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 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+ 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 28 SER OG : rot 89:sc= 1.24 USER MOD Single : A 29 ASN : amide:sc= 0.0638 X(o=0.064,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -168:sc= 0 (180deg=-0.208) 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+ -151:sc= -0.0979 (180deg=-0.493) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 16:sc= 0.55 USER MOD Single : A 68 THR OG1 : rot 69:sc= 1.29 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 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -120:sc=-0.00329 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.968 4.093 -3.696 1.00 41.30 N ATOM 178 CA LYS A 13 -1.156 4.480 -5.089 1.00 2.14 C ATOM 179 C LYS A 13 -1.309 3.251 -5.979 1.00 21.44 C ATOM 180 O LYS A 13 -2.008 3.288 -6.992 1.00 52.04 O ATOM 181 CB LYS A 13 0.026 5.326 -5.568 1.00 73.30 C ATOM 182 CG LYS A 13 -0.247 6.820 -5.542 1.00 71.23 C ATOM 183 CD LYS A 13 1.041 7.619 -5.429 1.00 41.22 C ATOM 184 CE LYS A 13 0.973 8.904 -6.241 1.00 72.52 C ATOM 185 NZ LYS A 13 2.238 9.684 -6.154 1.00 25.12 N ATOM 0 HA LYS A 13 -2.069 5.071 -5.156 1.00 2.14 H new ATOM 0 HB2 LYS A 13 0.893 5.112 -4.942 1.00 73.30 H new ATOM 0 HB3 LYS A 13 0.286 5.030 -6.584 1.00 73.30 H new ATOM 0 HG2 LYS A 13 -0.778 7.110 -6.449 1.00 71.23 H new ATOM 0 HG3 LYS A 13 -0.899 7.057 -4.701 1.00 71.23 H new ATOM 0 HD2 LYS A 13 1.231 7.858 -4.383 1.00 41.22 H new ATOM 0 HD3 LYS A 13 1.878 7.013 -5.775 1.00 41.22 H new ATOM 0 HE2 LYS A 13 0.766 8.664 -7.284 1.00 72.52 H new ATOM 0 HE3 LYS A 13 0.144 9.515 -5.884 1.00 72.52 H new ATOM 0 HZ1 LYS A 13 2.151 10.552 -6.721 1.00 25.12 H new ATOM 0 HZ2 LYS A 13 2.423 9.936 -5.162 1.00 25.12 H new ATOM 0 HZ3 LYS A 13 3.025 9.110 -6.518 1.00 25.12 H new ATOM 199 N LEU A 14 -0.653 2.161 -5.593 1.00 74.14 N ATOM 200 CA LEU A 14 -0.718 0.919 -6.356 1.00 42.24 C ATOM 201 C LEU A 14 -2.078 0.250 -6.193 1.00 63.00 C ATOM 202 O LEU A 14 -2.759 -0.044 -7.175 1.00 64.25 O ATOM 203 CB LEU A 14 0.391 -0.035 -5.908 1.00 1.05 C ATOM 204 CG LEU A 14 1.591 -0.158 -6.847 1.00 73.00 C ATOM 205 CD1 LEU A 14 2.135 1.217 -7.201 1.00 74.14 C ATOM 206 CD2 LEU A 14 2.678 -1.016 -6.214 1.00 75.53 C ATOM 0 H LEU A 14 -0.071 2.112 -4.757 1.00 74.14 H new ATOM 0 HA LEU A 14 -0.578 1.160 -7.410 1.00 42.24 H new ATOM 0 HB2 LEU A 14 0.751 0.291 -4.932 1.00 1.05 H new ATOM 0 HB3 LEU A 14 -0.042 -1.026 -5.773 1.00 1.05 H new ATOM 0 HG LEU A 14 1.261 -0.643 -7.765 1.00 73.00 H new ATOM 0 HD11 LEU A 14 2.989 1.109 -7.870 1.00 74.14 H new ATOM 0 HD12 LEU A 14 1.358 1.800 -7.695 1.00 74.14 H new ATOM 0 HD13 LEU A 14 2.449 1.729 -6.292 1.00 74.14 H new ATOM 0 HD21 LEU A 14 3.524 -1.093 -6.896 1.00 75.53 H new ATOM 0 HD22 LEU A 14 3.005 -0.559 -5.280 1.00 75.53 H new ATOM 0 HD23 LEU A 14 2.284 -2.012 -6.012 1.00 75.53 H new ATOM 218 N TYR A 15 -2.469 0.014 -4.945 1.00 15.23 N ATOM 219 CA TYR A 15 -3.749 -0.620 -4.653 1.00 20.42 C ATOM 220 C TYR A 15 -4.906 0.204 -5.210 1.00 74.23 C ATOM 221 O TYR A 15 -5.764 -0.313 -5.925 1.00 35.44 O ATOM 222 CB TYR A 15 -3.919 -0.803 -3.143 1.00 52.44 C ATOM 223 CG TYR A 15 -5.262 -1.375 -2.750 1.00 63.43 C ATOM 224 CD1 TYR A 15 -6.369 -0.553 -2.588 1.00 74.30 C ATOM 225 CD2 TYR A 15 -5.422 -2.739 -2.540 1.00 4.14 C ATOM 226 CE1 TYR A 15 -7.598 -1.072 -2.228 1.00 74.41 C ATOM 227 CE2 TYR A 15 -6.647 -3.268 -2.181 1.00 50.12 C ATOM 228 CZ TYR A 15 -7.732 -2.430 -2.026 1.00 1.35 C ATOM 229 OH TYR A 15 -8.954 -2.951 -1.668 1.00 54.45 O ATOM 0 H TYR A 15 -1.918 0.252 -4.120 1.00 15.23 H new ATOM 0 HA TYR A 15 -3.759 -1.598 -5.135 1.00 20.42 H new ATOM 0 HB2 TYR A 15 -3.132 -1.460 -2.774 1.00 52.44 H new ATOM 0 HB3 TYR A 15 -3.786 0.161 -2.651 1.00 52.44 H new ATOM 0 HD1 TYR A 15 -6.268 0.511 -2.746 1.00 74.30 H new ATOM 0 HD2 TYR A 15 -4.574 -3.397 -2.659 1.00 4.14 H new ATOM 0 HE1 TYR A 15 -8.449 -0.418 -2.105 1.00 74.41 H new ATOM 0 HE2 TYR A 15 -6.754 -4.331 -2.023 1.00 50.12 H new ATOM 0 HH TYR A 15 -8.878 -3.923 -1.566 1.00 54.45 H new ATOM 239 N LYS A 16 -4.922 1.491 -4.878 1.00 24.24 N ATOM 240 CA LYS A 16 -5.970 2.389 -5.345 1.00 31.23 C ATOM 241 C LYS A 16 -5.993 2.453 -6.869 1.00 32.22 C ATOM 242 O LYS A 16 -6.997 2.840 -7.468 1.00 1.45 O ATOM 243 CB LYS A 16 -5.762 3.791 -4.769 1.00 11.13 C ATOM 244 CG LYS A 16 -4.723 4.609 -5.516 1.00 32.12 C ATOM 245 CD LYS A 16 -5.370 5.569 -6.498 1.00 54.05 C ATOM 246 CE LYS A 16 -5.065 7.017 -6.145 1.00 74.21 C ATOM 247 NZ LYS A 16 -4.968 7.876 -7.359 1.00 33.33 N ATOM 0 H LYS A 16 -4.220 1.935 -4.286 1.00 24.24 H new ATOM 0 HA LYS A 16 -6.928 1.999 -5.001 1.00 31.23 H new ATOM 0 HB2 LYS A 16 -6.712 4.325 -4.784 1.00 11.13 H new ATOM 0 HB3 LYS A 16 -5.462 3.704 -3.725 1.00 11.13 H new ATOM 0 HG2 LYS A 16 -4.118 5.169 -4.803 1.00 32.12 H new ATOM 0 HG3 LYS A 16 -4.048 3.941 -6.050 1.00 32.12 H new ATOM 0 HD2 LYS A 16 -5.013 5.356 -7.506 1.00 54.05 H new ATOM 0 HD3 LYS A 16 -6.449 5.414 -6.503 1.00 54.05 H new ATOM 0 HE2 LYS A 16 -5.845 7.403 -5.489 1.00 74.21 H new ATOM 0 HE3 LYS A 16 -4.128 7.066 -5.590 1.00 74.21 H new ATOM 0 HZ1 LYS A 16 -4.759 8.855 -7.076 1.00 33.33 H new ATOM 0 HZ2 LYS A 16 -4.207 7.524 -7.974 1.00 33.33 H new ATOM 0 HZ3 LYS A 16 -5.870 7.850 -7.876 1.00 33.33 H new ATOM 261 N ASP A 17 -4.884 2.068 -7.489 1.00 40.54 N ATOM 262 CA ASP A 17 -4.778 2.078 -8.943 1.00 54.53 C ATOM 263 C ASP A 17 -5.297 0.772 -9.536 1.00 4.44 C ATOM 264 O ASP A 17 -5.747 0.734 -10.681 1.00 5.12 O ATOM 265 CB ASP A 17 -3.326 2.305 -9.369 1.00 13.05 C ATOM 266 CG ASP A 17 -3.106 2.028 -10.843 1.00 64.00 C ATOM 267 OD1 ASP A 17 -2.973 0.841 -11.210 1.00 13.33 O ATOM 268 OD2 ASP A 17 -3.062 2.997 -11.630 1.00 34.13 O ATOM 0 H ASP A 17 -4.045 1.745 -7.007 1.00 40.54 H new ATOM 0 HA ASP A 17 -5.391 2.896 -9.321 1.00 54.53 H new ATOM 0 HB2 ASP A 17 -3.042 3.334 -9.149 1.00 13.05 H new ATOM 0 HB3 ASP A 17 -2.673 1.662 -8.780 1.00 13.05 H new ATOM 273 N GLY A 18 -5.231 -0.296 -8.748 1.00 30.33 N ATOM 274 CA GLY A 18 -5.696 -1.590 -9.212 1.00 31.45 C ATOM 275 C GLY A 18 -4.610 -2.647 -9.170 1.00 15.14 C ATOM 276 O GLY A 18 -4.713 -3.680 -9.830 1.00 52.15 O ATOM 0 H GLY A 18 -4.864 -0.289 -7.796 1.00 30.33 H new ATOM 0 HA2 GLY A 18 -6.536 -1.912 -8.597 1.00 31.45 H new ATOM 0 HA3 GLY A 18 -6.066 -1.495 -10.233 1.00 31.45 H new ATOM 280 N VAL A 19 -3.564 -2.387 -8.391 1.00 52.13 N ATOM 281 CA VAL A 19 -2.454 -3.323 -8.266 1.00 62.14 C ATOM 282 C VAL A 19 -2.737 -4.372 -7.197 1.00 13.13 C ATOM 283 O VAL A 19 -3.183 -4.063 -6.091 1.00 44.33 O ATOM 284 CB VAL A 19 -1.142 -2.595 -7.920 1.00 3.11 C ATOM 285 CG1 VAL A 19 0.008 -3.586 -7.813 1.00 72.04 C ATOM 286 CG2 VAL A 19 -0.839 -1.523 -8.956 1.00 43.43 C ATOM 0 H VAL A 19 -3.463 -1.536 -7.838 1.00 52.13 H new ATOM 0 HA VAL A 19 -2.344 -3.814 -9.233 1.00 62.14 H new ATOM 0 HB VAL A 19 -1.261 -2.109 -6.952 1.00 3.11 H new ATOM 0 HG11 VAL A 19 0.926 -3.053 -7.568 1.00 72.04 H new ATOM 0 HG12 VAL A 19 -0.209 -4.313 -7.030 1.00 72.04 H new ATOM 0 HG13 VAL A 19 0.132 -4.104 -8.764 1.00 72.04 H new ATOM 0 HG21 VAL A 19 0.092 -1.018 -8.696 1.00 43.43 H new ATOM 0 HG22 VAL A 19 -0.739 -1.984 -9.939 1.00 43.43 H new ATOM 0 HG23 VAL A 19 -1.652 -0.797 -8.977 1.00 43.43 H new ATOM 296 N PRO A 20 -2.474 -5.644 -7.531 1.00 60.21 N ATOM 297 CA PRO A 20 -2.691 -6.765 -6.612 1.00 35.41 C ATOM 298 C PRO A 20 -1.704 -6.763 -5.450 1.00 74.31 C ATOM 299 O PRO A 20 -0.561 -6.333 -5.595 1.00 11.42 O ATOM 300 CB PRO A 20 -2.474 -7.996 -7.496 1.00 21.12 C ATOM 301 CG PRO A 20 -1.577 -7.524 -8.587 1.00 51.04 C ATOM 302 CD PRO A 20 -1.942 -6.085 -8.830 1.00 61.43 C ATOM 0 HA PRO A 20 -3.676 -6.725 -6.147 1.00 35.41 H new ATOM 0 HB2 PRO A 20 -2.019 -8.812 -6.934 1.00 21.12 H new ATOM 0 HB3 PRO A 20 -3.418 -8.370 -7.893 1.00 21.12 H new ATOM 0 HG2 PRO A 20 -0.530 -7.618 -8.299 1.00 51.04 H new ATOM 0 HG3 PRO A 20 -1.714 -8.119 -9.490 1.00 51.04 H new ATOM 0 HD2 PRO A 20 -1.075 -5.496 -9.130 1.00 61.43 H new ATOM 0 HD3 PRO A 20 -2.684 -5.987 -9.622 1.00 61.43 H new ATOM 310 N VAL A 21 -2.154 -7.248 -4.297 