931 -4.592 1.00 53.33 H new ATOM 0 HE ARG A 84 5.921 13.499 -2.808 1.00 44.35 H new ATOM 0 HH11 ARG A 84 8.210 12.035 -5.063 1.00 52.32 H new ATOM 0 HH12 ARG A 84 8.519 10.640 -4.023 1.00 52.32 H new ATOM 0 HH21 ARG A 84 6.324 11.705 -1.479 1.00 65.34 H new ATOM 0 HH22 ARG A 84 7.456 10.454 -2.003 1.00 65.34 H new ATOM 1412 N GLN A 85 2.479 14.641 -8.246 1.00 45.35 N ATOM 1413 CA GLN A 85 1.028 14.600 -8.378 1.00 25.13 C ATOM 1414 C GLN A 85 0.611 13.710 -9.543 1.00 53.24 C ATOM 1415 O GLN A 85 -0.158 12.764 -9.372 1.00 73.44 O ATOM 1416 CB GLN A 85 0.472 16.012 -8.574 1.00 63.14 C ATOM 1417 CG GLN A 85 -1.046 16.078 -8.543 1.00 4.52 C ATOM 1418 CD GLN A 85 -1.563 17.471 -8.244 1.00 5.42 C ATOM 1419 OE1 GLN A 85 -2.263 17.687 -7.254 1.00 41.52 O ATOM 1420 NE2 GLN A 85 -1.220 18.427 -9.099 1.00 42.03 N ATOM 0 H GLN A 85 2.876 15.581 -8.240 1.00 45.35 H new ATOM 0 HA GLN A 85 0.617 14.180 -7.460 1.00 25.13 H new ATOM 0 HB2 GLN A 85 0.872 16.662 -7.796 1.00 63.14 H new ATOM 0 HB3 GLN A 85 0.825 16.403 -9.528 1.00 63.14 H new ATOM 0 HG2 GLN A 85 -1.440 15.747 -9.504 1.00 4.52 H new ATOM 0 HG3 GLN A 85 -1.421 15.386 -7.789 1.00 4.52 H new ATOM 0 HE21 GLN A 85 -0.638 18.204 -9.907 1.00 42.03 H new ATOM 0 HE22 GLN A 85 -1.538 19.384 -8.948 1.00 42.03 H new ATOM 1429 N LEU A 86 1.123 14.020 -10.730 1.00 21.21 N ATOM 1430 CA LEU A 86 0.805 13.248 -11.926 1.00 11.55 C ATOM 1431 C LEU A 86 1.608 11.953 -11.969 1.00 45.54 C ATOM 1432 O LEU A 86 1.263 11.020 -12.692 1.00 42.15 O ATOM 1433 CB LEU A 86 1.083 14.077 -13.181 1.00 45.43 C ATOM 1434 CG LEU A 86 -0.077 14.931 -13.694 1.00 4.22 C ATOM 1435 CD1 LEU A 86 -1.244 14.049 -14.112 1.00 3.14 C ATOM 1436 CD2 LEU A 86 -0.514 15.930 -12.631 1.00 72.45 C ATOM 0 H LEU A 86 1.760 14.801 -10.889 1.00 21.21 H new ATOM 0 HA LEU A 86 -0.255 12.994 -11.893 1.00 11.55 H new ATOM 0 HB2 LEU A 86 1.929 14.734 -12.978 1.00 45.43 H new ATOM 0 HB3 LEU A 86 1.389 13.400 -13.978 1.00 45.43 H new ATOM 0 HG LEU A 86 0.263 15.486 -14.568 1.00 4.22 H new ATOM 0 HD11 LEU A 86 -2.061 14.674 -14.474 1.00 3.14 H new ATOM 0 HD12 LEU A 86 -0.924 13.374 -14.906 1.00 3.14 H new ATOM 0 HD13 LEU A 86 -1.585 13.467 -13.256 1.00 3.14 H new ATOM 0 HD21 LEU A 86 -1.340 16.530 -13.013 1.00 72.45 H new ATOM 0 HD22 LEU A 86 -0.837 15.394 -11.739 1.00 72.45 H new ATOM 0 HD23 LEU A 86 0.322 16.583 -12.380 1.00 72.45 H new ATOM 1448 