USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 550 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 47 THR OG1 : rot 23:sc= 0.0996 USER MOD Set 1.2: A 83 SER OG : rot -62:sc= 0.696 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -89:sc= 0.251 USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -0.877 (180deg=-1.39) USER MOD Single : A 45 SER OG : rot 180:sc= -0.662 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.877 X(o=-0.88,f=-0.38) USER MOD Single : A 55 SER OG : rot -140:sc=-0.00542 USER MOD Single : A 75 THR OG1 : rot -35:sc= -0.0159 USER MOD Single : A 76 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-4.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 20:sc= 0.831! USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= -0.127 (180deg=-0.577) USER MOD Single : A 95 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.7) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -89:sc= 1.67 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 114 SER OG : rot 54:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -148:sc= -1.65 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 118 LYS NZ :NH3+ -170:sc= 0.364 (180deg=0.311) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0246 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 0.473 6.703 8.757 1.00 65.35 N ATOM 154 CA ALA A 35 0.302 5.706 7.707 1.00 42.30 C ATOM 155 C ALA A 35 -1.022 4.967 7.863 1.00 63.15 C ATOM 156 O ALA A 35 -1.713 4.700 6.879 1.00 22.00 O ATOM 157 CB ALA A 35 1.463 4.722 7.720 1.00 44.12 C ATOM 0 HA ALA A 35 0.289 6.223 6.747 1.00 42.30 H new ATOM 0 HB1 ALA A 35 1.323 3.983 6.931 1.00 44.12 H new ATOM 0 HB2 ALA A 35 2.397 5.259 7.552 1.00 44.12 H new ATOM 0 HB3 ALA A 35 1.502 4.218 8.686 1.00 44.12 H new ATOM 163 N ILE A 36 -1.370 4.639 9.102 1.00 65.11 N ATOM 164 CA ILE A 36 -2.612 3.931 9.385 1.00 62.54 C ATOM 165 C ILE A 36 -3.806 4.646 8.765 1.00 40.22 C ATOM 166 O ILE A 36 -4.816 4.024 8.436 1.00 64.42 O ATOM 167 CB ILE A 36 -2.844 3.785 10.900 1.00 72.22 C ATOM 168 CG1 ILE A 36 -3.383 5.092 11.483 1.00 52.53 C ATOM 169 CG2 ILE A 36 -1.554 3.380 11.598 1.00 73.53 C ATOM 170 CD1 ILE A 36 -4.881 5.090 11.692 1.00 72.31 C ATOM 0 H ILE A 36 -0.809 4.852 9.927 1.00 65.11 H new ATOM 0 HA ILE A 36 -2.517 2.939 8.943 1.00 62.54 H new ATOM 0 HB ILE A 36 -3.584 3.002 11.065 1.00 72.22 H new ATOM 0 HG12 ILE A 36 -2.892 5.284 12.437 1.00 52.53 H new ATOM 0 HG13 ILE A 36 -3.119 5.913 10.817 1.00 52.53 H new ATOM 0 HG21 ILE A 36 -1.735 3.281 12.668 1.00 73.53 H new ATOM 0 HG22 ILE A 36 -1.208 2.427 11.199 1.00 73.53 H new ATOM 0 HG23 ILE A 36 -0.793 4.142 11.428 1.00 73.53 H new ATOM 0 HD11 ILE A 36 -5.192 6.049 12.108 1.00 72.31 H new ATOM 0 HD12 ILE A 36 -5.381 4.929 10.737 1.00 72.31 H new ATOM 0 HD13 ILE A 36 -5.151 4.291 12.382 1.00 72.31 H new ATOM 182 N LYS A 37 -3.684 5.961 8.605 1.00 34.54 N ATOM 183 CA LYS A 37 -4.752 6.763 8.021 1.00 52.43 C ATOM 184 C LYS A 37 -5.018 6.348 6.577 1.00 12.13 C ATOM 185 O LYS A 37 -6.169 6.222 6.160 1.00 41.31 O ATOM 186 CB LYS A 37 -4.389 8.249 8.077 1.00 70.43 C ATOM 187 CG LYS A 37 -4.151 8.764 9.486 1.00 42.43 C ATOM 188 CD LYS A 37 -5.073 9.925 9.819 1.00 14.34 C ATOM 189 CE LYS A 37 -6.295 9.461 10.595 1.00 35.34 C ATOM 190 NZ LYS A 37 -5.998 9.285 12.045 1.00 52.52 N ATOM 0 H LYS A 37 -2.856 6.493 8.872 1.00 34.54 H new ATOM 0 HA LYS A 37 -5.659 6.594 8.601 1.00 52.43 H new ATOM 0 HB2 LYS A 37 -3.492 8.418 7.481 1.00 70.43 H new ATOM 0 HB3 LYS A 37 -5.191 8.828 7.618 1.00 70.43 H new ATOM 0 HG2 LYS A 37 -4.309 7.956 10.201 1.00 42.43 H new ATOM 0 HG3 LYS A 37 -3.113 9.082 9.588 1.00 42.43 H new ATOM 0 HD2 LYS A 37 -4.529 10.667 10.404 1.00 14.34 H new ATOM 0 HD3 