1.00 2.43 N ATOM 311 CA VAL A 21 -1.310 -7.303 -3.110 1.00 22.43 C ATOM 312 C VAL A 21 0.041 -7.935 -3.425 1.00 42.12 C ATOM 313 O VAL A 21 1.089 -7.416 -3.037 1.00 15.30 O ATOM 314 CB VAL A 21 -1.984 -8.101 -1.977 1.00 51.52 C ATOM 315 CG1 VAL A 21 -1.069 -8.185 -0.765 1.00 32.33 C ATOM 316 CG2 VAL A 21 -3.319 -7.471 -1.606 1.00 20.02 C ATOM 0 H VAL A 21 -3.098 -7.608 -4.160 1.00 2.43 H new ATOM 0 HA VAL A 21 -1.160 -6.275 -2.781 1.00 22.43 H new ATOM 0 HB VAL A 21 -2.171 -9.115 -2.330 1.00 51.52 H new ATOM 0 HG11 VAL A 21 -1.562 -8.752 0.025 1.00 32.33 H new ATOM 0 HG12 VAL A 21 -0.141 -8.683 -1.044 1.00 32.33 H new ATOM 0 HG13 VAL A 21 -0.848 -7.180 -0.406 1.00 32.33 H new ATOM 0 HG21 VAL A 21 -3.783 -8.046 -0.804 1.00 20.02 H new ATOM 0 HG22 VAL A 21 -3.157 -6.447 -1.271 1.00 20.02 H new ATOM 0 HG23 VAL A 21 -3.975 -7.469 -2.477 1.00 20.02 H new ATOM 326 N LYS A 22 0.012 -9.059 -4.133 1.00 61.52 N ATOM 327 CA LYS A 22 1.234 -9.763 -4.504 1.00 4.54 C ATOM 328 C LYS A 22 2.213 -8.823 -5.200 1.00 70.42 C ATOM 329 O LYS A 22 3.420 -8.889 -4.971 1.00 53.00 O ATOM 330 CB LYS A 22 0.908 -10.946 -5.418 1.00 10.12 C ATOM 331 CG LYS A 22 0.264 -10.540 -6.732 1.00 35.41 C ATOM 332 CD LYS A 22 -0.761 -11.565 -7.191 1.00 2.04 C ATOM 333 CE LYS A 22 -0.098 -12.871 -7.602 1.00 2.24 C ATOM 334 NZ LYS A 22 -0.433 -13.245 -9.003 1.00 44.34 N ATOM 0 H LYS A 22 -0.846 -9.502 -4.462 1.00 61.52 H new ATOM 0 HA LYS A 22 1.701 -10.135 -3.592 1.00 4.54 H new ATOM 0 HB2 LYS A 22 1.825 -11.496 -5.627 1.00 10.12 H new ATOM 0 HB3 LYS A 22 0.240 -11.628 -4.891 1.00 10.12 H new ATOM 0 HG2 LYS A 22 -0.217 -9.569 -6.618 1.00 35.41 H new ATOM 0 HG3 LYS A 22 1.033 -10.426 -7.496 1.00 35.41 H new ATOM 0 HD2 LYS A 22 -1.473 -11.754 -6.388 1.00 2.04 H new ATOM 0 HD3 LYS A 22 -1.328 -11.163 -8.031 1.00 2.04 H new ATOM 0 HE2 LYS A 22 0.983 -12.778 -7.500 1.00 2.24 H new ATOM 0 HE3 LYS A 22 -0.414 -13.667 -6.928 1.00 2.24 H new ATOM 0 HZ1 LYS A 22 0.038 -14.140 -9.245 1.00 44.34 H new ATOM 0 HZ2 LYS A 22 -1.463 -13.359 -9.095 1.00 44.34 H new ATOM 0 HZ3 LYS A 22 -0.108 -12.497 -9.649 1.00 44.34 H new ATOM 348 N GLU A 23 1.683 -7.949 -6.051 1.00 2.12 N ATOM 349 CA GLU A 23 2.512 -6.996 -6.780 1.00 41.53 C ATOM 350 C GLU A 23 2.921 -5.833 -5.882 1.00 40.11 C ATOM 351 O GLU A 23 4.078 -5.410 -5.885 1.00 4.13 O ATOM 352 CB GLU A 23 1.763 -6.469 -8.006 1.00 1.23 C ATOM 353 CG GLU A 23 2.522 -5.395 -8.767 1.00 62.53 C ATOM 354 CD GLU A 23 1.986 -5.187 -10.171 1.00 51.44 C ATOM 355 OE1 GLU A 23 1.424 -6.145 -10.741 1.00 11.11 O ATOM 356 OE2 GLU A 23 2.130 -4.064 -10.699 1.00 24.01 O ATOM 0 H GLU A 23 0.685 -7.881 -6.252 1.00 2.12 H new ATOM 0 HA GLU A 23 3.413 -7.514 -7.108 1.00 41.53 H new ATOM 0 HB2 GLU A 23 1.554 -7.301 -8.679 1.00 1.23 H new ATOM 0 HB3 GLU A 23 0.801 -6.067 -7.689 1.00 1.23 H new ATOM 0 HG2 GLU A 23 2.465 -4.456 -8.217 1.00 62.53 H new ATOM 0 HG3 GLU A 23 3.576 -5.669 -8.821 1.00 62.53 H new ATOM 363 N ILE A 24 1.965 -5.320 -5.115 1.00 3.34 N ATOM 364 CA ILE A 24 2.226 -4.206 -4.212 1.00 13.11 C ATOM 365 C ILE A 24 3.391 -4.517 -3.277 1.00 33.22 C ATOM 366 O ILE A 24 4.228 -3.658 -3.006 1.00 41.33 O ATOM 367 CB ILE A 24 0.984 -3.862 -3.369 1.00 41.20 C ATOM 368 CG1 ILE A 24 -0.205 -3.547 -4.278 1.00 73.34 C ATOM 369 CG2 ILE A 24 1.278 -2.688 -2.446 1.00 72.22 C ATOM 370 CD1 ILE A 24 -1.546 -3.844 -3.644 1.00 55.11 C ATOM 0 H ILE A 24 1.003 -5.658 -5.101 1.00 3.34 H new ATOM 0 HA ILE A 24 2.482 -3.349 -4.835 1.00 13.11 H new ATOM 0 HB ILE A 24 0.729 -4.726 -2.755 1.00 41.20 H new ATOM 0 HG12 ILE A 24 -0.170 -2.494 -4.557 1.00 73.34 H new ATOM 0 HG13 ILE A 24 -0.111 -4.124 -5.198 1.00 73.34 H new ATOM 0 HG21 ILE A 24 0.390 -2.457 -1.857 1.00 72.22 H new ATOM 0 HG22 ILE A 24 2.099 -2.947 -1.778 1.00 72.22 H new ATOM 0 HG23 ILE A 24 1.555 -1.818 -3.041 1.00 72.22 H new ATOM 0 HD11 ILE A 24 -2.343 -3.597 -4.345 1.00 55.11 H new ATOM 0 HD12 ILE A 24 -1.602 -4.902 -3.390 1.00 55.11 H new ATOM 0 HD13 ILE A 24 -1.661 -3.247 -2.739 1.00 55.11 H new ATOM 382 N ALA A 25 3.436 -5.753 -2.789 1.00 52.33 N ATOM 383 CA ALA A 25 4.500 -6.178 -1.888 1.00 63.32 C ATOM 384 C ALA A 25 5.857 -6.134 -2.582 1.00 71.31 C ATOM 385 O ALA A 25 6.846 -5.678 -2.007 1.00 55.30 O ATOM 386 CB ALA A 25 4.218 -7.579 -1.364 1.00 21.22 C ATOM 0 H ALA A 25 2.749 -6.476 -3.002 1.00 52.33 H new ATOM 0 HA ALA A 25 4.529 -5.486 -1.047 1.00 63.32 H new ATOM 0 HB1 ALA A 25 5.020 -7.885 -0.692 1.00 21.22 H new ATOM 0 HB2 ALA A 25 3.271 -7.582 -0.824 1.00 21.22 H new ATOM 0 HB3 ALA A 25 4.160 -8.276 -2.200 1.00 21.22 H new ATOM 392 N LYS A 26 5.899 -6.612 -3.821 1.00 23.35 N ATOM 393 CA LYS A 26 7.136 -6.628 -4.595 1.00 14.42 C ATOM 394 C LYS A 26 7.546 -5.213 -4.992 1.00 24.55 C ATOM 395 O LYS A 26 8.731 -4.880 -4.997 1.00 75.04 O ATOM 396 CB LYS A 26 6.968 -7.492 -5.846 1.00 33.03 C ATOM 397 CG LYS A 26 6.665 -8.949 -5.542 1.00 74.40 C ATOM 398 CD LYS A 26 7.723 -9.563 -4.641 1.00 13.53 C ATOM 399 CE LYS A 26 9.102 -9.506 -5.280 1.00 34.24 C ATOM 400 NZ LYS A 26 10.087 -10.350 -4.549 1.00 35.12 N ATOM 0 H LYS A 26 5.090 -6.994 -4.312 1.00 23.35 H new ATOM 0 HA LYS A 26 7.921 -7.054 -3.971 1.00 14.42 H new ATOM 0 HB2 LYS A 26 6.163 -7.082 -6.455 1.00 33.03 H new ATOM 0 HB3 LYS A 26 7.879 -7.436 -6.442 1.00 33.03 H new ATOM 0 HG2 LYS A 26 5.689 -9.026 -5.063 1.00 74.40 H new ATOM 0 HG3 LYS A 26 6.608 -9.512 -6.474 1.00 74.40 H new ATOM 0 HD2 LYS A 26 7.741 -9.035 -3.687 1.00 13.53 H new ATOM 0 HD3 LYS A 26 7.463 -10.600 -4.427 1.00 13.53 H new ATOM 0 HE2 LYS A 26 9.036 -9.839 -6.316 1.00 34.24 H new ATOM 0 HE3 LYS A 26 9.451 -8.474 -5.299 1.00 34.24 H new ATOM 0 HZ1 LYS A 26 11.014 -10.284 -5.015 1.00 35.12 H new ATOM 0 HZ2 LYS A 26 10.169 -10.017 -3.567 1.00 35.12 H new ATOM 0 HZ3 LYS A 26 9.767 -11.339 -4.553 1.00 35.12 H new ATOM 414 N ARG A 27 6.559 -4.386 -5.321 1.00 73.32 N ATOM 415 CA ARG A 27 6.818 -3.008 -5.719 1.00 32.42 C ATOM 416 C ARG A 27 7.291 -2.178 -4.529 1.00 72.52 C ATOM 417 O ARG A 27 8.305 -1.485 -4.607 1.00 71.31 O ATOM 418 CB ARG A 27 5.558 -2.383 -6.322 1.00 60.24 C ATOM 419 CG ARG A 27 5.815 -1.612 -7.606 1.00 64.25 C ATOM 420 CD ARG A 27 5.146 -2.277 -8.799 1.00 15.44 C ATOM 421 NE ARG A 27 5.849 -1.998 -10.048 1.00 0.12 N ATOM 422 CZ ARG A 27 5.874 -0.803 -10.627 1.00 41.01 C ATOM 423 NH1 ARG A 27 5.238 0.219 -10.072 1.00 51.42 N ATOM 424 NH2 ARG A 27 6.537 -0.629 -11.763 1.00 13.45 N ATOM 0 H ARG A 27 5.573 -4.646 -5.320 1.00 73.32 H new ATOM 0 HA ARG A 27 7.607 -3.016 -6.471 1.00 32.42 H new ATOM 0 HB2 ARG A 27 4.831 -3.171 -6.521 1.00 60.24 H new ATOM 0 HB3 ARG A 27 5.109 -1.712 -5.589 1.00 60.24 H new ATOM 0 HG2 ARG A 27 5.443 -0.593 -7.500 1.00 64.25 H new ATOM 0 HG3 ARG A 27 6.889 -1.543 -7.781 1.00 64.25 H new ATOM 0 HD2 ARG A 27 5.107 -3.354 -8.638 1.00 15.44 H new ATOM 0 HD3 ARG A 27 4.116 -1.929 -8.877 1.00 15.44 H new ATOM 0 HE ARG A 27 6.349 -2.763 -10.501 1.00 0.12 H new ATOM 0 HH11 ARG A 27 4.728 0.089 -9.198 1.00 51.42 H new ATOM 0 HH12 ARG A 27 5.259 1.136 -10.519 1.00 51.42 H new ATOM 0 HH21 ARG A 27 7.028 -1.413 -12.192 1.00 13.45 H new ATOM 0 HH22 ARG A 27 6.556 0.289 -12.207 1.00 13.45 H new ATOM 438 N SER A 28 6.548 -2.253 -3.430 1.00 63.51 N ATOM 439 CA SER A 28 6.889 -1.506 -2.224 1.00 54.23 C ATOM 440 C SER A 28 7.959 -2.235 -1.418 1.00 2.51 C ATOM 441 O SER A 28 8.405 -1.750 -0.379 1.00 3.32 O ATOM 442 CB SER A 28 5.642 -1.291 -1.363 1.00 61.45 C ATOM 443 OG SER A 28 4.475 -1.215 -2.164 1.00 64.04 O ATOM 0 H SER A 28 5.706 -2.823 -3.349 1.00 63.51 H new ATOM 0 HA SER A 28 7.285 -0.536 -2.526 1.00 54.23 H new ATOM 0 HB2 SER A 28 5.544 -2.109 -0.649 1.00 61.45 H new ATOM 0 HB3 SER A 28 5.750 -0.374 -0.784 1.00 61.45 H new ATOM 0 HG SER A 28 4.108 -2.114 -2.294 1.00 64.04 H new ATOM 449 N ASN A 29 8.367 -3.402 -1.905 1.00 55.31 N ATOM 450 CA ASN A 29 9.384 -4.199 -1.231 1.00 4.23 C ATOM 451 C ASN A 29 8.977 -4.494 0.210 1.00 50.34 C ATOM 452 O ASN A 29 9.815 -4.510 1.111 1.00 13.05 O ATOM 453 CB ASN A 29 10.730 -3.471 -1.253 1.00 53.13 C ATOM 454 CG ASN A 29 11.904 -4.429 -1.297 1.00 4.34 C ATOM 455 OD1 ASN A 29 12.346 -4.840 -2.369 1.00 55.01 O ATOM 456 ND2 ASN A 29 12.417 -4.789 -0.126 1.00 3.31 N ATOM 0 H ASN A 29 8.008 -3.817 -2.765 1.00 55.31 H new ATOM 0 HA ASN A 29 9.481 -5.145 -1.764 1.00 4.23 H new ATOM 0 HB2 ASN A 29 10.770 -2.812 -2.120 1.00 53.13 H new ATOM 0 HB3 ASN A 29 10.813 -2.839 -0.369 1.00 53.13 H new ATOM 0 HD21 ASN A 29 13.209 -5.431 -0.092 1.00 3.31 H new ATOM 0 HD22 ASN A 29 12.019 -4.424 0.739 1.00 3.31 H new ATOM 463 N ASN A 30 7.686 -4.727 0.419 1.00 73.13 N ATOM 464 CA ASN A 30 7.167 -5.021 1.750 1.00 61.33 C ATOM 465 C ASN A 30 6.585 -6.430 1.807 1.00 74.23 C ATOM 466 O ASN A 30 6.527 -7.130 0.796 1.00 31.43 O ATOM 467 CB ASN A 30 6.097 -3.999 2.141 1.00 63.32 C ATOM 468 CG ASN A 30 6.659 -2.865 2.975 1.00 2.25 C ATOM 469 OD1 ASN A 30 7.549 -3.069 3.801 1.00 4.34 O ATOM 470 ND2 ASN A 30 6.141 -1.661 2.763 1.00 60.33 N ATOM 0 H ASN A 30 6.979 -4.718 -0.316 1.00 73.13 H new ATOM 0 HA ASN A 30 7.994 -4.959 2.457 1.00 61.33 H new ATOM 0 HB2 ASN A 30 5.641 -3.591 1.239 1.00 63.32 H new ATOM 0 HB3 ASN A 30 5.307 -4.500 2.700 1.00 63.32 H new ATOM 0 HD21 ASN A 30 6.480 -0.859 3.295 1.00 60.33 H new ATOM 0 HD22 ASN A 30 5.405 -1.538 2.068 1.00 60.33 H new ATOM 477 N SER A 31 6.154 -6.839 2.996 1.00 62.03 N ATOM 478 CA SER A 31 5.580 -8.165 3.186 1.00 32.13 C ATOM 479 C SER A 31 4.063 -8.129 3.024 1.00 61.43 C ATOM 480 O SER A 31 3.438 -7.079 3.166 1.00 73.10 O ATOM 481 CB SER A 31 5.942 -8.708 4.571 1.00 72.04 C ATOM 482 OG SER A 31 6.014 -10.123 4.561 1.00 10.44 O ATOM 0 H SER A 31 6.192 -6.271 3.842 1.00 62.03 H new ATOM 0 HA SER A 31 5.995 -8.825 2.424 1.00 32.13 H new ATOM 0 HB2 SER A 31 6.899 -8.294 4.888 1.00 72.04 H new ATOM 0 HB3 SER A 31 5.198 -8.384 5.298 1.00 72.04 H new ATOM 0 HG SER A 31 6.248 -10.445 5.456 1.00 10.44 H new ATOM 488 N MET A 32 3.478 -9.284 2.724 1.00 42.04 N ATOM 489 CA MET A 32 2.035 -9.385 2.542 1.00 23.11 C ATOM 490 C MET A 32 1.294 -8.850 3.763 1.00 45.32 C ATOM 491 O MET A 32 0.212 -8.277 3.642 1.00 51.55 O ATOM 492 CB MET A 32 1.632 -10.839 2.284 1.00 41.24 C ATOM 493 CG MET A 32 0.819 -11.028 1.014 1.00 34.10 C ATOM 494 SD MET A 32 -0.297 -12.441 1.109 1.00 73.34 S ATOM 495 CE MET A 32 0.849 -13.751 1.529 1.00 4.32 C ATOM 0 H MET A 32 3.981 -10.163 2.602 1.00 42.04 H new ATOM 0 HA MET A 32 1.760 -8.780 1.678 1.00 23.11 H new ATOM 0 HB2 MET A 32 2.532 -11.452 2.224 1.00 41.24 H new ATOM 0 HB3 MET A 32 1.054 -11.203 3.133 1.00 41.24 H new ATOM 0 HG2 MET A 32 0.240 -10.125 0.820 1.00 34.10 H new ATOM 0 HG3 MET A 32 1.496 -11.160 0.170 1.00 34.10 H new ATOM 0 HE1 MET A 32 0.356 -14.716 1.415 1.00 4.32 H new ATOM 0 HE2 MET A 32 1.713 -13.705 0.866 1.00 4.32 H new ATOM 0 HE3 MET A 32 1.177 -13.631 2.562 1.00 4.32 H new ATOM 505 N SER A 33 1.885 -9.041 4.938 1.00 1.12 N ATOM 506 CA SER A 33 1.278 -8.580 6.182 1.00 62.02 C ATOM 507 C SER A 33 1.503 -7.084 6.375 1.00 52.43 C ATOM 508 O SER A 33 0.774 -6.424 7.116 1.00 51.14 O ATOM 509 CB SER A 33 1.855 -9.351 7.371 1.00 32.25 C ATOM 510 OG SER A 33 3.192 -8.961 7.632 1.00 25.54 O ATOM 0 H SER A 33 2.783 -9.511 5.055 1.00 1.12 H new ATOM 0 HA SER A 33 0.205 -8.764 6.124 1.00 62.02 H new ATOM 0 HB2 SER A 33 1.242 -9.174 8.255 1.00 32.25 H new ATOM 0 HB3 SER A 33 1.818 -10.421 7.167 1.00 32.25 H new ATOM 0 HG SER A 33 3.537 -9.467 8.397 1.00 25.54 H new ATOM 516 N THR A 34 2.519 -6.553 5.701 1.00 44.23 N ATOM 517 CA THR A 34 2.844 -5.135 5.797 1.00 12.45 C ATOM 518 C THR A 34 1.993 -4.311 4.839 1.00 53.14 C ATOM 519 O THR A 34 1.376 -3.321 5.233 1.00 1.52 O ATOM 520 CB THR A 34 4.332 -4.877 5.497 1.00 12.13 C ATOM 521 OG1 THR A 34 5.149 -5.770 6.264 1.00 15.54 O ATOM 522 CG2 THR A 34 4.707 -3.438 5.818 1.00 72.15 C ATOM 0 H THR A 34 3.131 -7.084 5.082 1.00 44.23 H new ATOM 0 HA THR A 34 2.631 -4.831 6.822 1.00 12.45 H new ATOM 0 HB THR A 34 4.501 -5.052 4.435 1.00 12.13 H new ATOM 0 HG1 THR A 34 6.094 -5.601 6.066 1.00 15.54 H new ATOM 0 HG21 THR A 34 5.763 -3.279 5.598 1.00 72.15 H new ATOM 0 HG22 THR A 34 4.105 -2.761 5.212 1.00 72.15 H new ATOM 0 HG23 THR A 34 4.523 -3.241 6.874 1.00 72.15 H new ATOM 530 N VAL A 35 1.962 -4.725 3.576 1.00 20.23 N ATOM 531 CA VAL A 35 1.185 -4.026 2.560 1.00 51.41 C ATOM 532 C VAL A 35 -0.302 -4.038 2.899 1.00 5.22 C ATOM 533 O VAL A 35 -0.935 -2.987 3.000 1.00 31.20 O ATOM 534 CB VAL A 35 1.388 -4.652 1.167 1.00 15.23 C ATOM 535 CG1 VAL A 35 0.275 -4.224 0.222 1.00 24.14 C ATOM 536 CG2 VAL A 35 2.750 -4.273 0.607 1.00 61.33 C ATOM 0 H VAL A 35 2.467 -5.542 3.232 1.00 20.23 H new ATOM 0 HA VAL A 35 1.542 -2.996 2.543 1.00 51.41 H new ATOM 0 HB VAL A 35 1.350 -5.737 1.266 1.00 15.23 H new ATOM 0 HG11 VAL A 35 0.435 -4.676 -0.757 1.00 24.14 H new ATOM 0 HG12 VAL A 35 -0.686 -4.551 0.620 1.00 24.14 H new ATOM 0 HG13 VAL A 35 0.277 -3.138 0.125 1.00 24.14 H new ATOM 0 HG21 VAL A 35 2.877 -4.724 -0.377 1.00 61.33 H new ATOM 0 HG22 VAL A 35 2.819 -3.189 0.521 1.00 61.33 H new ATOM 0 HG23 VAL A 35 3.532 -4.635 1.275 1.00 61.33 H new ATOM 546 N TYR A 36 -0.851 -5.234 3.076 1.00 74.11 N ATOM 547 CA TYR A 36 -2.264 -5.385 3.403 1.00 13.22 C ATOM 548 C TYR A 36 -2.639 -4.527 4.608 1.00 53.21 C ATOM 549 O TYR A 36 -3.703 -3.907 4.638 1.00 62.25 O ATOM 550 CB TYR A 36 -2.591 -6.852 3.686 1.00 53.21 C ATOM 551 CG TYR A 36 -4.057 -7.187 3.532 1.00 73.14 C ATOM 552 CD1 TYR A 36 -4.709 -6.997 2.319 1.00 50.35 C ATOM 553 CD2 TYR A 36 -4.790 -7.693 4.597 1.00 32.15 C ATOM 554 CE1 TYR A 36 -6.049 -7.300 2.174 1.00 52.04 C ATOM 555 CE2 TYR A 36 -6.131 -8.001 4.459 1.00 4.44 C ATOM 556 CZ TYR A 36 -6.755 -7.803 3.246 1.00 51.43 C ATOM 557 OH TYR A 36 -8.090 -8.107 3.106 1.00 60.00 O ATOM 0 H TYR A 36 -0.340 -6.113 2.999 1.00 74.11 H new ATOM 0 HA TYR A 36 -2.847 -5.050 2.545 1.00 13.22 H new ATOM 0 HB2 TYR A 36 -2.010 -7.481 3.011 1.00 53.21 H new ATOM 0 HB3 TYR A 36 -2.276 -7.096 4.700 1.00 53.21 H new ATOM 0 HD1 TYR A 36 -4.159 -6.606 1.476 1.00 50.35 H new ATOM 0 HD2 TYR A 36 -4.305 -7.849 5.549 1.00 32.15 H new ATOM 0 HE1 TYR A 36 -6.541 -7.144 1.225 1.00 52.04 H new ATOM 0 HE2 TYR A 36 -6.687 -8.395 5.297 1.00 4.44 H new ATOM 0 HH TYR A 36 -8.438 -8.452 3.955 1.00 60.00 H new ATOM 567 N LYS A 37 -1.757 -4.495 5.601 1.00 31.53 N ATOM 568 CA LYS A 37 -1.992 -3.714 6.809 1.00 45.42 C ATOM 569 C LYS A 37 -2.131 -2.231 6.479 1.00 70.21 C ATOM 570 O LYS A 37 -2.834 -1.496 7.169 1.00 15.44 O ATOM 571 CB LYS A 37 -0.848 -3.921 7.805 1.00 42.34 C ATOM 572 CG LYS A 37 -1.161 -4.939 8.887 1.00 24.10 C ATOM 573 CD LYS A 37 -1.380 -4.272 10.235 1.00 60.03 C ATOM 574 CE LYS A 37 -2.841 -3.904 10.443 1.00 22.32 C ATOM 575 NZ LYS A 37 -3.589 -4.984 11.142 1.00 35.24 N ATOM 0 H LYS A 37 -0.872 -5.002 5.593 1.00 31.53 H new ATOM 0 HA LYS A 37 -2.924 -4.057 7.259 1.00 45.42 H new ATOM 0 HB2 LYS A 37 0.041 -4.242 7.262 1.00 42.34 H new ATOM 0 HB3 LYS A 37 -0.609 -2.967 8.274 1.00 42.34 H new ATOM 0 HG2 LYS A 37 -2.052 -5.503 8.610 1.00 24.10 H new ATOM 0 HG3 LYS A 37 -0.342 -5.654 8.963 1.00 24.10 H new ATOM 0 HD2 LYS A 37 -1.055 -4.942 11.031 1.00 60.03 H new ATOM 0 HD3 LYS A 37 -0.764 -3.375 10.303 1.00 60.03 H new ATOM 0 HE2 LYS A 37 -2.905 -2.983 11.023 1.00 22.32 H new ATOM 0 HE3 LYS A 37 -3.307 -3.705 9.478 1.00 22.32 H new ATOM 0 HZ1 LYS A 37 -4.581 -4.696 11.265 1.00 35.24 H new ATOM 0 HZ2 LYS A 37 -3.550 -5.856 10.576 1.00 35.24 H new ATOM 0 HZ3 LYS A 37 -3.160 -5.156 12.074 1.00 35.24 H new ATOM 589 N ALA A 38 -1.457 -1.800 5.417 1.00 2.45 N ATOM 590 CA ALA A 38 -1.509 -0.406 4.994 1.00 63.53 C ATOM 591 C ALA A 38 -2.809 -0.104 4.258 1.00 74.40 C ATOM 592 O ALA A 38 -3.446 0.924 4.497 1.00 63.12 O ATOM 593 CB ALA A 38 -0.313 -0.078 4.112 1.00 2.23 C ATOM 0 H ALA A 38 -0.869 -2.396 4.834 1.00 2.45 H new ATOM 0 HA ALA A 38 -1.473 0.220 5.885 1.00 63.53 H new ATOM 0 HB1 ALA A 38 -0.364 0.966 3.803 1.00 2.23 H new ATOM 0 HB2 ALA A 38 0.608 -0.247 4.670 1.00 2.23 H new ATOM 0 HB3 ALA A 38 -0.325 -0.718 3.230 1.00 2.23 H new ATOM 599 N LEU A 39 -3.200 -1.004 3.362 1.00 22.33 N ATOM 600 CA LEU A 39 -4.427 -0.833 2.590 1.00 4.14 C ATOM 601 C LEU A 39 -5.627 -0.637 3.511 1.00 22.44 C ATOM 602 O LEU A 39 -6.410 0.295 3.335 1.00 