N GLY A 87 2.683 11.902 -11.187 1.00 2.44 N ATOM 1449 CA GLY A 87 3.518 10.717 -11.148 1.00 40.15 C ATOM 1450 C GLY A 87 4.244 10.476 -12.457 1.00 13.32 C ATOM 1451 O GLY A 87 4.294 9.350 -12.949 1.00 74.34 O ATOM 0 H GLY A 87 2.990 12.662 -10.580 1.00 2.44 H new ATOM 0 HA2 GLY A 87 4.248 10.817 -10.344 1.00 40.15 H new ATOM 0 HA3 GLY A 87 2.901 9.849 -10.913 1.00 40.15 H new ATOM 1455 N ARG A 88 4.807 11.539 -13.023 1.00 53.42 N ATOM 1456 CA ARG A 88 5.532 11.440 -14.283 1.00 72.34 C ATOM 1457 C ARG A 88 7.015 11.739 -14.085 1.00 3.03 C ATOM 1458 O ARG A 88 7.415 12.413 -13.135 1.00 63.41 O ATOM 1459 CB ARG A 88 4.940 12.404 -15.314 1.00 70.14 C ATOM 1460 CG ARG A 88 3.587 11.968 -15.849 1.00 30.24 C ATOM 1461 CD ARG A 88 3.672 10.625 -16.555 1.00 72.24 C ATOM 1462 NE ARG A 88 2.425 10.284 -17.236 1.00 40.33 N ATOM 1463 CZ ARG A 88 2.206 9.113 -17.825 1.00 54.11 C ATOM 1464 NH1 ARG A 88 3.145 8.178 -17.818 1.00 72.34 N ATOM 1465 NH2 ARG A 88 1.046 8.877 -18.424 1.00 15.13 N ATOM 0 H ARG A 88 4.775 12.479 -12.628 1.00 53.42 H new ATOM 0 HA ARG A 88 5.432 10.418 -14.650 1.00 72.34 H new ATOM 0 HB2 ARG A 88 4.841 13.391 -14.861 1.00 70.14 H new ATOM 0 HB3 ARG A 88 5.636 12.504 -16.147 1.00 70.14 H new ATOM 0 HG2 ARG A 88 2.874 11.903 -15.027 1.00 30.24 H new ATOM 0 HG3 ARG A 88 3.209 12.720 -16.541 1.00 30.24 H new ATOM 0 HD2 ARG A 88 4.486 10.647 -17.279 1.00 72.24 H new ATOM 0 HD3 ARG A 88 3.913 9.848 -15.829 1.00 72.24 H new ATOM 0 HE ARG A 88 1.682 10.983 -17.261 1.00 40.33 H new ATOM 0 HH11 ARG A 88 4.039 8.356 -17.360 1.00 72.34 H new ATOM 0 HH12 ARG A 88 2.974 7.280 -18.271 1.00 72.34 H new ATOM 0 HH21 ARG A 88 0.321 9.595 -18.433 1.00 15.13 H new ATOM 0 HH22 ARG A 88 0.879 7.978 -18.876 1.00 15.13 H new ATOM 1479 N PRO A 89 7.851 11.226 -15.000 1.00 2.02 N ATOM 1480 CA PRO A 89 9.302 11.424 -14.945 1.00 54.43 C ATOM 1481 C PRO A 89 9.701 12.865 -15.245 1.00 54.40 C ATOM 1482 O PRO A 89 8.883 13.664 -15.700 1.00 62.55 O ATOM 1483 CB PRO A 89 9.830 10.486 -16.034 1.00 14.24 C ATOM 1484 CG PRO A 89 8.695 10.337 -16.987 1.00 74.10 C ATOM 1485 CD PRO A 89 7.443 10.413 -16.158 1.00 2.42 C ATOM 0 HA PRO A 89 9.704 11.217 -13.953 1.00 54.43 H new ATOM 0 HB2 PRO A 89 10.708 10.905 -16.526 1.00 14.24 H new ATOM 0 HB3 PRO A 89 10.127 9.523 -15.618 1.00 14.24 H new ATOM 0 HG2 PRO A 89 8.712 11.125 -17.740 1.00 74.10 H new ATOM 0 