LYS A 37 -5.390 10.415 8.898 1.00 14.34 H new ATOM 0 HE2 LYS A 37 -7.099 10.187 10.475 1.00 35.34 H new ATOM 0 HE3 LYS A 37 -6.652 8.518 10.180 1.00 35.34 H new ATOM 0 HZ1 LYS A 37 -6.856 8.968 12.539 1.00 52.52 H new ATOM 0 HZ2 LYS A 37 -5.248 8.574 12.162 1.00 52.52 H new ATOM 0 HZ3 LYS A 37 -5.682 10.190 12.447 1.00 52.52 H new ATOM 204 N SER A 38 -3.946 6.135 5.821 1.00 64.22 N ATOM 205 CA SER A 38 -4.064 5.736 4.424 1.00 74.15 C ATOM 206 C SER A 38 -4.671 4.341 4.306 1.00 30.21 C ATOM 207 O SER A 38 -5.498 4.082 3.432 1.00 42.11 O ATOM 208 CB SER A 38 -2.693 5.767 3.745 1.00 33.20 C ATOM 209 OG SER A 38 -2.247 7.099 3.557 1.00 61.32 O ATOM 0 H SER A 38 -2.986 6.232 6.152 1.00 64.22 H new ATOM 0 HA SER A 38 -4.725 6.444 3.925 1.00 74.15 H new ATOM 0 HB2 SER A 38 -1.971 5.221 4.352 1.00 33.20 H new ATOM 0 HB3 SER A 38 -2.749 5.260 2.782 1.00 33.20 H new ATOM 0 HG SER A 38 -2.562 7.430 2.690 1.00 61.32 H new ATOM 215 N LYS A 39 -4.254 3.445 5.194 1.00 23.45 N ATOM 216 CA LYS A 39 -4.756 2.076 5.193 1.00 23.52 C ATOM 217 C LYS A 39 -6.262 2.048 5.430 1.00 23.43 C ATOM 218 O LYS A 39 -6.991 1.313 4.765 1.00 73.31 O ATOM 219 CB LYS A 39 -4.044 1.249 6.267 1.00 11.54 C ATOM 220 CG LYS A 39 -2.571 1.586 6.417 1.00 61.24 C ATOM 221 CD LYS A 39 -1.842 0.542 7.247 1.00 44.12 C ATOM 222 CE LYS A 39 -2.484 0.369 8.614 1.00 74.22 C ATOM 223 NZ LYS A 39 -1.496 0.533 9.716 1.00 33.10 N ATOM 0 H LYS A 39 -3.569 3.642 5.924 1.00 23.45 H new ATOM 0 HA LYS A 39 -4.552 1.642 4.214 1.00 23.52 H new ATOM 0 HB2 LYS A 39 -4.543 1.405 7.224 1.00 11.54 H new ATOM 0 HB3 LYS A 39 -4.143 0.191 6.024 1.00 11.54 H new ATOM 0 HG2 LYS A 39 -2.110 1.655 5.432 1.00 61.24 H new ATOM 0 HG3 LYS A 39 -2.467 2.564 6.887 1.00 61.24 H new ATOM 0 HD2 LYS A 39 -1.846 -0.412 6.719 1.00 44.12 H new ATOM 0 HD3 LYS A 39 -0.799 0.835 7.368 1.00 44.12 H new ATOM 0 HE2 LYS A 39 -3.286 1.098 8.734 1.00 74.22 H new ATOM 0 HE3 LYS A 39 -2.939 -0.619 8.679 1.00 74.22 H new ATOM 0 HZ1 LYS A 39 -1.999 0.628 10.622 1.00 33.10 H new ATOM 0 HZ2 LYS A 39 -0.874 -0.299 9.751 1.00 33.10 H new ATOM 0 HZ3 LYS A 39 -0.925 1.385 9.546 1.00 33.10 H new ATOM 237 N VAL A 40 -6.722 2.854 6.382 1.00 21.21 N ATOM 238 CA VAL A 40 -8.142 2.924 6.705 1.00 41.24 C ATOM 239 C VAL A 40 -8.964 3.320 5.484 1.00 41.22 C ATOM 240 O VAL A 40 -10.074 2.828 5.284 1.00 63.52 O ATOM 241 CB VAL A 40 -8.411 3.929 7.840 1.00 13.32 C ATOM 242 CG1 VAL A 40 -9.904 4.180 7.989 1.00 63.32 C ATOM 243 CG2 VAL A 40 -7.813 3.430 9.146 1.00 61.10 C ATOM 0 H VAL A 40 -6.131 3.468 6.943 1.00 21.21 H new ATOM 0 HA VAL A 40 -8.441 1.929 7.034 1.00 41.24 H new ATOM 0 HB VAL A 40 -7.932 4.874 7.585 1.00 13.32 H new ATOM 0 HG11 VAL A 40 -10.074 4.893 8.796 1.00 63.32 H new ATOM 0 HG12 VAL A 40 -10.300 4.585 7.058 1.00 63.32 H new ATOM 0 HG13 VAL A 40 -10.409 3.242 8.220 1.00 63.32 H new ATOM 0 HG21 VAL A 40 -8.013 4.153 9.937 1.00 61.10 H new ATOM 0 HG22 VAL A 40 -8.261 2.472 9.409 1.00 61.10 H new ATOM 0 HG23 VAL A 40 -6.736 3.308 9.030 1.00 61.10 H new ATOM 253 N GLU A 41 -8.411 4.215 4.670 1.00 33.23 N ATOM 254 CA GLU A 41 -9.095 4.678 3.467 1.00 21.54 C ATOM 255 C GLU A 41 -9.374 3.516 2.519 1.00 1.13 C ATOM 256 O GLU A 41 -10.310 3.564 1.721 1.00 22.41 O ATOM 257 CB GLU A 41 -8.257 5.742 2.756 1.00 21.40 C ATOM 258 CG GLU A 41 -7.439 5.197 1.597 1.00 52.41 C ATOM 259 CD GLU A 41 -8.230 5.131 0.305 1.00 21.41 C ATOM 260 OE1 GLU A 41 -8.676 6.196 -0.172 1.00 53.01 O ATOM 261 OE2 GLU A 41 -8.403 4.016 -0.229 1.00 34.51 O ATOM 0 H GLU A 41 -7.493 4.633 4.821 1.00 33.23 H new ATOM 0 HA GLU A 41 -10.047 5.116 3.766 1.00 21.54 H new ATOM 0 HB2 GLU A 41 -8.918 6.526 2.386 1.00 21.40 H new ATOM 0 HB3 GLU A 41 -7.585 6.206 3.478 1.00 