53.41 O ATOM 603 CB LEU A 39 -4.656 -2.045 1.686 1.00 64.50 C ATOM 604 CG LEU A 39 -3.468 -2.474 0.824 1.00 4.30 C ATOM 605 CD1 LEU A 39 -3.806 -3.730 0.036 1.00 60.44 C ATOM 606 CD2 LEU A 39 -3.055 -1.349 -0.113 1.00 40.24 C ATOM 0 H LEU A 39 -2.686 -1.859 3.152 1.00 22.33 H new ATOM 0 HA LEU A 39 -4.318 0.058 1.972 1.00 4.14 H new ATOM 0 HB2 LEU A 39 -4.949 -2.889 2.311 1.00 64.50 H new ATOM 0 HB3 LEU A 39 -5.497 -1.828 1.028 1.00 64.50 H new ATOM 0 HG LEU A 39 -2.628 -2.698 1.482 1.00 4.30 H new ATOM 0 HD11 LEU A 39 -2.949 -4.020 -0.571 1.00 60.44 H new ATOM 0 HD12 LEU A 39 -4.052 -4.537 0.726 1.00 60.44 H new ATOM 0 HD13 LEU A 39 -4.660 -3.534 -0.612 1.00 60.44 H new ATOM 0 HD21 LEU A 39 -2.208 -1.672 -0.719 1.00 40.24 H new ATOM 0 HD22 LEU A 39 -3.890 -1.093 -0.765 1.00 40.24 H new ATOM 0 HD23 LEU A 39 -2.770 -0.475 0.472 1.00 40.24 H new ATOM 618 N GLU A 40 -5.762 -1.522 4.495 1.00 53.04 N ATOM 619 CA GLU A 40 -6.866 -1.444 5.444 1.00 74.02 C ATOM 620 C GLU A 40 -6.848 -0.114 6.192 1.00 13.14 C ATOM 621 O GLU A 40 -7.893 0.401 6.592 1.00 25.35 O ATOM 622 CB GLU A 40 -6.795 -2.604 6.439 1.00 0.44 C ATOM 623 CG GLU A 40 -5.474 -2.684 7.186 1.00 63.34 C ATOM 624 CD GLU A 40 -5.553 -3.561 8.420 1.00 21.30 C ATOM 625 OE1 GLU A 40 -5.495 -4.801 8.270 1.00 55.40 O ATOM 626 OE2 GLU A 40 -5.673 -3.011 9.534 1.00 54.25 O ATOM 0 H GLU A 40 -5.121 -2.300 4.655 1.00 53.04 H new ATOM 0 HA GLU A 40 -7.799 -1.512 4.884 1.00 74.02 H new ATOM 0 HB2 GLU A 40 -7.606 -2.503 7.161 1.00 0.44 H new ATOM 0 HB3 GLU A 40 -6.958 -3.540 5.905 1.00 0.44 H new ATOM 0 HG2 GLU A 40 -4.706 -3.073 6.517 1.00 63.34 H new ATOM 0 HG3 GLU A 40 -5.165 -1.680 7.478 1.00 63.34 H new ATOM 633 N LYS A 41 -5.654 0.437 6.378 1.00 32.13 N ATOM 634 CA LYS A 41 -5.497 1.707 7.077 1.00 30.05 C ATOM 635 C LYS A 41 -5.838 2.878 6.162 1.00 74.11 C ATOM 636 O LYS A 41 -6.467 3.848 6.586 1.00 10.31 O ATOM 637 CB LYS A 41 -4.064 1.852 7.597 1.00 14.24 C ATOM 638 CG LYS A 41 -3.970 1.899 9.112 1.00 24.24 C ATOM 639 CD LYS A 41 -3.960 0.503 9.714 1.00 50.55 C ATOM 640 CE LYS A 41 -5.309 0.148 10.321 1.00 52.42 C ATOM 641 NZ LYS A 41 -5.650 1.036 11.467 1.00 14.24 N ATOM 0 H LYS A 41 -4.780 0.024 6.054 1.00 32.13 H new ATOM 0 HA LYS A 41 -6.187 1.716 7.921 1.00 30.05 H new ATOM 0 HB2 LYS A 41 -3.467 1.017 7.230 1.00 14.24 H new ATOM 0 HB3 LYS A 41 -3.627 2.762 7.186 1.00 14.24 H new ATOM 0 HG2 LYS A 41 -3.064 2.429 9.405 1.00 24.24 H new ATOM 0 HG3 LYS A 41 -4.813 2.463 9.512 1.00 24.24 H new ATOM 0 HD2 LYS A 41 -3.704 -0.225 8.944 1.00 50.55 H new ATOM 0 HD3 LYS A 41 -3.187 0.442 10.480 1.00 50.55 H new ATOM 0 HE2 LYS A 41 -6.083 0.226 9.558 1.00 52.42 H new ATOM 0 HE3 LYS A 41 -5.295 -0.889 10.656 1.00 52.42 H new ATOM 0 HZ1 LYS A 41 -6.256 0.521 12.137 1.00 14.24 H new ATOM 0 HZ2 LYS A 41 -4.777 1.333 11.948 1.00 14.24 H new ATOM 0 HZ3 LYS A 41 -6.155 1.875 11.118 1.00 14.24 H new ATOM 655 N LEU A 42 -5.423 2.780 4.904 1.00 63.23 N ATOM 656 CA LEU A 42 -5.685 3.831 3.927 1.00 15.15 C ATOM 657 C LEU A 42 -7.167 3.881 3.568 1.00 51.31 C ATOM 658 O LEU A 42 -7.788 4.943 3.600 1.00 1.42 O ATOM 659 CB LEU A 42 -4.851 3.604 2.667 1.00 63.15 C ATOM 660 CG LEU A 42 -3.333 3.656 2.848 1.00 11.11 C ATOM 661 CD1 LEU A 42 -2.659 2.573 2.019 1.00 14.41 C ATOM 662 CD2 LEU A 42 -2.798 5.029 2.472 1.00 40.42 C ATOM 0 H LEU A 42 -4.903 1.983 4.536 1.00 63.23 H new ATOM 0 HA LEU A 42 -5.404 4.785 4.372 1.00 15.15 H new ATOM 0 HB2 LEU A 42 -5.114 2.631 2.252 1.00 63.15 H new ATOM 0 HB3 LEU A 42 -5.135 4.353 1.928 1.00 63.15 H new ATOM 0 HG LEU A 42 -3.105 3.475 3.898 1.00 11.11 H new ATOM 0 HD11 LEU A 42 -1.579 2.625 2.160 1.00 14.41 H new ATOM 0 HD12 LEU A 42 -3.019 1.595 2.337 1.00 14.41 H new ATOM 0 HD13 LEU A 42 -2.895 2.722 0.965 1.00 14.41 H new ATOM 0 HD21 LEU A 42 -1.717 5.048 2.607 1.00 40.42 H new ATOM 0 HD22 LEU A 42 -3.037 5.240 1.430 1.00 40.42 H new ATOM 0 HD23 LEU A 42 -3.256 5.785 3.110 1.00 40.42 H new ATOM 674 N GLU A 43 -7.728 2.725 3.226 1.00 1.51 N ATOM 675 CA GLU A 43 -9.137 2.639 2.862 1.00 21.41 C ATOM 676 C GLU A 43 -10.020 3.219 3.963 1.00 70.44 C ATOM 677 O GLU A 43 -11.061 3.815 3.688 1.00 0.02 O ATOM 678 CB GLU A 43 -9.529 1.184 2.593 1.00 23.34 C ATOM 679 CG GLU A 43 -10.777 1.038 1.741 1.00 74.53 C ATOM 680 CD GLU A 43 -12.052 1.255 2.531 1.00 35.12 C ATOM 681 OE1 GLU A 43 -12.004 1.159 3.775 1.00 4.43 O ATOM 682 OE2 GLU A 43 -13.101 1.521 1.905 1.00 45.12 O ATOM 0 H GLU A 43 -7.229 1.836 3.194 1.00 1.51 H new ATOM 0 HA GLU A 43 -9.287 3.223 1.954 1.00 21.41 H new ATOM 0 HB2 GLU A 43 -8.700 0.679 2.098 1.00 23.34 H new ATOM 0 HB3 GLU A 43 -9.688 0.677 3.545 1.00 23.34 H new ATOM 0 HG2 GLU A 43 -10.737 1.753 0.919 1.00 74.53 H new ATOM 0 HG3 GLU A 43 -10.794 0.043 1.297 1.00 74.53 H new ATOM 689 N ALA A 44 -9.597 3.040 5.210 1.00 42.22 N ATOM 690 CA ALA A 44 -10.347 3.547 6.352 1.00 22.32 C ATOM 691 C ALA A 44 -10.341 5.071 6.379 1.00 13.34 C ATOM 692 O ALA A 44 -11.232 5.694 6.957 1.00 54.04 O ATOM 693 CB ALA A 44 -9.775 2.991 7.648 1.00 34.32 C ATOM 0 H ALA A 44 -8.738 2.547 5.455 1.00 42.22 H new ATOM 0 HA ALA A 44 -11.381 3.216 6.253 1.00 22.32 H new ATOM 0 HB1 ALA A 44 -10.345 3.378 8.493 1.00 34.32 H new ATOM 0 HB2 ALA A 44 -9.838 1.903 7.636 1.00 34.32 H new ATOM 0 HB3 ALA A 44 -8.732 3.293 7.745 1.00 34.32 H new ATOM 699 N MET A 45 -9.331 5.666 5.754 1.00 62.04 N ATOM 700 CA MET A 45 -9.210 7.119 5.707 1.00 31.03 C ATOM 701 C MET A 45 -9.739 7.666 4.385 1.00 2.54 C ATOM 702 O MET A 45 -10.107 8.836 4.290 1.00 30.44 O ATOM 703 CB MET A 45 -7.751 7.537 5.898 1.00 22.13 C ATOM 704 CG MET A 45 -7.224 7.279 7.301 1.00 52.25 C ATOM 705 SD MET A 45 -7.874 8.445 8.512 1.00 42.42 S ATOM 706 CE MET A 45 -8.039 7.387 9.947 1.00 54.11 C ATOM 0 H MET A 45 -8.584 5.165 5.273 1.00 62.04 H new ATOM 0 HA MET A 45 -9.809 7.535 6.517 1.00 31.03 H new ATOM 0 HB2 MET A 45 -7.131 6.999 5.181 1.00 22.13 H new ATOM 0 HB3 MET A 45 -7.653 8.599 5.671 1.00 22.13 H new ATOM 0 HG2 MET A 45 -7.485 6.265 7.602 1.00 52.25 H new ATOM 0 HG3 MET A 45 -6.136 7.339 7.293 1.00 52.25 H new ATOM 0 HE1 MET A 45 -8.432 7.966 10.783 1.00 54.11 H new ATOM 0 HE2 MET A 45 -8.723 6.569 9.719 1.00 54.11 H new ATOM 0 HE3 MET A 45 -7.063 6.981 10.214 1.00 54.11 H new ATOM 716 N GLY A 46 -9.774 6.811 3.367 1.00 41.23 N ATOM 717 CA GLY A 46 -10.258 7.229 2.064 1.00 25.24 C ATOM 718 C GLY A 46 -9.140 7.686 1.149 1.00 11.51 C ATOM 719 O GLY A 46 -9.359 8.496 0.248 1.00 74.02 O ATOM 0 H GLY A 46 -9.476 5.837 3.421 1.00 41.23 H new ATOM 0 HA2 GLY A 46 -10.791 6.402 1.596 1.00 25.24 H new ATOM 0 HA3 GLY A 46 -10.975 8.040 2.189 1.00 25.24 H new ATOM 723 N ARG A 47 -7.938 7.169 1.380 1.00 4.14 N ATOM 724 CA ARG A 47 -6.780 7.532 0.572 1.00 34.44 C ATOM 725 C ARG A 47 -6.739 6.713 -0.716 1.00 0.42 C ATOM 726 O ARG A 47 -6.463 7.245 -1.791 1.00 64.45 O ATOM 727 CB ARG A 47 -5.490 7.321 1.365 1.00 32.24 C ATOM 728 CG ARG A 47 -5.581 7.785 2.810 1.00 45.24 C ATOM 729 CD ARG A 47 -5.850 9.279 2.900 1.00 65.54 C ATOM 730 NE ARG A 47 -4.693 10.014 3.403 1.00 25.35 N ATOM 731 CZ ARG A 47 -4.570 11.334 3.325 1.00 62.23 C ATOM 732 NH1 ARG A 47 -5.527 12.061 2.766 1.00 31.35 N ATOM 733 NH2 ARG A 47 -3.487 11.931 3.807 1.00 43.12 N ATOM 0 H ARG A 47 -7.740 6.497 2.121 1.00 4.14 H new ATOM 0 HA ARG A 47 -6.867 8.586 0.310 1.00 34.44 H new ATOM 0 HB2 ARG A 47 -5.232 6.262 1.348 1.00 32.24 H new ATOM 0 HB3 ARG A 47 -4.678 7.855 0.871 1.00 32.24 H new ATOM 0 HG2 ARG A 47 -6.376 7.240 3.319 1.00 45.24 H new ATOM 0 HG3 ARG A 47 -4.651 7.550 3.328 1.00 45.24 H new ATOM 0 HD2 ARG A 47 -6.120 9.659 1.915 1.00 65.54 H new ATOM 0 HD3 ARG A 47 -6.704 9.455 3.554 1.00 65.54 H new ATOM 0 HE ARG A 47 -3.938 9.484 3.838 1.00 25.35 H new ATOM 0 HH11 ARG A 47 -6.361 11.607 2.394 1.00 31.35 H new ATOM 0 HH12 ARG A 47 -5.429 13.075 2.708 1.00 31.35 H new ATOM 0 HH21 ARG A 47 -2.748 11.376 4.238 1.00 43.12 H new ATOM 0 HH22 ARG A 47 -3.394 12.945 3.746 1.00 43.12 H new ATOM 747 N ILE A 48 -7.015 5.419 -0.597 1.00 35.25 N ATOM 748 CA ILE A 48 -7.010 4.529 -1.750 1.00 63.30 C ATOM 749 C ILE A 48 -8.412 4.367 -2.327 1.00 42.35 