HG3 PRO A 89 8.754 9.387 -17.518 1.00 74.10 H new ATOM 0 HD2 PRO A 89 6.625 10.878 -16.707 1.00 2.42 H new ATOM 0 HD3 PRO A 89 7.101 9.424 -15.854 1.00 2.42 H new ATOM 1493 N GLU A 90 10.964 13.191 -14.987 1.00 44.23 N ATOM 1494 CA GLU A 90 11.471 14.536 -15.229 1.00 34.35 C ATOM 1495 C GLU A 90 11.424 14.876 -16.717 1.00 24.21 C ATOM 1496 O GLU A 90 11.349 16.044 -17.095 1.00 14.40 O ATOM 1497 CB GLU A 90 12.904 14.667 -14.711 1.00 5.52 C ATOM 1498 CG GLU A 90 13.045 15.639 -13.551 1.00 43.23 C ATOM 1499 CD GLU A 90 14.469 16.129 -13.371 1.00 12.34 C ATOM 1500 OE1 GLU A 90 15.359 15.289 -13.127 1.00 21.14 O ATOM 1501 OE2 GLU A 90 14.692 17.354 -13.473 1.00 45.24 O ATOM 0 H GLU A 90 11.654 12.542 -14.610 1.00 44.23 H new ATOM 0 HA GLU A 90 10.833 15.238 -14.692 1.00 34.35 H new ATOM 0 HB2 GLU A 90 13.259 13.685 -14.397 1.00 5.52 H new ATOM 0 HB3 GLU A 90 13.548 14.993 -15.528 1.00 5.52 H new ATOM 0 HG2 GLU A 90 12.389 16.493 -13.716 1.00 43.23 H new ATOM 0 HG3 GLU A 90 12.713 15.154 -12.633 1.00 43.23 H new ATOM 1508 N SER A 91 11.470 13.845 -17.554 1.00 30.31 N ATOM 1509 CA SER A 91 11.438 14.032 -18.999 1.00 34.23 C ATOM 1510 C SER A 91 10.050 14.472 -19.459 1.00 54.23 C ATOM 1511 O SER A 91 9.909 15.431 -20.220 1.00 62.33 O ATOM 1512 CB SER A 91 11.837 12.739 -19.712 1.00 13.21 C ATOM 1513 OG SER A 91 12.346 11.788 -18.795 1.00 24.22 O ATOM 0 H SER A 91 11.530 12.871 -17.256 1.00 30.31 H new ATOM 0 HA SER A 91 12.153 14.814 -19.255 1.00 34.23 H new ATOM 0 HB2 SER A 91 10.972 12.323 -20.229 1.00 13.21 H new ATOM 0 HB3 SER A 91 12.589 12.956 -20.471 1.00 13.21 H new ATOM 0 HG SER A 91 12.592 10.970 -19.275 1.00 24.22 H new ATOM 1519 N THR A 92 9.027 13.764 -18.992 1.00 3.13 N ATOM 1520 CA THR A 92 7.651 14.079 -19.355 1.00 22.02 C ATOM 1521 C THR A 92 7.320 15.534 -19.046 1.00 72.32 C ATOM 1522 O THR A 92 6.815 16.260 -19.903 1.00 13.35 O ATOM 1523 CB THR A 92 6.652 13.169 -18.614 1.00 61.21 C ATOM 1524 OG1 THR A 92 6.895 11.799 -18.951 1.00 70.00 O ATOM 1525 CG2 THR A 92 5.219 13.539 -18.967 1.00 64.41 C ATOM 0 H THR A 92 9.125 12.968 -18.361 1.00 3.13 H new ATOM 0 HA THR A 92 7.561 13.908 -20.428 1.00 22.02 H new ATOM 0 HB THR A 92 6.792 13.308 -17.542 1.00 61.21 H new ATOM 0 HG1 THR A 92 6.055 11.296 -18.903 1.00 70.00 H new ATOM 0 HG21 THR A 92 4.532 12.883 -18.432 1.00 64.41 H new ATOM 0 HG22 THR A 92 5.030 14.574 -18.682 