21.40 H new ATOM 0 HG2 GLU A 41 -6.561 5.826 1.449 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -7.078 4.200 1.849 1.00 52.41 H new ATOM 268 N ALA A 42 -8.555 2.473 2.612 1.00 73.11 N ATOM 269 CA ALA A 42 -8.714 1.298 1.764 1.00 32.21 C ATOM 270 C ALA A 42 -9.594 0.251 2.438 1.00 71.32 C ATOM 271 O ALA A 42 -10.170 -0.611 1.773 1.00 2.43 O ATOM 272 CB ALA A 42 -7.356 0.708 1.420 1.00 23.30 C ATOM 0 H ALA A 42 -7.775 2.418 3.266 1.00 73.11 H new ATOM 0 HA ALA A 42 -9.206 1.609 0.842 1.00 32.21 H new ATOM 0 HB1 ALA A 42 -7.490 -0.169 0.786 1.00 23.30 H new ATOM 0 HB2 ALA A 42 -6.760 1.451 0.890 1.00 23.30 H new ATOM 0 HB3 ALA A 42 -6.843 0.418 2.337 1.00 23.30 H new ATOM 278 N ALA A 43 -9.693 0.328 3.761 1.00 5.32 N ATOM 279 CA ALA A 43 -10.502 -0.612 4.524 1.00 71.42 C ATOM 280 C ALA A 43 -11.969 -0.533 4.114 1.00 1.23 C ATOM 281 O ALA A 43 -12.733 -1.478 4.313 1.00 13.15 O ATOM 282 CB ALA A 43 -10.354 -0.349 6.014 1.00 33.13 C ATOM 0 H ALA A 43 -9.222 1.034 4.327 1.00 5.32 H new ATOM 0 HA ALA A 43 -10.145 -1.619 4.307 1.00 71.42 H new ATOM 0 HB1 ALA A 43 -10.965 -1.059 6.571 1.00 33.13 H new ATOM 0 HB2 ALA A 43 -9.309 -0.465 6.302 1.00 33.13 H new ATOM 0 HB3 ALA A 43 -10.682 0.666 6.239 1.00 33.13 H new ATOM 288 N LEU A 44 -12.357 0.601 3.541 1.00 44.42 N ATOM 289 CA LEU A 44 -13.734 0.806 3.102 1.00 20.04 C ATOM 290 C LEU A 44 -14.130 -0.227 2.053 1.00 65.43 C ATOM 291 O LEU A 44 -15.312 -0.513 1.863 1.00 2.13 O ATOM 292 CB LEU A 44 -13.906 2.216 2.537 1.00 4.13 C ATOM 293 CG LEU A 44 -13.590 3.366 3.494 1.00 2.33 C ATOM 294 CD1 LEU A 44 -13.801 4.707 2.807 1.00 23.33 C ATOM 295 CD2 LEU A 44 -14.448 3.267 4.748 1.00 73.00 C ATOM 0 H LEU A 44 -11.738 1.393 3.369 1.00 44.42 H new ATOM 0 HA LEU A 44 -14.387 0.687 3.967 1.00 20.04 H new ATOM 0 HB2 LEU A 44 -13.267 2.314 1.659 1.00 4.13 H new ATOM 0 HB3 LEU A 44 -14.935 2.326 2.196 1.00 4.13 H new ATOM 0 HG LEU A 44 -12.543 3.292 3.787 1.00 2.33 H new ATOM 0 HD11 LEU A 44 -13.571 5.513 3.504 1.00 23.33 H new ATOM 0 HD12 LEU A 44 -13.145 4.779 1.940 1.00 23.33 H new ATOM 0 HD13 LEU A 44 -14.839 4.791 2.484 1.00 23.33 H new ATOM 0 HD21 LEU A 44 -14.210 4.093 5.418 1.00 73.00 H new ATOM 0 HD22 LEU A 44 -15.502 3.315 4.473 1.00 73.00 H new ATOM 0 HD23 LEU A 44 -14.248 2.322 5.252 1.00 73.00 H new ATOM 307 N SER A 45 -13.133 -0.785 1.373 1.00 21.31 N ATOM 308 CA SER A 45 -13.377 -1.786 0.341 1.00 53.55 C ATOM 309 C SER A 45 -12.858 -3.153 0.775 1.00 11.33 C ATOM 310 O SER A 45 -12.023 -3.272 1.673 1.00 41.14 O ATOM 311 CB SER A 45 -12.712 -1.368 -0.972 1.00 44.11 C ATOM 312 OG SER A 45 -13.674 -1.191 -1.998 1.00 64.40 O ATOM 0 H SER A 45 -12.149 -0.561 1.518 1.00 21.31 H new ATOM 0 HA SER A 45 -14.454 -1.858 0.188 1.00 53.55 H new ATOM 0 HB2 SER A 45 -12.159 -0.440 -0.824 1.00 44.11 H new ATOM 0 HB3 SER A 45 -11.989 -2.125 -1.274 1.00 44.11 H new ATOM 0 HG SER A 45 -13.224 -0.922 -2.826 1.00 64.40 H new ATOM 318 N PRO A 46 -13.362 -4.211 0.123 1.00 15.44 N ATOM 319 CA PRO A 46 -12.963 -5.589 0.424 1.00 60.15 C ATOM 320 C PRO A 46 -11.530 -5.885 -0.005 1.00 43.43 C ATOM 321 O PRO A 46 -11.251 -6.072 -1.191 1.00 13.34 O ATOM 322 CB PRO A 46 -13.950 -6.429 -0.392 1.00 62.53 C ATOM 323 CG PRO A 46 -14.367 -5.541 -1.512 1.00 54.14 C ATOM 324 CD PRO A 46 -14.360 -4.144 -0.958 1.00 51.23 C ATOM 0 HA PRO A 46 -12.987 -5.796 1.494 1.00 60.15 H new ATOM 0 HB2 PRO A 46 -13.482 -7.341 -0.763 1.00 62.53 H new ATOM 0 HB3 PRO A 46 -14.805 -6.733 0.212 1.00 62.53 H new ATOM 0 HG2 PRO A 46 -13.683 -5.630 -2.356 1.00 54.14 H new ATOM 0 HG3 PRO A 46 -15.358 -5.811 -1.876 1.00 54.14 H new ATOM 0 HD2 PRO A 46 -14.082 -3.412 -1.717 1.00 51.23 H new ATOM 0 HD3 PRO A 46 -15.342 -3.856 -0.582 1.00 51.23 