C ATOM 750 O ILE A 48 -8.718 3.366 -2.974 1.00 70.50 O ATOM 751 CB ILE A 48 -6.454 3.139 -1.385 1.00 61.04 C ATOM 752 CG1 ILE A 48 -7.321 2.485 -0.308 1.00 2.15 C ATOM 753 CG2 ILE A 48 -5.012 3.252 -0.916 1.00 5.12 C ATOM 754 CD1 ILE A 48 -6.833 1.117 0.113 1.00 40.02 C ATOM 0 H ILE A 48 -7.245 4.964 0.286 1.00 35.25 H new ATOM 0 HA ILE A 48 -6.363 4.986 -2.498 1.00 63.30 H new ATOM 0 HB ILE A 48 -6.478 2.510 -2.275 1.00 61.04 H new ATOM 0 HG12 ILE A 48 -7.352 3.135 0.566 1.00 2.15 H new ATOM 0 HG13 ILE A 48 -8.343 2.399 -0.678 1.00 2.15 H new ATOM 0 HG21 ILE A 48 -4.633 2.262 -0.662 1.00 5.12 H new ATOM 0 HG22 ILE A 48 -4.403 3.680 -1.712 1.00 5.12 H new ATOM 0 HG23 ILE A 48 -4.965 3.895 -0.037 1.00 5.12 H new ATOM 0 HD11 ILE A 48 -7.496 0.714 0.879 1.00 40.02 H new ATOM 0 HD12 ILE A 48 -6.828 0.451 -0.750 1.00 40.02 H new ATOM 0 HD13 ILE A 48 -5.823 1.199 0.514 1.00 40.02 H new ATOM 1035 N THR A 62 -24.402 20.628 -17.344 1.00 31.14 N ATOM 1036 CA THR A 62 -24.005 19.276 -16.969 1.00 14.32 C ATOM 1037 C THR A 62 -24.292 19.008 -15.496 1.00 32.14 C ATOM 1038 O THR A 62 -24.585 19.929 -14.734 1.00 32.33 O ATOM 1039 CB THR A 62 -22.509 19.035 -17.241 1.00 75.42 C ATOM 1040 OG1 THR A 62 -22.073 19.846 -18.338 1.00 22.22 O ATOM 1041 CG2 THR A 62 -22.245 17.568 -17.552 1.00 13.20 C ATOM 0 HA THR A 62 -24.593 18.592 -17.581 1.00 14.32 H new ATOM 0 HB THR A 62 -21.951 19.307 -16.345 1.00 75.42 H new ATOM 0 HG1 THR A 62 -22.737 20.546 -18.511 1.00 22.22 H new ATOM 0 HG21 THR A 62 -21.181 17.422 -17.741 1.00 13.20 H new ATOM 0 HG22 THR A 62 -22.551 16.956 -16.704 1.00 13.20 H new ATOM 0 HG23 THR A 62 -22.814 17.275 -18.435 1.00 13.20 H new ATOM 1049 N GLU A 63 -24.207 17.741 -15.102 1.00 64.04 N ATOM 1050 CA GLU A 63 -24.457 17.352 -13.720 1.00 70.11 C ATOM 1051 C GLU A 63 -23.628 18.198 -12.758 1.00 21.31 C ATOM 1052 O GLU A 63 -24.072 18.518 -11.656 1.00 42.10 O ATOM 1053 CB GLU A 63 -24.138 15.870 -13.517 1.00 61.40 C ATOM 1054 CG GLU A 63 -24.463 15.362 -12.122 1.00 71.42 C ATOM 1055 CD GLU A 63 -23.726 14.081 -11.781 1.00 15.11 C ATOM 1056 OE1 GLU A 63 -24.170 13.004 -12.230 1.00 24.24 O ATOM 1057 OE2 GLU A 63 -22.705 14.158 -11.065 1.00 54.01 O ATOM 0 H GLU A 63 -23.967 16.967 -15.721 1.00 64.04 H new ATOM 0 HA GLU A 63 -25.513 17.521 -13.508 1.00 70.11 H new ATOM 0 HB2 GLU A 63 -24.696 15.284 -14.247 1.00 61.40 H new ATOM 0 HB3 GLU A 63 -23.079 15.704 -13.717 1.00 61.40 H new ATOM 0 HG2 GLU A 63 -24.207 16.129 -11.391 1.00 71.42 H new ATOM 0 HG3 GLU A 63 -25.537 15.191 -12.043 1.00 71.42 H new ATOM 1064 N GLU A 64 -22.420 18.556 -13.184 1.00 71.11 N ATOM 1065 CA GLU A 64 -21.529 19.363 -12.360 1.00 43.42 C ATOM 1066 C GLU A 64 -21.979 20.821 -12.339 1.00 3.35 C ATOM 1067 O GLU A 64 -21.795 21.523 -11.344 1.00 32.33 O ATOM 1068 CB GLU A 64 -20.093 19.269 -12.880 1.00 60.11 C ATOM 1069 CG GLU A 64 -19.118 18.684 -11.873 1.00 5.31 C ATOM 1070 CD GLU A 64 -18.843 17.212 -12.112 1.00 60.01 C ATOM 1071 OE1 GLU A 64 -19.782 16.402 -11.964 1.00 22.34 O ATOM 1072 OE2 GLU A 64 -17.690 16.871 -12.449 1.00 62.03 O ATOM 0 H GLU A 64 -22.037 18.300 -14.094 1.00 71.11 H new ATOM 0 HA GLU A 64 -21.566 18.975 -11.342 1.00 43.42 H new ATOM 0 HB2 GLU A 64 -20.082 18.657 -13.782 1.00 60.11 H new ATOM 0 HB3 GLU A 64 -19.753 20.264 -13.166 1.00 60.11 H new ATOM 0 HG2 GLU A 64 -18.180 19.237 -11.918 1.00 5.31 H new ATOM 0 HG3 GLU A 64 -19.517 18.816 -10.867 1.00 5.31 H new ATOM 1079 N GLU A 65 -22.568 21.268 -13.442 1.00 55.52 N ATOM 1080 CA GLU A 65 -23.043 22.643 -13.549 1.00 75.14 C ATOM 1081 C GLU A 65 -24.209 22.892 -12.596 1.00 43.25 C ATOM 1082 O GLU A 65 -24.165 23.805 -11.771 1.00 10.43 O ATOM 1083 CB GLU A 65 -23.472 22.947 -14.987 1.00 33.30 C ATOM 1084 CG GLU A 65 -24.401 24.143 -15.105 1.00 33.21 C ATOM 1085 CD GLU A 65 -23.864 25.372 -14.398 1.00 32.44 C ATOM 1086 OE1 GLU A 65 -22.645 25.420 -14.135 1.00 62.33 O ATOM 1087 OE2 GLU A 65 -24.665 26.286 -14.107 1.00 45.14 O ATOM 0 H GLU A 65 -22.728 20.700 -14.274 1.00 55.52 H new ATOM 0 HA GLU A 65 -22.223 23.306 -13.273 1.00 75.14 H new ATOM 0 HB2 GLU A 65 -22.583 23.127 -15.592 1.00 33.30 H new ATOM 0 HB3 GLU A 65 -23.968 22.070 -15.402 1.00 33.30 H new ATOM 0 HG2 GLU A 65 -24.557 24.374 -16.159 1.00 33.21 H new ATOM 0 HG3 GLU A 65 -25.374 23.885 -14.688 1.00 33.21 H new ATOM 1094 N LEU A 66 -25.249 22.076 -12.717 1.00 63.11 N ATOM 1095 CA LEU A 66 -26.427 22.207 -11.867 1.00 73.14 C ATOM 1096 C LEU A 66 -26.040 22.185 -10.392 1.00 31.32 C ATOM 1097 O LEU A 66 -26.682 22.826 -9.561 1.00 30.10 O ATOM 1098 CB LEU A 66 -27.422 21.083 -12.162 1.00 65.40 C ATOM 1099 CG LEU A 66 -27.123 19.734 -11.507 1.00 12.13 C ATOM 1100 CD1 LEU A 66 -27.786 19.645 -10.140 1.00 53.23 C ATOM 1101 CD2 LEU A 66 -27.585 18.592 -12.400 1.00 75.45 C ATOM 0 H LEU A 66 -25.301 21.316 -13.396 1.00 63.11 H new ATOM 0 HA LEU A 66 -26.897 23.166 -12.086 1.00 73.14 H new ATOM 0 HB2 LEU A 66 -28.412 21.408 -11.843 1.00 65.40 H new ATOM 0 HB3 LEU A 66 -27.467 20.938 -13.241 1.00 65.40 H new ATOM 0 HG LEU A 66 -26.045 19.650 -11.372 1.00 12.13 H new ATOM 0 HD11 LEU A 66 -27.562 18.678 -9.689 1.00 53.23 H new ATOM 0 HD12 LEU A 66 -27.407 20.441 -9.499 1.00 53.23 H new ATOM 0 HD13 LEU A 66 -28.865 19.752 -10.251 1.00 53.23 H new ATOM 0 HD21 LEU A 66 -27.364 17.640 -11.917 1.00 75.45 H new ATOM 0 HD22 LEU A 66 -28.659 18.673 -12.568 1.00 75.45 H new ATOM 0 HD23 LEU A 66 -27.064 18.644 -13.356 1.00 75.45 H new ATOM 1113 N ALA A 67 -24.983 21.443 -10.074 1.00 12.11 N ATOM 1114 CA ALA A 67 -24.507 21.340 -8.700 1.00 74.42 C ATOM 1115 C ALA A 67 -23.666 22.554 -8.319 1.00 30.51 C ATOM 1116 O ALA A 67 -23.543 22.891 -7.141 1.00 32.11 O ATOM 1117 CB ALA A 67 -23.707 20.060 -8.514 1.00 22.25 C ATOM 0 H ALA A 67 -24.441 20.905 -10.750 1.00 12.11 H new ATOM 0 HA ALA A 67 -25.375 21.311 -8.041 1.00 74.42 H new ATOM 0 HB1 ALA A 67 -23.358 19.996 -7.484 1.00 22.25 H new ATOM 0 HB2 ALA A 67 -24.339 19.200 -8.737 1.00 22.25 H new ATOM 0 HB3 ALA A 67 -22.850 20.065 -9.188 1.00 22.25 H new ATOM 1123 N THR A 68 -23.088 23.206 -9.322 1.00 63.51 N ATOM 1124 CA THR A 68 -22.256 24.381 -9.092 1.00 35.35 C ATOM 1125 C THR A 68 -23.107 25.639 -8.965 1.00 45.50 C ATOM 1126 O THR A 68 -22.952 26.412 -8.018 1.00 41.20 O ATOM 1127 CB THR A 68 -21.234 24.578 -10.226 1.00 71.44 C ATOM 1128 OG1 THR A 68 -20.371 23.438 -10.311 1.00 30.11 O ATOM 1129 CG2 THR A 68 -20.406 25.832 -9.998 1.00 32.03 C ATOM 0 H THR A 68 -23.181 22.940 -10.302 1.00 63.51 H new ATOM 0 HA THR A 68 -21.720 24.211 -8.158 1.00 35.35 H new ATOM 0 HB THR A 68 -21.781 24.690 -11.162 1.00 71.44 H new ATOM 0 HG1 THR A 68 -20.880 22.666 -10.635 1.00 30.11 H new ATOM 0 HG21 THR A 68 -19.691 25.949 -10.813 1.00 32.03 H new ATOM 0 HG22 THR A 68 -21.063 26.701 -9.964 1.00 32.03 H new ATOM 0 HG23 THR A 68 -19.869 25.747 -9.053 1.00 32.03 H new ATOM 1137 N ILE A 69 -24.005 25.840 -9.923 1.00 63.13 N ATOM 1138 CA ILE A 69 -24.881 27.005 -9.917 1.00 1.11 C ATOM 1139 C ILE A 69 -25.674 27.090 -8.617 1.00 32.42 C ATOM 1140 O ILE A 69 -25.897 28.176 -8.084 1.00 2.21 O ATOM 1141 CB ILE A 69 -25.862 26.978 -11.104 1.00 14.40 C ATOM 1142 CG1 ILE A 69 -26.785 28.198 -11.058 1.00 30.34 C ATOM 1143 CG2 ILE A 69 -26.674 25.692 -11.091 1.00 22.24 C ATOM 1144 CD1 ILE A 69 -27.529 28.441 -12.352 1.00 51.15 C ATOM 0 H ILE A 69 -24.145 25.211 -10.714 1.00 63.13 H new ATOM 0 HA ILE A 69 -24.240 27.882 -10.006 1.00 1.11 H new ATOM 0 HB ILE A 69 -25.289 27.013 -12.031 1.00 14.40 H new ATOM 0 HG12 ILE A 69 -27.507 28.067 -10.252 1.00 30.34 H new ATOM 0 HG13 ILE A 69 -26.194 29.082 -10.816 1.00 30.34 H new ATOM 0 HG21 ILE A 69 -27.363 25.688 -11.936 1.00 22.24 H new ATOM 0 HG22 ILE A 69 -26.002 24.837 -11.166 1.00 22.24 H new ATOM 0 HG23 ILE A 69 -27.240 25.628 -10.162 1.00 22.24 H new ATOM 0 HD11 ILE A 69 -28.164 29.321 -12.247 1.00 51.15 H new ATOM 0 HD12 ILE A 69 -26.814 28.604 -13.158 1.00 51.15 H new ATOM 0 HD13 ILE A 69 -28.147 27.574 -12.585 1.00 51.15 H new ATOM 1156 N ARG A 70 -26.097 25.935 -8.113 1.00 70.31 N ATOM 1157 CA ARG A 70 -26.866 25.878 -6.876 1.00 25.24 C ATOM 1158 C ARG A 70 -26.111 26.555 -5.735 1.00 0.01 C ATOM 1159 O ARG A 70 -26.712 27.000 -4.758 1.00 33.44 O ATOM 1160 CB ARG A 70 -27.172 24.424 -6.506 1.00 44.33 C ATOM 1161 CG ARG A 70 -26.002 23.702 -5.856 1.00 54.11 C ATOM 1162 CD ARG A 70 -26.156 23.644 -4.344 1.00 3.20 C ATOM 1163 NE ARG A 70 -26.197 22.270 -3.851 1.00 61.13 N ATOM 1164 CZ ARG A 70 -26.651 21.934 -2.649 1.00 61.33 C ATOM 1165 NH1 ARG A 70 -27.100 22.867 -1.822 1.00 23.30 N ATOM 1166 NH2 ARG A 70 -26.656 20.661 -2.273 1.00 4.40 N ATOM 0 H ARG A 70 -25.920 25.027 -8.542 1.00 70.31 H new ATOM 0 HA ARG A 70 -27.804 26.410 -7.036 1.00 25.24 H new ATOM 0 HB2 ARG A 70 -28.024 24.402 -5.827 1.00 44.33 H new ATOM 0 HB3 ARG A 70 -27.467 23.883 -7.405 1.00 44.33 H new ATOM 0 HG2 ARG A 70 -25.930 22.690 -6.255 1.00 54.11 H new ATOM 0 HG3 ARG A 70 -25.072 24.211 -6.109 1.00 54.11 H new ATOM 0 HD2 ARG A 70 -25.327 24.173 -3.874 1.00 3.20 H new ATOM 0 HD3 ARG A 70 -27.070 24.161 -4.052 1.00 3.20 H new ATOM 0 HE ARG A 70 -25.858 21.528 -4.463 1.00 61.13 H new ATOM 0 HH11 ARG A 70 -27.098 23.846 -2.108 1.00 23.30 H new ATOM 0 HH12 ARG A 70 -27.448 22.606 -0.899 1.00 23.30 H new ATOM 0 HH21 ARG A 70 -26.311 19.941 -2.907 1.00 4.40 H new ATOM 0 HH22 ARG A 70 -27.005 20.403 -1.350 1.00 4.40 H new ATOM 1180 N GLU A 71 -24.790 26.628 -5.867 1.00 22.10 N ATOM 1181 CA GLU A 71 -23.954 27.249 -4.848 1.00 2.24 C ATOM 1182 C GLU A 71 -24.441 28.660 -4.531 1.00 2.15 C ATOM 1183 O GLU A 71 -24.307 29.137 -3.402 1.00 73.23 O ATOM 1184 CB GLU A 71 -22.496 27.293 -5.308 1.00 41.13 C ATOM 1185 CG GLU A 71 -21.523 27.700 -4.214 1.00 42.44 C ATOM 1186 CD GLU A 71 -21.124 26.539 -3.325 1.00 33.51 C ATOM 1187 OE1 GLU A 71 -20.703 25.495 -3.866 1.00 20.24 O ATOM 1188 OE2 GLU A 71 -21.233 26.674 -2.089 1.00 11.21 O ATOM 0 H GLU A 71 -24.277 26.265 -6.670 1.00 22.10 H new ATOM 0 HA GLU A 71 -24.023 26.646 -3.942 1.00 2.24 H new ATOM 0 HB2 GLU A 71 -22.214 26.310 -5.686 1.00 41.13 H new ATOM 0 HB3 GLU A 71 -22.407 27.992 -6.140 1.00 41.13 H new ATOM 0 HG2 GLU A 71 -20.630 28.128 -4.669 1.00 42.44 H new ATOM 0 HG3 GLU A 71 -21.975 28.481 -3.603 1.00 42.44 H new ATOM 1195 N LEU A 72 -25.006 29.324 -5.532 1.00 65.34 N ATOM 1196 CA LEU A 72 -25.512 30.681 -5.363 1.00 32.01 C ATOM 1197 C LEU A 72 -26.476 30.758 -4.182 1.00 54.34 C ATOM 1198 O LEU A 72 -26.699 31.830 -3.619 1.00 4.34 O ATOM 1199 CB LEU A 72 -26.213 31.149 -6.640 1.00 33.35 C ATOM 1200 CG LEU A 72 -27.707 30.839 -6.737 1.00 74.53 C ATOM 1201 CD1 LEU A 72 -27.966 29.365 -6.463 1.00 71.23 C ATOM 1202 CD2 LEU A 72 -28.497 31.709 -5.771 1.00 73.01 C ATOM 0 H LEU A 72 -25.126 28.944 -6.471 1.00 65.34 H new ATOM 0 HA LEU A 72 -24.665 31.336 -5.161 1.00 32.01 H new ATOM 0 HB2 LEU A 72 -26.079 32.227 -6.730 1.00 33.35 H new ATOM 0 HB3 LEU A 72 -25.712 30.693 -7.494 1.00 33.35 H new ATOM 0 HG LEU A 72 -28.039 31.063 -7.751 1.00 74.53 H new ATOM 0 HD11 LEU A 72 -29.035 29.164 -6.537 1.00 71.23 H new ATOM 0 HD12 LEU A 72 -27.431 28.759 -7.195 1.00 71.23 H new ATOM 0 HD13 LEU A 72 -27.618 29.115 -5.461 1.00 71.23 H new ATOM 0 HD21 LEU A 72 -29.558 31.474 -5.854 1.00 73.01 H new ATOM 0 HD22 LEU A 72 -28.162 31.518 -4.752 1.00 73.01 H new ATOM 0 HD23 LEU A 72 -28.338 32.760 -6.014 1.00 73.01 H new ATOM 1214 N TYR A 73 -27.044 29.616 -3.814 1.00 34.31 N ATOM 1215 CA TYR A 73 -27.984 29.554 -2.701 1.00 12.23 C ATOM 1216 C TYR A 73 -27.247 29.560 -1.365 1.00 34.22 C ATOM 1217 O TYR A 73 -27.709 30.157 -0.391 1.00 44.41 O ATOM 1218 CB TYR A 73 -28.855 28.300 -2.810 1.00 52.34 C ATOM 1219 CG TYR A 73 -30.338 28.586 -2.745 1.00 3.24 C ATOM 1220 CD1 TYR A 73 -30.883 29.288 -1.676 1.00 13.40 C ATOM 1221 CD2 TYR A 73 -31.195 28.154 -3.750 1.00 4.24 C ATOM 1222 CE1 TYR A 73 -32.238 29.551 -1.611 1.00 3.53 C ATOM 1223 CE2 TYR A 73 -32.550 28.414 -3.693 1.00 72.30 C ATOM 1224 CZ TYR A 73 -33.067 29.112 -2.621 1.00 74.51 C ATOM 1225 OH TYR A 73 -34.417 29.371 -2.562 1.00 2.52 O ATOM 0 H TYR A 73 -26.870 28.720 -4.270 1.00 34.31 H new ATOM 0 HA TYR A 73 -28.622 30.437 -2.748 1.00 12.23 H new ATOM 0 HB2 TYR A 73 -28.632 27.793 -3.749 1.00 52.34 H new ATOM 0 HB3 TYR A 73 -28.590 27.613 -2.006 1.00 52.34 H new ATOM 0 HD1 TYR A 73 -30.236 29.634 -0.883 1.00 13.40 H new ATOM 0 HD2 TYR A 73 -30.795 27.606 -4.590 1.00 4.24 H new ATOM 0 HE1 TYR A 73 -32.645 30.098 -0.773 1.00 3.53 H new ATOM 0 HE2 TYR A 73 -33.202 28.073 -4.484 1.00 72.30 H new ATOM 0 HH TYR A 73 -34.857 28.994 -3.352 1.00 2.52 H new ATOM 1235 N LEU A 74 -26.100 28.892 -1.326 1.00 61.12 N ATOM 1236 CA LEU A 74 -25.297 28.819 -0.111 1.00 21.14 C ATOM 1237 C LEU A 74 -24.590 30.145 0.155 1.00 13.01 C ATOM 1238 O LEU A 74 -24.581 30.641 1.282 1.00 21.53 O ATOM 1239 CB LEU A 74 -24.268 27.693 -0.222 1.00 14.54 C ATOM 1240 CG LEU A 74 -24.823 26.269 -0.167 1.00 33.44 C ATOM 1241 CD1 LEU A 74 -25.731 26.095 1.041 1.00 51.55 C ATOM 1242 CD2 LEU A 74 -25.571 25.939 -1.450 1.00 70.20 C ATOM 0 H LEU A 74 -25.705 28.393 -2.123 1.00 61.12 H new ATOM 0 HA LEU A 74 -25.965 28.610 0.724 1.00 21.14 H new ATOM 0 HB2 LEU A 74 -23.726 27.814 -1.160 1.00 14.54 H new ATOM 0 HB3 LEU A 74 -23.542 27.810 0.583 1.00 14.54 H new ATOM 0 HG LEU A 74 -23.986 25.577 -0.069 1.00 33.44 H new ATOM 0 HD11 LEU A 74 -26.116 25.076 1.063 1.00 51.55 H new ATOM 0 HD12 LEU A 74 -25.165 26.289 1.952 1.00 51.55 H new ATOM 0 HD13 LEU A 74 -26.563 26.796 0.975 1.00 51.55 H new ATOM 0 HD21 LEU A 74 -25.959 24.922 -1.394 1.00 70.20 H new ATOM 0 HD22 LEU A 74 -26.399 26.637 -1.578 1.00 70.20 H new ATOM 0 HD23 LEU A 74 -24.892 26.022 -2.299 1.00 70.20 H new ATOM 1254 N LYS A 75 -24.002 30.716 -0.890 1.00 72.40 N ATOM 1255 CA LYS A 75 -23.296 31.985 -0.773 1.00 1.14 C ATOM 1256 C LYS A 75 -24.266 33.158 -0.868 1.00 3.40 C ATOM 1257 O LYS A 75 -23.957 34.269 -0.437 1.00 63.33 O ATOM 1258 CB LYS A 75 -22.229 32.102 -1.864 1.00 42.32 C ATOM 1259 CG LYS A 75 -21.209 30.977 -1.839 1.00 62.14 C ATOM 1260 CD LYS A 75 -19.833 31.462 -2.267 1.00 2.45 C ATOM 1261 CE LYS A 75 -19.772 31.718 -3.764 1.00 75.01 C ATOM 1262 NZ LYS A 75 -18.374 31.684 -4.276 1.00 24.01 N ATOM 0 H LYS A 75 -24.001 30.319 -1.829 1.00 72.40 H new ATOM 0 HA LYS A 75 -22.813 32.014 0.204 1.00 1.14 H new ATOM 0 HB2 LYS A 75 -22.717 32.117 -2.838 1.00 42.32 H new ATOM 0 HB3 LYS A 75 -21.710 33.054 -1.753 1.00 42.32 H new ATOM 0 HG2 LYS A 75 -21.152 30.559 -0.834 1.00 62.14 H new ATOM 0 HG3 LYS A 75 -21.535 30.174 -2.501 1.00 62.14 H new ATOM 0 HD2 LYS A 75 -19.586 32.378 -1.730 1.00 2.45 H new ATOM 0 HD3 LYS A 75 -19.083 30.720 -1.993 1.00 2.45 H new ATOM 0 HE2 LYS A 75 -20.368 30.969 -4.285 1.00 75.01 H new ATOM 0 HE3 LYS A 75 -20.216 32.689 -3.985 1.00 75.01 H new ATOM 0 HZ1 LYS A 75 -18.375 31.863 -5.300 1.00 24.01 H new ATOM 0 HZ2 LYS A 75 -17.811 32.416 -3.797 1.00 24.01 H new ATOM 0 HZ3 LYS A 75 -17.958 30.749 -4.088 1.00 24.01 H new ATOM 1276 N GLY A 76 -25.442 32.903 -1.434 1.00 53.34 N ATOM 1277 CA GLY A 76 -26.440 33.948 -1.574 1.00 44.31 C ATOM 1278 C GLY A 76 -26.207 34.811 -2.799 1.00 73.01 C ATOM 1279 O GLY A 76 -26.780 35.894 -2.920 1.00 22.40 O ATOM 0 H GLY A 76 -25.721 31.992 -1.798 1.00 53.34 H new ATOM 0 HA2 GLY A 76 -27.430 33.495 -1.635 1.00 44.31 H new ATOM 0 HA3 GLY A 76 -26.431 34.576 -0.683 1.00 44.31 H new ATOM 1283 N ALA A 77 -25.365 34.332 -3.708 1.00 3.02 N ATOM 1284 CA ALA A 77 -25.059 35.066 -4.929 1.00 1.52 C ATOM 1285 C ALA A 77 -26.325 35.343 -5.734 1.00 44.52 C ATOM 1286 O ALA A 77 -27.401 34.841 -5.412 1.00 2.32 O ATOM 1287 CB ALA A 77 -24.054 34.295 -5.771 1.00 63.02 C ATOM 0 H ALA A 77 -24.882 33.438 -3.622 1.00 3.02 H new ATOM 0 HA ALA A 77 -24.621 36.024 -4.648 1.00 1.52 H new ATOM 0 HB1 ALA A 77 -23.835 34.855 -6.680 1.00 63.02 H new ATOM 0 HB2 ALA A 77 -23.135 34.153 -5.202 1.00 63.02 H new ATOM 0 HB3 ALA A 77 -24.471 33.323 -6.036 1.00 63.02 H new ATOM 1293 N THR A 78 -26.187 36.149 -6.783 1.00 12.24 N ATOM 1294 CA THR A 78 -27.319 36.495 -7.633 1.00 13.22 C ATOM 1295 C THR A 78 -27.137 35.946 -9.043 1.00 63.24 C ATOM 1296 O THR A 78 -26.115 35.333 -9.354 1.00 44.20 O ATOM 1297 CB THR A 78 -27.519 38.020 -7.710 1.00 41.44 C ATOM 1298 OG1 THR