1.00 64.41 H new ATOM 0 HG23 THR A 92 5.068 13.425 -20.040 1.00 64.41 H new ATOM 1533 N ILE A 93 7.609 15.954 -17.820 1.00 2.45 N ATOM 1534 CA ILE A 93 7.344 17.325 -17.399 1.00 12.35 C ATOM 1535 C ILE A 93 8.149 18.319 -18.228 1.00 15.14 C ATOM 1536 O ILE A 93 7.606 19.297 -18.744 1.00 31.13 O ATOM 1537 CB ILE A 93 7.672 17.531 -15.909 1.00 44.41 C ATOM 1538 CG1 ILE A 93 6.849 16.573 -15.046 1.00 1.31 C ATOM 1539 CG2 ILE A 93 7.412 18.974 -15.504 1.00 61.10 C ATOM 1540 CD1 ILE A 93 5.359 16.824 -15.116 1.00 52.11 C ATOM 0 H ILE A 93 8.027 15.365 -17.100 1.00 2.45 H new ATOM 0 HA ILE A 93 6.280 17.503 -17.555 1.00 12.35 H new ATOM 0 HB ILE A 93 8.729 17.315 -15.752 1.00 44.41 H new ATOM 0 HG12 ILE A 93 7.052 15.549 -15.360 1.00 1.31 H new ATOM 0 HG13 ILE A 93 7.175 16.659 -14.010 1.00 1.31 H new ATOM 0 HG21 ILE A 93 7.649 19.104 -14.448 1.00 61.10 H new ATOM 0 HG22 ILE A 93 8.038 19.638 -16.100 1.00 61.10 H new ATOM 0 HG23 ILE A 93 6.363 19.216 -15.673 1.00 61.10 H new ATOM 0 HD11 ILE A 93 4.839 16.108 -14.480 1.00 52.11 H new ATOM 0 HD12 ILE A 93 5.144 17.836 -14.774 1.00 52.11 H new ATOM 0 HD13 ILE A 93 5.019 16.709 -16.145 1.00 52.11 H new ATOM 1552 N TYR A 94 9.446 18.063 -18.353 1.00 52.31 N ATOM 1553 CA TYR A 94 10.327 18.937 -19.119 1.00 44.20 C ATOM 1554 C TYR A 94 9.841 19.075 -20.558 1.00 72.11 C ATOM 1555 O TYR A 94 9.896 20.157 -21.142 1.00 72.31 O ATOM 1556 CB TYR A 94 11.758 18.394 -19.102 1.00 71.11 C ATOM 1557 CG TYR A 94 12.608 18.962 -17.988 1.00 12.54 C ATOM 1558 CD1 TYR A 94 12.119 19.049 -16.689 1.00 75.03 C ATOM 1559 CD2 TYR A 94 13.900 19.410 -18.233 1.00 13.45 C ATOM 1560 CE1 TYR A 94 12.892 19.568 -15.669 1.00 54.31 C ATOM 1561 CE2 TYR A 94 14.681 19.929 -17.218 1.00 2.34 C ATOM 1562 CZ TYR A 94 14.172 20.006 -15.938 1.00 14.35 C ATOM 1563 OH TYR A 94 14.945 20.523 -14.924 1.00 13.31 O ATOM 0 H TYR A 94 9.911 17.258 -17.934 1.00 52.31 H new ATOM 0 HA TYR A 94 10.313 19.923 -18.654 1.00 44.20 H new ATOM 0 HB2 TYR A 94 11.725 17.309 -19.005 1.00 71.11 H new ATOM 0 HB3 TYR A 94 12.233 18.614 -20.058 1.00 71.11 H new ATOM 0 HD1 TYR A 94 11.118 18.705 -16.474 1.00 75.03 H new ATOM 0 HD2 TYR A 94 14.301 19.352 -19.234 1.00 13.45 H new ATOM 0 HE1 TYR A 94 12.496 19.631 -14.666 1.00 54.31 H new ATOM 0 HE2 TYR A 94 15.684 20.272 -17.425 1.00 2.34 H new ATOM 0 HH TYR A 94 15.820 20.784 -15.280 1.00 13.31 H new