H new ATOM 332 N THR A 47 -10.623 -5.926 0.966 1.00 13.24 N ATOM 333 CA THR A 47 -9.218 -6.199 0.689 1.00 13.32 C ATOM 334 C THR A 47 -8.411 -6.285 1.979 1.00 31.41 C ATOM 335 O THR A 47 -8.952 -6.132 3.074 1.00 32.23 O ATOM 336 CB THR A 47 -8.605 -5.114 -0.216 1.00 45.22 C ATOM 337 OG1 THR A 47 -7.307 -5.526 -0.662 1.00 14.42 O ATOM 338 CG2 THR A 47 -8.495 -3.790 0.523 1.00 2.25 C ATOM 0 H THR A 47 -10.836 -5.774 1.952 1.00 13.24 H new ATOM 0 HA THR A 47 -9.176 -7.158 0.173 1.00 13.32 H new ATOM 0 HB THR A 47 -9.260 -4.977 -1.077 1.00 45.22 H new ATOM 0 HG1 THR A 47 -7.237 -6.502 -0.608 1.00 14.42 H new ATOM 0 HG21 THR A 47 -8.059 -3.040 -0.137 1.00 2.25 H new ATOM 0 HG22 THR A 47 -9.487 -3.465 0.837 1.00 2.25 H new ATOM 0 HG23 THR A 47 -7.860 -3.914 1.400 1.00 2.25 H new ATOM 346 N HIS A 48 -7.112 -6.531 1.843 1.00 45.22 N ATOM 347 CA HIS A 48 -6.228 -6.637 2.999 1.00 75.22 C ATOM 348 C HIS A 48 -5.011 -5.731 2.837 1.00 43.02 C ATOM 349 O HIS A 48 -4.292 -5.813 1.841 1.00 3.20 O ATOM 350 CB HIS A 48 -5.779 -8.085 3.192 1.00 25.20 C ATOM 351 CG HIS A 48 -4.736 -8.251 4.255 1.00 73.32 C ATOM 352 ND1 HIS A 48 -4.908 -7.815 5.552 1.00 73.22 N ATOM 353 CD2 HIS A 48 -3.505 -8.812 4.208 1.00 61.41 C ATOM 354 CE1 HIS A 48 -3.826 -8.099 6.256 1.00 55.40 C ATOM 355 NE2 HIS A 48 -2.961 -8.704 5.465 1.00 63.34 N ATOM 0 H HIS A 48 -6.648 -6.661 0.944 1.00 45.22 H new ATOM 0 HA HIS A 48 -6.783 -6.316 3.881 1.00 75.22 H new ATOM 0 HB2 HIS A 48 -6.646 -8.695 3.446 1.00 25.20 H new ATOM 0 HB3 HIS A 48 -5.388 -8.465 2.248 1.00 25.20 H new ATOM 0 HD2 HIS A 48 -3.038 -9.261 3.344 1.00 61.41 H new ATOM 0 HE1 HIS A 48 -3.676 -7.874 7.302 1.00 55.40 H new ATOM 0 HE2 HIS A 48 -2.038 -9.038 5.742 1.00 63.34 H new ATOM 363 N PHE A 49 -4.787 -4.867 3.821 1.00 1.15 N ATOM 364 CA PHE A 49 -3.659 -3.945 3.788 1.00 42.43 C ATOM 365 C PHE A 49 -2.638 -4.293 4.866 1.00 33.43 C ATOM 366 O PHE A 49 -2.985 -4.457 6.037 1.00 41.13 O ATOM 367 CB PHE A 49 -4.143 -2.506 3.975 1.00 41.31 C ATOM 368 CG PHE A 49 -5.193 -2.360 5.039 1.00 3.54 C ATOM 369 CD1 PHE A 49 -4.835 -2.264 6.374 1.00 55.23 C ATOM 370 CD2 PHE A 49 -6.537 -2.318 4.705 1.00 64.52 C ATOM 371 CE1 PHE A 49 -5.799 -2.130 7.356 1.00 74.31 C ATOM 372 CE2 PHE A 49 -7.505 -2.185 5.681 1.00 5.22 C ATOM 373 CZ PHE A 49 -7.135 -2.089 7.009 1.00 34.00 C ATOM 0 H PHE A 49 -5.373 -4.786 4.652 1.00 1.15 H new ATOM 0 HA PHE A 49 -3.178 -4.036 2.814 1.00 42.43 H new ATOM 0 HB2 PHE A 49 -3.291 -1.875 4.227 1.00 41.31 H new ATOM 0 HB3 PHE A 49 -4.542 -2.140 3.029 1.00 41.31 H new ATOM 0 HD1 PHE A 49 -3.791 -2.294 6.651 1.00 55.23 H new ATOM 0 HD2 PHE A 49 -6.831 -2.390 3.668 1.00 64.52 H new ATOM 0 HE1 PHE A 49 -5.507 -2.057 8.393 1.00 74.31 H new ATOM 0 HE2 PHE A 49 -8.549 -2.156 5.407 1.00 5.22 H new ATOM 0 HZ PHE A 49 -7.890 -1.982 7.774 1.00 34.00 H new ATOM 383 N LYS A 50 -1.376 -4.408 4.465 1.00 11.23 N ATOM 384 CA LYS A 50 -0.304 -4.737 5.396 1.00 64.23 C ATOM 385 C LYS A 50 0.772 -3.655 5.390 1.00 20.14 C ATOM 386 O LYS A 50 1.461 -3.455 4.389 1.00 33.04 O ATOM 387 CB LYS A 50 0.316 -6.089 5.034 1.00 24.01 C ATOM 388 CG LYS A 50 1.478 -6.485 5.929 1.00 3.41 C ATOM 389 CD LYS A 50 2.699 -6.879 5.116 1.00 61.15 C ATOM 390 CE LYS A 50 3.521 -7.945 5.825 1.00 10.23 C ATOM 391 NZ LYS A 50 3.062 -9.319 5.484 1.00 70.24 N ATOM 0 H LYS A 50 -1.071 -4.278 3.500 1.00 11.23 H new ATOM 0 HA LYS A 50 -0.731 -4.796 6.397 1.00 64.23 H new ATOM 0 HB2 LYS A 50 -0.454 -6.859 5.090 1.00 24.01 H new ATOM 0 HB3 LYS A 50 0.659 -6.057 4.000 1.00 24.01 H new ATOM 0 HG2 LYS A 50 1.731 -5.654 6.587 1.00 3.41 H new ATOM 0 HG3 LYS A 50 1.180 -7.317 6.566 1.00 3.41 H new ATOM 0 HD2 LYS A 50 2.384 -7.250 4.141 1.00 61.15 H new ATOM 0 HD3 