A 78 -26.429 38.621 -8.418 1.00 65.24 O ATOM 1299 CG2 THR A 78 -27.619 38.624 -6.318 1.00 13.13 C ATOM 0 H THR A 78 -25.303 36.574 -7.064 1.00 12.24 H new ATOM 0 HA THR A 78 -28.202 36.043 -7.181 1.00 13.22 H new ATOM 0 HB THR A 78 -28.450 38.216 -8.241 1.00 41.44 H new ATOM 0 HG1 THR A 78 -26.564 39.591 -8.464 1.00 65.24 H new ATOM 0 HG21 THR A 78 -27.760 39.702 -6.398 1.00 13.13 H new ATOM 0 HG22 THR A 78 -28.466 38.185 -5.791 1.00 13.13 H new ATOM 0 HG23 THR A 78 -26.702 38.418 -5.765 1.00 13.13 H new ATOM 1307 N VAL A 79 -28.133 36.169 -9.894 1.00 41.23 N ATOM 1308 CA VAL A 79 -28.082 35.698 -11.272 1.00 63.54 C ATOM 1309 C VAL A 79 -26.832 36.210 -11.982 1.00 11.12 C ATOM 1310 O VAL A 79 -26.329 35.576 -12.909 1.00 53.05 O ATOM 1311 CB VAL A 79 -29.326 36.140 -12.065 1.00 12.11 C ATOM 1312 CG1 VAL A 79 -29.331 35.508 -13.449 1.00 51.43 C ATOM 1313 CG2 VAL A 79 -30.595 35.786 -11.304 1.00 1.34 C ATOM 0 H VAL A 79 -28.986 36.674 -9.653 1.00 41.23 H new ATOM 0 HA VAL A 79 -28.055 34.609 -11.232 1.00 63.54 H new ATOM 0 HB VAL A 79 -29.292 37.223 -12.187 1.00 12.11 H new ATOM 0 HG11 VAL A 79 -30.218 35.832 -13.994 1.00 51.43 H new ATOM 0 HG12 VAL A 79 -28.438 35.816 -13.993 1.00 51.43 H new ATOM 0 HG13 VAL A 79 -29.341 34.422 -13.353 1.00 51.43 H new ATOM 0 HG21 VAL A 79 -31.465 36.105 -11.878 1.00 1.34 H new ATOM 0 HG22 VAL A 79 -30.638 34.708 -11.150 1.00 1.34 H new ATOM 0 HG23 VAL A 79 -30.593 36.291 -10.338 1.00 1.34 H new ATOM 1323 N TYR A 80 -26.336 37.360 -11.539 1.00 34.55 N ATOM 1324 CA TYR A 80 -25.147 37.959 -12.132 1.00 31.11 C ATOM 1325 C TYR A 80 -23.893 37.186 -11.736 1.00 22.54 C ATOM 1326 O TYR A 80 -22.909 37.158 -12.475 1.00 53.50 O ATOM 1327 CB TYR A 80 -25.017 39.420 -11.700 1.00 23.14 C ATOM 1328 CG TYR A 80 -24.155 40.250 -12.624 1.00 34.21 C ATOM 1329 CD1 TYR A 80 -22.784 40.350 -12.425 1.00 64.34 C ATOM 1330 CD2 TYR A 80 -24.713 40.936 -13.696 1.00 41.32 C ATOM 1331 CE1 TYR A 80 -21.993 41.107 -13.267 1.00 45.21 C ATOM 1332 CE2 TYR A 80 -23.930 41.696 -14.544 1.00 23.03 C ATOM 1333 CZ TYR A 80 -22.571 41.778 -14.325 1.00 43.33 C ATOM 1334 OH TYR A 80 -21.787 42.534 -15.165 1.00 63.05 O ATOM 0 H TYR A 80 -26.740 37.896 -10.771 1.00 34.55 H new ATOM 0 HA TYR A 80 -25.251 37.916 -13.216 1.00 31.11 H new ATOM 0 HB2 TYR A 80 -26.011 39.864 -11.647 1.00 23.14 H new ATOM 0 HB3 TYR A 80 -24.598 39.457 -10.695 1.00 23.14 H new ATOM 0 HD1 TYR A 80 -22.328 39.827 -11.597 1.00 64.34 H new ATOM 0 HD2 TYR A 80 -25.777 40.874 -13.869 1.00 41.32 H new ATOM 0 HE1 TYR A 80 -20.928 41.173 -13.098 1.00 45.21 H new ATOM 0 HE2 TYR A 80 -24.380 42.222 -15.373 1.00 23.03 H new ATOM 0 HH TYR A 80 -22.348 42.940 -15.859 1.00 63.05 H new ATOM 1344 N GLU A 81 -23.937 36.558 -10.565 1.00 54.22 N ATOM 1345 CA GLU A 81 -22.804 35.784 -10.070 1.00 54.14 C ATOM 1346 C GLU A 81 -22.694 34.451 -10.804 1.00 14.31 C ATOM 1347 O GLU A 81 -21.611 34.056 -11.236 1.00 71.41 O ATOM 1348 CB GLU A 81 -22.943 35.542 -8.565 1.00 41.05 C ATOM 1349 CG GLU A 81 -22.686 36.780 -7.724 1.00 43.22 C ATOM 1350 CD GLU A 81 -21.228 36.929 -7.333 1.00 63.35 C ATOM 1351 OE1 GLU A 81 -20.364 36.880 -8.233 1.00 70.13 O ATOM 1352 OE2 GLU A 81 -20.951 37.094 -6.126 1.00 31.51 O ATOM 0 H GLU A 81 -24.744 36.570 -9.942 1.00 54.22 H new ATOM 0 HA GLU A 81 -21.895 36.357 -10.256 1.00 54.14 H new ATOM 0 HB2 GLU A 81 -23.947 35.173 -8.356 1.00 41.05 H new ATOM 0 HB3 GLU A 81 -22.247 34.759 -8.266 1.00 41.05 H new ATOM 0 HG2 GLU A 81 -23.001 37.663 -8.279 1.00 43.22 H new ATOM 0 HG3 GLU A 81 -23.297 36.735 -6.823 1.00 43.22 H new ATOM 1359 N ILE A 82 -23.823 33.763 -10.938 1.00 71.50 N ATOM 1360 CA ILE A 82 -23.854 32.473 -11.620 1.00 3.40 C ATOM 1361 C ILE A 82 -23.478 32.620 -13.090 1.00 60.42 C ATOM 1362 O ILE A 82 -22.883 31.720 -13.682 1.00 33.24 O ATOM 1363 CB ILE A 82 -25.244 31.818 -11.519 1.00 22.33 C ATOM 1364 CG1 ILE A 82 -26.312 32.743 -12.103 1.00 34.00 C ATOM 1365 CG2 ILE A 82 -25.565 31.476 -10.071 1.00 64.54 C ATOM 1366 CD1 ILE A 82 -27.709 32.166 -12.045 1.00 32.31 C ATOM 0 H ILE A 82 -24.727 34.076 -10.584 1.00 71.50 H new ATOM 0 HA ILE A 82 -23.123 31.834 -11.123 1.00 3.40 H new ATOM 0 HB ILE A 82 -25.236 30.894 -12.097 1.00 22.33 H new ATOM 0 HG12 ILE A 82 -26.296 33.690 -11.563 1.00 34.00 H new ATOM 0 HG13 ILE A 82 -26.062 32.964 -13.141 1.00 34.00 H new ATOM 0 HG21 ILE A 82 -26.551 31.014 -10.016 1.00 64.54 H new ATOM 0 HG22 ILE A 82 -24.817 30.782 -9.687 1.00 64.54 H new ATOM 0 HG23 ILE A 82 -25.557 32.387 -9.472 1.00 64.54 H new ATOM 0 HD11 ILE A 82 -28.414 32.876 -12.476 1.00 32.31 H new ATOM 0 HD12 ILE A 82 -27.741 31.234 -12.609 1.00 32.31 H new ATOM 0 HD13 ILE A 82 -27.979 31.971 -11.007 1.00 32.31 H new ATOM 1378 N ALA A 83 -23.828 33.761 -13.673 1.00 72.43 N ATOM 1379 CA ALA A 83 -23.525 34.027 -15.074 1.00 40.12 C ATOM 1380 C ALA A 83 -22.023 34.185 -15.290 1.00 13.30 C ATOM 1381 O ALA A 83 -21.447 33.565 -16.184 1.00 50.35 O ATOM 1382 CB ALA A 83 -24.261 35.272 -15.547 1.00 73.22 C ATOM 0 H ALA A 83 -24.322 34.516 -13.197 1.00 72.43 H new ATOM 0 HA ALA A 83 -23.863 33.173 -15.661 1.00 40.12 H new ATOM 0 HB1 ALA A 83 -24.025 35.458 -16.595 1.00 73.22 H new ATOM 0 HB2 ALA A 83 -25.335 35.123 -15.438 1.00 73.22 H new ATOM 0 HB3 ALA A 83 -23.951 36.128 -14.948 1.00 73.22 H new ATOM 1388 N ARG A 84 -21.397 35.019 -14.466 1.00 43.41 N ATOM 1389 CA ARG A 84 -19.962 35.260 -14.569 1.00 22.00 C ATOM 1390 C ARG A 84 -19.172 34.055 -14.065 1.00 50.32 C ATOM 1391 O ARG A 84 -18.054 33.803 -14.514 1.00 60.32 O ATOM 1392 CB ARG A 84 -19.575 36.507 -13.772 1.00 63.14 C ATOM 1393 CG ARG A 84 -19.530 37.774 -14.611 1.00 2.54 C ATOM 1394 CD ARG A 84 -19.217 38.994 -13.758 1.00 52.02 C ATOM 1395 NE ARG A 84 -18.860 40.153 -14.572 1.00 1.32 N ATOM 1396 CZ ARG A 84 -18.264 41.237 -14.086 1.00 74.05 C ATOM 1397 NH1 ARG A 84 -17.960 41.309 -12.798 1.00 22.22 N ATOM 1398 NH2 ARG A 84 -17.971 42.250 -14.890 1.00 52.23 N ATOM 0 H ARG A 84 -21.860 35.539 -13.720 1.00 43.41 H new ATOM 0 HA ARG A 84 -19.719 35.419 -15.620 1.00 22.00 H new ATOM 0 HB2 ARG A 84 -20.288 36.644 -12.959 1.00 63.14 H new ATOM 0 HB3 ARG A 84 -18.598 36.348 -13.316 1.00 63.14 H new ATOM 0 HG2 ARG A 84 -18.775 37.670 -15.390 1.00 2.54 H new ATOM 0 HG3 ARG A 84 -20.488 37.915 -15.112 1.00 2.54 H new ATOM 0 HD2 ARG A 84 -20.082 39.237 -13.141 1.00 52.02 H new ATOM 0 HD3 ARG A 84 -18.397 38.761 -13.079 1.00 52.02 H new ATOM 0 HE ARG A 84 -19.080 40.129 -15.568 1.00 1.32 H new ATOM 0 HH11 ARG A 84 -18.183 40.531 -12.177 1.00 22.22 H new ATOM 0 HH12 ARG A 84 -17.503 42.142 -12.428 1.00 22.22 H new ATOM 0 HH21 ARG A 84 -18.203 42.197 -15.882 1.00 52.23 H new ATOM 0 HH22 ARG A 84 -17.514 43.082 -14.517 1.00 52.23 H new ATOM 1412 N GLN A 85 -19.759 33.317 -13.129 1.00 53.31 N ATOM 1413 CA GLN A 85 -19.109 32.141 -12.564 1.00 15.33 C ATOM 1414 C GLN A 85 -18.777 31.127 -13.653 1.00 1.14 C ATOM 1415 O GLN A 85 -17.624 30.721 -13.807 1.00 32.33 O ATOM 1416 CB GLN A 85 -20.006 31.496 -11.505 1.00 50.02 C ATOM 1417 CG GLN A 85 -19.388 30.272 -10.849 1.00 64.03 C ATOM 1418 CD GLN A 85 -19.502 30.299 -9.338 1.00 0.12 C ATOM 1419 OE1 GLN A 85 -18.503 30.424 -8.630 1.00 62.21 O ATOM 1420 NE2 GLN A 85 -20.726 30.184 -8.834 1.00 63.22 N ATOM 0 H GLN A 85 -20.684 33.513 -12.746 1.00 53.31 H new ATOM 0 HA GLN A 85 -18.178 32.461 -12.095 1.00 15.33 H new ATOM 0 HB2 GLN A 85 -20.235 32.234 -10.736 1.00 50.02 H new ATOM 0 HB3 GLN A 85 -20.952 31.212 -11.966 1.00 50.02 H new ATOM 0 HG2 GLN A 85 -19.876 29.375 -11.230 1.00 64.03 H new ATOM 0 HG3 GLN A 85 -18.337 30.206 -11.129 1.00 64.03 H new ATOM 0 HE21 GLN A 85 -21.527 30.082 -9.458 1.00 63.22 H new ATOM 0 HE22 GLN A 85 -20.865 30.197 -7.824 1.00 63.22 H new ATOM 1429 N LEU A 86 -19.792 30.721 -14.407 1.00 14.25 N ATOM 1430 CA LEU A 86 -19.608 29.753 -15.483 1.00 11.12 C ATOM 1431 C LEU A 86 -19.096 30.436 -16.747 1.00 23.41 C ATOM 1432 O LEU A 86 -18.565 29.783 -17.644 1.00 65.11 O ATOM 1433 CB LEU A 86 -20.924 29.032 -15.776 1.00 34.21 C ATOM 1434 CG LEU A 86 -21.156 27.722 -15.021 1.00 11.33 C ATOM 1435 CD1 LEU A 86 -20.046 26.728 -15.325 