LYS A 50 3.318 -6.000 4.938 1.00 61.15 H new ATOM 0 HE2 LYS A 50 4.571 -7.835 5.552 1.00 10.23 H new ATOM 0 HE3 LYS A 50 3.455 -7.797 6.903 1.00 10.23 H new ATOM 0 HZ1 LYS A 50 3.648 -10.016 5.987 1.00 70.24 H new ATOM 0 HZ2 LYS A 50 2.068 -9.433 5.767 1.00 70.24 H new ATOM 0 HZ3 LYS A 50 3.149 -9.470 4.459 1.00 70.24 H new ATOM 405 N LEU A 51 0.912 -2.963 6.515 1.00 51.31 N ATOM 406 CA LEU A 51 1.906 -1.901 6.642 1.00 54.14 C ATOM 407 C LEU A 51 2.802 -2.137 7.853 1.00 50.32 C ATOM 408 O LEU A 51 2.319 -2.279 8.976 1.00 24.12 O ATOM 409 CB LEU A 51 1.216 -0.541 6.759 1.00 71.21 C ATOM 410 CG LEU A 51 2.127 0.683 6.671 1.00 52.04 C ATOM 411 CD1 LEU A 51 1.333 1.910 6.249 1.00 45.34 C ATOM 412 CD2 LEU A 51 2.823 0.928 8.001 1.00 12.14 C ATOM 0 H LEU A 51 0.351 -3.117 7.352 1.00 51.31 H new ATOM 0 HA LEU A 51 2.528 -1.909 5.747 1.00 54.14 H new ATOM 0 HB2 LEU A 51 0.466 -0.468 5.972 1.00 71.21 H new ATOM 0 HB3 LEU A 51 0.685 -0.506 7.710 1.00 71.21 H new ATOM 0 HG LEU A 51 2.889 0.491 5.916 1.00 52.04 H new ATOM 0 HD11 LEU A 51 1.998 2.772 6.192 1.00 45.34 H new ATOM 0 HD12 LEU A 51 0.883 1.734 5.272 1.00 45.34 H new ATOM 0 HD13 LEU A 51 0.549 2.105 6.980 1.00 45.34 H new ATOM 0 HD21 LEU A 51 3.467 1.803 7.919 1.00 12.14 H new ATOM 0 HD22 LEU A 51 2.076 1.099 8.776 1.00 12.14 H new ATOM 0 HD23 LEU A 51 3.425 0.058 8.262 1.00 12.14 H new ATOM 424 N ILE A 52 4.109 -2.173 7.616 1.00 30.41 N ATOM 425 CA ILE A 52 5.074 -2.387 8.688 1.00 33.43 C ATOM 426 C ILE A 52 6.120 -1.279 8.716 1.00 42.34 C ATOM 427 O ILE A 52 6.902 -1.127 7.777 1.00 22.24 O ATOM 428 CB ILE A 52 5.784 -3.746 8.544 1.00 51.11 C ATOM 429 CG1 ILE A 52 6.956 -3.840 9.522 1.00 42.42 C ATOM 430 CG2 ILE A 52 6.264 -3.943 7.113 1.00 31.12 C ATOM 431 CD1 ILE A 52 8.309 -3.696 8.860 1.00 42.22 C ATOM 0 H ILE A 52 4.524 -2.057 6.692 1.00 30.41 H new ATOM 0 HA ILE A 52 4.514 -2.377 9.623 1.00 33.43 H new ATOM 0 HB ILE A 52 5.073 -4.538 8.781 1.00 51.11 H new ATOM 0 HG12 ILE A 52 6.848 -3.066 10.281 1.00 42.42 H new ATOM 0 HG13 ILE A 52 6.913 -4.800 10.037 1.00 42.42 H new ATOM 0 HG21 ILE A 52 6.764 -4.908 7.026 1.00 31.12 H new ATOM 0 HG22 ILE A 52 5.410 -3.915 6.436 1.00 31.12 H new ATOM 0 HG23 ILE A 52 6.962 -3.148 6.851 1.00 31.12 H new ATOM 0 HD11 ILE A 52 9.093 -3.773 9.614 1.00 42.22 H new ATOM 0 HD12 ILE A 52 8.438 -4.486 8.120 1.00 42.22 H new ATOM 0 HD13 ILE A 52 8.372 -2.725 8.369 1.00 42.22 H new ATOM 443 N ASN A 53 6.130 -0.507 9.797 1.00 33.01 N ATOM 444 CA ASN A 53 7.082 0.587 9.947 1.00 21.23 C ATOM 445 C ASN A 53 8.116 0.265 11.022 1.00 14.33 C ATOM 446 O ASN A 53 7.768 -0.004 12.172 1.00 20.44 O ATOM 447 CB ASN A 53 6.350 1.884 10.301 1.00 63.41 C ATOM 448 CG ASN A 53 7.256 2.894 10.977 1.00 43.33 C ATOM 449 OD1 ASN A 53 7.400 2.895 12.199 1.00 24.03 O ATOM 450 ND2 ASN A 53 7.873 3.760 10.180 1.00 1.34 N ATOM 0 H ASN A 53 5.489 -0.619 10.583 1.00 33.01 H new ATOM 0 HA ASN A 53 7.600 0.717 8.997 1.00 21.23 H new ATOM 0 HB2 ASN A 53 5.935 2.323 9.394 1.00 63.41 H new ATOM 0 HB3 ASN A 53 5.511 1.656 10.958 1.00 63.41 H new ATOM 0 HD21 ASN A 53 8.496 4.463 10.576 1.00 1.34 H new ATOM 0 HD22 ASN A 53 7.723 3.721 9.172 1.00 1.34 H new ATOM 457 N ASP A 54 9.388 0.295 10.641 1.00 3.20 N ATOM 458 CA ASP A 54 10.473 0.008 11.572 1.00 11.30 C ATOM 459 C ASP A 54 11.476 1.157 11.607 1.00 31.21 C ATOM 460 O ASP A 54 12.685 0.943 11.512 1.00 71.33 O ATOM 461 CB ASP A 54 11.180 -1.290 11.180 1.00 72.30 C ATOM 462 CG ASP A 54 11.594 -2.111 12.386 1.00 44.44 C ATOM 463 OD1 ASP A 54 12.301 -1.566 13.259 1.00 54.42 O ATOM 464 OD2 ASP A 54 11.213 -3.298 12.455 1.00 1.42 O ATOM 0 H ASP A 54 9.693 0.515 9.693 1.00 3.20 H new ATOM 0 HA ASP A 54 10.044 -0.107 12.567 1.00 11.30 H