1.00 20.22 C ATOM 1436 CD2 LEU A 86 -21.249 27.980 -13.524 1.00 21.45 C ATOM 0 H LEU A 86 -20.752 31.047 -14.293 1.00 14.25 H new ATOM 0 HA LEU A 86 -18.865 29.023 -15.160 1.00 11.12 H new ATOM 0 HB2 LEU A 86 -21.746 29.711 -15.546 1.00 34.21 H new ATOM 0 HB3 LEU A 86 -20.971 28.825 -16.845 1.00 34.21 H new ATOM 0 HG LEU A 86 -22.101 27.293 -15.355 1.00 11.33 H new ATOM 0 HD11 LEU A 86 -20.227 25.802 -14.779 1.00 20.22 H new ATOM 0 HD12 LEU A 86 -20.026 26.521 -16.395 1.00 20.22 H new ATOM 0 HD13 LEU A 86 -19.088 27.148 -15.019 1.00 20.22 H new ATOM 0 HD21 LEU A 86 -21.414 27.038 -13.002 1.00 21.45 H new ATOM 0 HD22 LEU A 86 -20.320 28.431 -13.174 1.00 21.45 H new ATOM 0 HD23 LEU A 86 -22.079 28.657 -13.322 1.00 21.45 H new ATOM 1448 N GLY A 87 -19.257 31.754 -16.809 1.00 34.42 N ATOM 1449 CA GLY A 87 -18.803 32.503 -17.966 1.00 73.35 C ATOM 1450 C GLY A 87 -19.801 32.466 -19.108 1.00 64.31 C ATOM 1451 O GLY A 87 -19.415 32.406 -20.275 1.00 65.15 O ATOM 0 H GLY A 87 -19.694 32.316 -16.079 1.00 34.42 H new ATOM 0 HA2 GLY A 87 -18.624 33.539 -17.677 1.00 73.35 H new ATOM 0 HA3 GLY A 87 -17.850 32.098 -18.307 1.00 73.35 H new ATOM 1455 N ARG A 88 -21.085 32.500 -18.771 1.00 71.10 N ATOM 1456 CA ARG A 88 -22.140 32.466 -19.776 1.00 55.12 C ATOM 1457 C ARG A 88 -22.818 33.829 -19.899 1.00 44.04 C ATOM 1458 O ARG A 88 -22.851 34.620 -18.956 1.00 65.44 O ATOM 1459 CB ARG A 88 -23.178 31.399 -19.423 1.00 55.42 C ATOM 1460 CG ARG A 88 -22.588 30.009 -19.254 1.00 33.12 C ATOM 1461 CD ARG A 88 -22.062 29.463 -20.573 1.00 0.12 C ATOM 1462 NE ARG A 88 -20.621 29.233 -20.534 1.00 1.20 N ATOM 1463 CZ ARG A 88 -20.059 28.189 -19.933 1.00 50.40 C ATOM 1464 NH1 ARG A 88 -20.813 27.285 -19.324 1.00 60.14 N ATOM 1465 NH2 ARG A 88 -18.739 28.049 -19.941 1.00 40.22 N ATOM 0 H ARG A 88 -21.420 32.551 -17.809 1.00 71.10 H new ATOM 0 HA ARG A 88 -21.685 32.217 -20.735 1.00 55.12 H new ATOM 0 HB2 ARG A 88 -23.682 31.685 -18.500 1.00 55.42 H new ATOM 0 HB3 ARG A 88 -23.937 31.370 -20.205 1.00 55.42 H new ATOM 0 HG2 ARG A 88 -21.779 30.042 -18.524 1.00 33.12 H new ATOM 0 HG3 ARG A 88 -23.348 29.336 -18.857 1.00 33.12 H new ATOM 0 HD2 ARG A 88 -22.572 28.529 -20.808 1.00 0.12 H new ATOM 0 HD3 ARG A 88 -22.296 30.164 -21.374 1.00 0.12 H new ATOM 0 HE ARG A 88 -20.012 29.910 -20.993 1.00 1.20 H new ATOM 0 HH11 ARG A 88 -21.828 27.389 -19.316 1.00 60.14 H new ATOM 0 HH12 ARG A 88 -20.379 26.485 -18.864 1.00 60.14 H new ATOM 0 HH21 ARG A 88 -18.155 28.743 -20.408 1.00 40.22 H new ATOM 0 HH22 ARG A 88 -18.308 27.248 -19.480 1.00 40.22 H new ATOM 1479 N PRO A 89 -23.370 34.110 -21.088 1.00 50.51 N ATOM 1480 CA PRO A 89 -24.056 35.376 -21.362 1.00 41.05 C ATOM 1481 C PRO A 89 -25.377 35.495 -20.611 1.00 30.15 C ATOM 1482 O PRO A 89 -25.627 36.488 -19.930 1.00 41.32 O ATOM 1483 CB PRO A 89 -24.302 35.326 -22.873 1.00 31.32 C ATOM 1484 CG PRO A 89 -24.331 33.874 -23.204 1.00 11.44 C ATOM 1485 CD PRO A 89 -23.368 33.214 -22.257 1.00 1.13 C ATOM 0 HA PRO A 89 -23.468 36.236 -21.040 1.00 41.05 H new ATOM 0 HB2 PRO A 89 -25.242 35.811 -23.137 1.00 31.32 H new ATOM 0 HB3 PRO A 89 -23.512 35.841 -23.420 1.00 31.32 H new ATOM 0 HG2 PRO A 89 -25.335 33.467 -23.086 1.00 11.44 H new ATOM 0 HG3 PRO A 89 -24.038 33.704 -24.240 1.00 11.44 H new ATOM 0 HD2 PRO A 89 -23.691 32.207 -21.992 1.00 1.13 H new ATOM 0 HD3 PRO A 89 -22.373 33.125 -22.693 1.00 1.13 H new ATOM 1493 N GLU A 90 -26.219 34.474 -20.739 1.00 3.15 N ATOM 1494 CA GLU A 90 -27.515 34.464 -20.071 1.00 14.10 C ATOM 1495 C GLU A 90 -28.327 33.239 -20.476 1.00 32.25 C ATOM 1496 O GLU A 90 -28.934 32.576 -19.634 1.00 60.25 O ATOM 1497 CB GLU A 90 -28.294 35.739 -20.404 1.00 1.24 C ATOM 1498 CG GLU A 90 -28.624 36.586 -19.186 1.00 14.35 C ATOM 1499 CD GLU A 90 -28.582 38.073 -19.480 1.00 62.32 C ATOM 1500 OE1 GLU A 90 -27.598 38.528 -20.099 1.00 33.31 O ATOM 1501 OE2 GLU A 90 -29.535 38.780 -19.092 1.00 53.44 O ATOM 0 H GLU A 90 -26.027 33.643 -21.299 1.00 3.15 H new ATOM 0 HA GLU A 90 -27.341 34.423 -18.996 1.00 14.10 H new ATOM 0 HB2 GLU A 90 -27.713 36.337 -21.105 1.00 1.24 H new ATOM 0 HB3 GLU A 90 -29.221 35.467 -20.909 1.00 1.24 H new ATOM 0 HG2 GLU A 90 -29.616 36.320 -18.821 1.00 14.35 H new ATOM 0 HG3 GLU A 90 -27.918 36.357 -18.387 1.00 14.35 H new ATOM 1508 N SER A 91 -28.335 32.943 -21.771 1.00 74.14 N ATOM 1509 CA SER A 91 -29.076 31.799 -22.291 1.00 34.31 C ATOM 1510 C SER A 91 -28.733 30.532 -21.515 1.00 64.32 C ATOM 1511 O SER A 91 -29.617 29.836 -21.013 1.00 60.21 O ATOM 1512 CB SER A 91 -28.773 31.600 -23.777 1.00 31.35 C ATOM 1513 OG SER A 91 -29.944 31.748 -24.562 1.00 11.54 O ATOM 0 H SER A 91 -27.836 33.480 -22.481 1.00 74.14 H new ATOM 0 HA SER A 91 -30.140 32.001 -22.170 1.00 34.31 H new ATOM 0 HB2 SER A 91 -28.023 32.323 -24.098 1.00 31.35 H new ATOM 0 HB3 SER A 91 -28.349 30.608 -23.935 1.00 31.35 H new ATOM 0 HG SER A 91 -29.722 31.618 -25.508 1.00 11.54 H new ATOM 1519 N THR A 92 -27.440 30.235 -21.421 1.00 43.01 N ATOM 1520 CA THR A 92 -26.977 29.051 -20.707 1.00 41.15 C ATOM 1521 C THR A 92 -27.584 28.978 -19.312 1.00 10.12 C ATOM 1522 O THR A 92 -28.142 27.952 -18.920 1.00 44.31 O ATOM 1523 CB THR A 92 -25.442 29.032 -20.589 1.00 61.33 C ATOM 1524 OG1 THR A 92 -24.848 29.358 -21.851 1.00 51.23 O ATOM 1525 CG2 THR A 92 -24.952 27.666 -20.132 1.00 4.34 C ATOM 0 H THR A 92 -26.695 30.798 -21.831 1.00 43.01 H new ATOM 0 HA THR A 92 -27.300 28.186 -21.286 1.00 41.15 H new ATOM 0 HB THR A 92 -25.148 29.775 -19.847 1.00 61.33 H new ATOM 0 HG1 THR A 92 -24.285 28.613 -22.150 1.00 51.23 H new ATOM 0 HG21 THR A 92 -23.865 27.676 -20.056 1.00 4.34 H new ATOM 0 HG22 THR A 92 -25.382 27.432 -19.158 1.00 4.34 H new ATOM 0 HG23 THR A 92 -25.258 26.909 -20.854 1.00 4.34 H new ATOM 1533 N ILE A 93 -27.473 30.072 -18.565 1.00 5.13 N ATOM 1534 CA ILE A 93 -28.013 30.130 -17.212 1.00 40.21 C ATOM 1535 C ILE A 93 -29.530 29.972 -17.218 1.00 41.03 C ATOM 1536 O ILE A 93 -30.096 29.290 -16.364 1.00 34.21 O ATOM 1537 CB ILE A 93 -27.649 31.456 -16.518 1.00 15.15 C ATOM 1538 CG1 ILE A 93 -26.129 31.620 -16.447 1.00 31.14 C ATOM 1539 CG2 ILE A 93 -28.259 31.509 -15.126 1.00 12.24 C ATOM 1540 CD1 ILE A 93 -25.445 30.549 -15.626 1.00 10.13 C ATOM 0 H ILE A 93 -27.014 30.929 -18.874 1.00 5.13 H new ATOM 0 HA ILE A 93 -27.567 29.304 -16.658 1.00 40.21 H new ATOM 0 HB ILE A 93 -28.057 32.280 -17.104 1.00 15.15 H new ATOM 0 HG12 ILE A 93 -25.722 31.607 -17.458 1.00 31.14 H new ATOM 0 HG13 ILE A 93 -25.896 32.597 -16.022 1.00 31.14 H new ATOM 0 HG21 ILE A 93 -27.993 32.452 -14.648 1.00 12.24 H new ATOM 0 HG22 ILE A 93 -29.344 31.433 -15.201 1.00 12.24 H new ATOM 0 HG23 ILE A 93 -27.878 30.680 -14.530 1.00 12.24 H new ATOM 0 HD11 ILE A 93 -24.370 30.727 -15.619 1.00 10.13 H new ATOM 0 HD12 ILE A 93 -25.824 30.576 -14.604 1.00 10.13 H new ATOM 0 HD13 ILE A 93 -25.648 29.571 -16.063 1.00 10.13 H new ATOM 1552 N TYR A 94 -30.181 30.605 -18.188 1.00 44.04 N ATOM 1553 CA TYR A 94 -31.633 30.535 -18.306 1.00 62.42 C ATOM 1554 C TYR A 94 -32.088 29.108 -18.596 1.00 60.31 C ATOM 1555 O TYR A 94 -33.129 28.666 -18.111 1.00 75.23 O ATOM 1556 CB TYR A 94 -32.122 31.473 -19.411 1.00 65.25 C ATOM 1557 CG TYR A 94 -33.020 32.581 -18.912 1.00 34.24 C ATOM 1558 CD1 TYR A 94 -32.522 33.597 -18.105 1.00 54.24 C ATOM 1559 CD2 TYR A 94 -34.369 32.612 -19.247 1.00 1.35 C ATOM 1560 CE1 TYR A 94 -33.341 34.610 -17.647 1.00 3.52 C ATOM 1561 CE2 TYR A 94 -35.194 33.622 -18.792 1.00 53.25 C ATOM 1562 CZ TYR A 94 -34.676 34.619 -17.993 1.00 32.21 C ATOM 1563 OH TYR A 94 -35.494 35.628 -17.538 1.00 71.23 O ATOM 0 H TYR A 94 -29.726 31.172 -18.904 1.00 44.04 H new ATOM 0 HA TYR A 94 -32.065 30.848 -17.355 1.00 62.42 H new ATOM 0 HB2 TYR A 94 -31.259 31.913 -19.910 1.00 65.25 H new ATOM 0 HB3 TYR A 94 -32.660 30.890 -20.159 1.00 65.25 H new ATOM 0 HD1 TYR A 94 -31.477 33.594 -17.832 1.00 54.24 H new ATOM 0 HD2 TYR A 94 -34.779 31.833 -19.873 1.00 1.35 H new ATOM 0 HE1 TYR A 94 -32.938 35.392 -17.021 1.00 3.52 H new ATOM 0 HE2 TYR A 94 -36.240 33.631 -19.061 1.00 53.25 H new ATOM 0 HH TYR A 94 -36.404 35.487 -17.873 1.00 71.23 H new