new ATOM 0 HB2 ASP A 54 10.519 -1.884 10.549 1.00 72.30 H new ATOM 0 HB3 ASP A 54 12.062 -1.054 10.584 1.00 72.30 H new ATOM 469 N SER A 55 10.967 2.377 11.746 1.00 75.45 N ATOM 470 CA SER A 55 11.818 3.561 11.789 1.00 72.33 C ATOM 471 C SER A 55 12.978 3.360 12.759 1.00 71.22 C ATOM 472 O SER A 55 12.953 2.456 13.596 1.00 43.44 O ATOM 473 CB SER A 55 11.001 4.787 12.200 1.00 74.41 C ATOM 474 OG SER A 55 11.691 5.986 11.895 1.00 63.33 O ATOM 0 H SER A 55 9.969 2.572 11.831 1.00 75.45 H new ATOM 0 HA SER A 55 12.225 3.723 10.791 1.00 72.33 H new ATOM 0 HB2 SER A 55 10.040 4.776 11.686 1.00 74.41 H new ATOM 0 HB3 SER A 55 10.791 4.746 13.269 1.00 74.41 H new ATOM 0 HG SER A 55 11.565 6.630 12.623 1.00 63.33 H new ATOM 734 N THR A 75 15.694 -0.016 4.001 1.00 51.44 N ATOM 735 CA THR A 75 14.261 0.236 4.089 1.00 42.02 C ATOM 736 C THR A 75 13.676 -0.359 5.364 1.00 45.34 C ATOM 737 O THR A 75 14.017 -1.476 5.753 1.00 33.42 O ATOM 738 CB THR A 75 13.513 -0.344 2.874 1.00 74.41 C ATOM 739 OG1 THR A 75 13.122 -1.696 3.140 1.00 41.22 O ATOM 740 CG2 THR A 75 14.386 -0.300 1.628 1.00 12.41 C ATOM 0 HA THR A 75 14.130 1.318 4.103 1.00 42.02 H new ATOM 0 HB THR A 75 12.625 0.264 2.698 1.00 74.41 H new ATOM 0 HG1 THR A 75 13.807 -2.133 3.688 1.00 41.22 H new ATOM 0 HG21 THR A 75 13.836 -0.715 0.783 1.00 12.41 H new ATOM 0 HG22 THR A 75 14.659 0.733 1.411 1.00 12.41 H new ATOM 0 HG23 THR A 75 15.289 -0.886 1.796 1.00 12.41 H new ATOM 748 N HIS A 76 12.792 0.394 6.011 1.00 3.41 N ATOM 749 CA HIS A 76 12.157 -0.060 7.244 1.00 44.05 C ATOM 750 C HIS A 76 10.638 -0.011 7.122 1.00 51.10 C ATOM 751 O HIS A 76 9.920 -0.581 7.944 1.00 60.10 O ATOM 752 CB HIS A 76 12.614 0.798 8.424 1.00 2.41 C ATOM 753 CG HIS A 76 14.095 0.769 8.647 1.00 23.14 C ATOM 754 ND1 HIS A 76 14.919 -0.196 8.108 1.00 53.41 N ATOM 755 CD2 HIS A 76 14.899 1.595 9.357 1.00 63.31 C ATOM 756 CE1 HIS A 76 16.166 0.037 8.477 1.00 43.01 C ATOM 757 NE2 HIS A 76 16.181 1.119 9.235 1.00 23.43 N ATOM 0 H HIS A 76 12.499 1.321 5.702 1.00 3.41 H new ATOM 0 HA HIS A 76 12.457 -1.093 7.419 1.00 44.05 H new ATOM 0 HB2 HIS A 76 12.300 1.828 8.257 1.00 2.41 H new ATOM 0 HB3 HIS A 76 12.112 0.455 9.328 1.00 2.41 H new ATOM 0 HD1 HIS A 76 14.614 -0.969 7.517 1.00 53.41 H new ATOM 0 HD2 HIS A 76 14.590 2.466 9.915 1.00 63.31 H new ATOM 0 HE1 HIS A 76 17.027 -0.556 8.205 1.00 43.01 H new ATOM 765 N PHE A 77 10.153 0.673 6.091 1.00 12.31 N ATOM 766 CA PHE A 77 8.718 0.798 5.863 1.00 12.54 C ATOM 767 C PHE A 77 8.303 0.059 4.595 1.00 41.34 C ATOM 768 O PHE A 77 8.999 0.105 3.580 1.00 22.35 O ATOM 769 CB PHE A 77 8.323 2.273 5.760 1.00 42.22 C ATOM 770 CG PHE A 77 6.877 2.483 5.415 1.00 54.53 C ATOM 771 CD1 PHE A 77 6.456 2.464 4.094 1.00 14.12 C ATOM 772 CD2 PHE A 77 5.937 2.701 6.410 1.00 30.42 C ATOM 773 CE1 PHE A 77 5.126 2.657 3.773 1.00 52.02 C ATOM 774 CE2 PHE A 77 4.605 2.893 6.095 1.00 62.12 C ATOM 775 CZ PHE A 77 4.199 2.873 4.775 1.00 45.30 C ATOM 0 H PHE A 77 10.733 1.149 5.400 1.00 12.31 H new ATOM 0 HA PHE A 77 8.200 0.349 6.710 1.00 12.54 H new ATOM 0 HB2 PHE A 77 8.537 2.765 6.709 1.00 42.22 H new ATOM 0 HB3 PHE A 77 8.943 2.755 5.004 1.00 42.22 H new ATOM 0 HD1 PHE A 77 7.176 2.296 3.307 1.00 14.12 H new ATOM 0 HD2 PHE A 77 6.249 2.721 7.444 1.00 30.42 H new ATOM 0 HE1 PHE A 77 4.811 2.639 2.740 1.00 52.02 H new ATOM 0 HE2 PHE A 77 3.882 3.059 6.880 1.00 62.12 H new ATOM 0 HZ PHE A 77 3.159 3.026 4.526 1.00 45.30 H new ATOM 785 N ARG A 78 7.163 -0.622 4.661 1.00 43.34 N ATOM 786 CA ARG A 78 6.655 -1.372 3.518 1.00 22.13 C ATOM 787 C ARG A 78 5.129 -1.365 3.498 1.00 41.23 C ATOM 788 O ARG A 78 4.483 -1.649 4.508 1.00 51.24 O ATOM 789 CB ARG A 78 7.169 -2.813 3.560 1.00 55.14 C ATOM 790 CG ARG A 78 6.061 -3.854 3.555 1.00 65.43 C ATOM 791 CD ARG A 78 6.624 -5.266 3.576 1.00 24.31 C ATOM 792 NE ARG A 78 5.698 -6.234 2.996 1.00 72.23 N ATOM 793 CZ ARG A 78 5.794 -7.547 3.181 1.00 42.35 C ATOM 794 NH1 ARG A 78 6.771 -8.044 3.926 1.00 31.44 N ATOM 795 NH2 ARG A 78 4.912 -8.363 2.618 1.00 62.21 N ATOM 0 H ARG A 78 6.574 -0.670 5.493 1.00 43.34 H new ATOM 0 HA ARG A 78 7.015 -0.890 2.609 1.00 22.13 H new ATOM 0 HB2 ARG A 78 7.820 -2.983 2.702 1.00 55.14 H new ATOM 0 HB3 ARG A 78 7.778 -2.947 4.454 1.00 55.14 H new ATOM 0 HG2 ARG A 78 5.416 -3.705 4.421 1.00 65.43 H new ATOM 0 HG3 ARG A 78 5.440 -3.722 2.669 1.00 65.43 H new ATOM 0 HD2 ARG A 78 7.564 -5.289 3.025 1.00 24.31 H new ATOM 0 HD3 ARG A 78 6.849 -5.551 4.604 1.00 24.31 H new ATOM 0 HE ARG A 78 4.935 -5.884 2.417 1.00 72.23 H new ATOM 0 HH11 ARG A 78 7.451 -7.419 4.359 1.00 31.44 H new ATOM 0 HH12 ARG A 78 6.843 -9.052 4.067 1.00 31.44 H new ATOM 0 HH21 ARG A 78 4.160 -7.983 2.043 1.00 62.21 H new ATOM 0 HH22 ARG A 78 4.986 -9.370 2.760 1.00 62.21 H new ATOM 809 N LEU A 79 4.560 -1.039 2.344 1.00 52.54 N ATOM 810 CA LEU A 79 3.110 -0.993 2.191 1.00 63.33 C ATOM 811 C LEU A 79 2.652 -1.917 1.067 1.00 14.53 C ATOM 812 O LEU A 79 3.033 -1.737 -0.089 1.00 72.22 O ATOM 813 CB LEU A 79 2.651 0.439 1.910 1.00 60.24 C ATOM 814 CG LEU A 79 1.333 0.861 2.558 1.00 52.22 C ATOM 815 CD1 LEU A 79 0.905 2.231 2.055 1.00 54.05 C ATOM 816 CD2 LEU A 79 0.249 -0.172 2.285 1.00 2.43 C ATOM 0 H LEU A 79 5.080 -0.802 1.499 1.00 52.54 H new ATOM 0 HA LEU A 79 2.660 -1.335 3.123 1.00 63.33 H new ATOM 0 HB2 LEU A 79 3.432 1.122 2.245 1.00 60.24 H new ATOM 0 HB3 LEU A 79 2.559 0.564 0.831 1.00 60.24 H new ATOM 0 HG LEU A 79 1.484 0.923 3.636 1.00 52.22 H new ATOM 0 HD11 LEU A 79 -0.035 2.515 2.527 1.00 54.05 H new ATOM 0 HD12 LEU A 79 1.671 2.965 2.303 1.00 54.05 H new ATOM 0 HD13 LEU A 79 0.772 2.196 0.974 1.00 54.05 H new ATOM 0 HD21 LEU A 79 -0.682 0.145 2.754 1.00 2.43 H new ATOM 0 HD22 LEU A 79 0.100 -0.267 1.209 1.00 2.43 H new ATOM 0 HD23 LEU A 79 0.552 -1.135 2.696 1.00 2.43 H new ATOM 828 N GLU A 80 1.830 -2.902 1.415 1.00 31.43 N ATOM 829 CA GLU A 80 1.319 -3.852 0.434 1.00 53.11 C ATOM 830 C GLU A 80 -0.146 -4.180 0.707 1.00 51.52 C ATOM 831 O GLU A 80 -0.541 -4.406 1.850 1.00 33.35 O ATOM 832 CB GLU A 80 2.152 -5.135 0.452 1.00 21.52 C ATOM 833 CG GLU A 80 3.547 -4.964 -0.124 1.00 22.10 C ATOM 834 CD GLU A 80 4.264 -6.286 -0.319 1.00 10.24 C ATOM 835 OE1 GLU A 80 3.593 -7.278 -0.676 1.00 11.24 O ATOM 836 OE2 GLU A 80 5.495 -6.330 -0.114 1.00 52.00 O ATOM 0 H GLU A 80 1.504 -3.063 2.368 1.00 31.43 H new ATOM 0 HA GLU A 80 1.393 -3.393 -0.552 1.00 53.11 H new ATOM 0 HB2 GLU A 80 2.233 -5.491 1.479 1.00 21.52 H new ATOM 0 HB3 GLU A 80 1.628 -5.906 -0.112 1.00 21.52 H new ATOM 0 HG2 GLU A 80 3.480 -4.447 -1.081 1.00 22.10 H new ATOM 0 HG3 GLU A 80 4.135 -4.331 0.540 1.00 22.10 H new ATOM 843 N VAL A 81 -0.948 -4.202 -0.353 1.00 61.01 N ATOM 844 CA VAL A 81 -2.369 -4.502 -0.231 1.00 13.02 C ATOM 845 C VAL A 81 -2.778 -5.627 -1.176 1.00 12.14 C ATOM 846 O VAL A 81 -2.397 -5.638 -2.347 1.00 21.34 O ATOM 847 CB VAL A 81 -3.233 -3.260 -0.525 1.00 32.25 C ATOM 848 CG1 VAL A 81 -2.737 -2.064 0.273 1.00 0.45 C ATOM 849 CG2 VAL A 81 -3.235 -2.954 -2.015 1.00 24.21 C ATOM 0 H VAL A 81 -0.637 -4.015 -1.306 1.00 61.01 H new ATOM 0 HA VAL A 81 -2.537 -4.818 0.799 1.00 13.02 H new ATOM 0 HB VAL A 81 -4.258 -3.470 -0.219 1.00 32.25 H new ATOM 0 HG11 VAL A 81 -3.359 -1.196 0.053 1.00 0.45 H new ATOM 0 HG12 VAL A 81 -2.792 -2.289 1.338 1.00 0.45 H new ATOM 0 HG13 VAL A 81 -1.704 -1.848 0.001 1.00 0.45 H new ATOM 0 HG21 VAL A 81 -3.850 -2.074 -2.205 1.00 24.21 H new ATOM 0 HG22 VAL A 81 -2.215 -2.763 -2.349 1.00 24.21 H new ATOM 0 HG23 VAL A 81 -3.642 -3.805 -2.561 1.00 24.21 H new ATOM 859 N THR A 82 -3.556 -6.573 -0.659 1.00 14.00 N ATOM 860 CA THR A 82 -4.017 -7.703 -1.456 1.00 2.24 C ATOM 861 C THR A 82 -5.538 -7.728 -1.547 1.00 22.22 C ATOM 862 O THR A 82 -6.227 -7.872 -0.536 1.00 73.14 O ATOM 863 CB THR A 82 -3.526 -9.040 -0.869 1.00 2.11 C ATOM 864 OG1 THR A 82 -2.105 -9.006 -0.692 1.00 40.21 O ATOM 865 CG2 THR A 82 -3.901 -10.200 -1.779 1.00 71.34 C ATOM 0 H THR A 82 -3.880 -6.579 0.308 1.00 14.00 H new ATOM 0 HA THR A 82 -3.599 -7.578 -2.455 1.00 2.24 H new ATOM 0 HB THR A 82 -4.008 -9.186 0.098 1.00 2.11 H new ATOM 0 HG1 THR A 82 -1.802 -9.859 -0.317 1.00 40.21 H new ATOM 0 HG21 THR A 82 -3.544 -11.134 -1.344 1.00 71.34 H new ATOM 0 HG22 THR A 82 -4.985 -10.241 -1.888 1.00 71.34 H new ATOM 0 HG23 THR A 82 -3.443 -10.057 -2.758 1.00 71.34 H new ATOM 873 N SER A 83 -6.056 -7.588 -2.763 1.00 24.32 N ATOM 874 CA SER A 83 -7.497 -7.593 -2.985 1.00 12.24 C ATOM 875 C SER A 83 -7.905 -8.757 -3.883 1.00 3.05 C ATOM 876 O SER A 83 -7.679 -8.731 -5.092 1.00 34.01 O ATOM 877 CB SER A 83 -7.941 -6.270 -3.612 1.00 74.44 C ATOM 878 OG SER A 83 -6.952 -5.269 -3.444 1.00 73.14 O ATOM 0 H SER A 83 -5.499 -7.470 -3.609 1.00 24.32 H new ATOM 0 HA SER A 83 -7.988 -7.713 -2.020 1.00 12.24 H new ATOM 0 HB2 SER A 83 -8.139 -6.416 -4.674 1.00 74.44 H new ATOM 0 HB3 SER A 83 -8.875 -5.943 -3.156 1.00 74.44 H new ATOM 0 HG SER A 83 -6.819 -5.098 -2.488 1.00 73.14 H new ATOM 884 N ASP A 84 -8.507 -9.777 -3.281 1.00 12.23 N ATOM 885 CA ASP A 84 -8.948 -10.951 -4.024 1.00 51.11 C ATOM 886 C ASP A 84 -7.756 -11.787 -4.478 1.00 43.22 C ATOM 887 O ASP A 84 -7.913 -12.769 -5.201 1.00 61.03 O ATOM 888 CB ASP A 84 -9.783 -10.530 -5.235 1.00 32.22 C ATOM 889 CG ASP A 84 -10.685 -9.350 -4.933 1.00 73.43 C ATOM 890 OD1 ASP A 84 -11.755 -9.562 -4.324 1.00 1.23 O ATOM 891 OD2 ASP A 84 -10.322 -8.216 -5.307 1.00 33.12 O ATOM 0 H ASP A 84 -8.701 -9.814 -2.280 1.00 12.23 H new ATOM 0 HA ASP A 84 -9.563 -11.560 -3.362 1.00 51.11 H new ATOM 0 HB2 ASP A 84 -9.118 -10.274 -6.060 1.00 32.22 H new ATOM 0 HB3 ASP A 84 -10.390 -11.373 -5.565 1.00 32.22 H new ATOM 896 N ALA A 85 -6.563 -11.388 -4.050 1.00 3.44 N ATOM 897 CA ALA A 85 -5.343 -12.099 -4.411 1.00 70.43 C ATOM 898 C ALA A 85 -5.292 -12.374 -5.910 1.00 53.34 C ATOM 899 O ALA A 85 -5.670 -13.453 -6.368 1.00 2.13 O ATOM 900 CB ALA A 85 -5.241 -13.402 -3.630 1.00 43.33 C ATOM 0 H ALA A 85 -6.415 -10.575 -3.452 1.00 3.44 H new ATOM 0 HA ALA A 85 -4.493 -11.466 -4.154 1.00 70.43 H new ATOM 0 HB1 ALA A 85 -4.325 -13.923 -3.909 1.00 43.33 H new ATOM 0 HB2 ALA A 85 -5.224 -13.186 -2.562 1.00 43.33 H new ATOM 0 HB3 ALA A 85 -6.101 -14.032 -3.859 1.00 43.33 H new ATOM 906 N PHE A 86 -4.823 -11.390 -6.672 1.00 33.22 N ATOM 907 CA PHE A 86 -4.725 -11.526 -8.120 1.00 63.02 C ATOM 908 C PHE A 86 -4.195 -10.241 -8.752 1.00 30.32 C ATOM 909 O PHE A 86 -4.961 -9.338 -9.087 1.00 31.43 O ATOM 910 CB PHE A 86 -6.090 -11.874 -8.715 1.00 72.44 C ATOM 911 CG PHE A 86 -6.131 -13.224 -9.374 1.00 40.33 C ATOM 912 CD1 PHE A 86 -5.178 -13.580 -10.314 1.00 11.31 C ATOM 913 CD2 PHE A 86 -7.123 -14.136 -9.052 1.00 62.20 C ATOM 914 CE1 PHE A 86 -5.214 -14.820 -10.922 1.00 42.00 C ATOM 915 CE2 PHE A 86 -7.163 -15.379 -9.656 1.00 64.31 C ATOM 916 CZ PHE A 86 -6.207 -15.722 -10.592 1.00 5.21 C ATOM 0 H PHE A 86 -4.505 -10.491 -6.310 1.00 33.22 H new ATOM 0 HA PHE A 86 -4.026 -12.333 -8.337 1.00 63.02 H new ATOM 0 HB2 PHE A 86 -6.841 -11.841 -7.925 1.00 72.44 H new ATOM 0 HB3 PHE A 86 -6.363 -11.113 -9.446 1.00 72.44 H new ATOM 0 HD1 PHE A 86 -4.398 -12.880 -10.575 1.00 11.31 H new ATOM 0 HD2 PHE A 86 -7.873 -13.873 -8.321 1.00 62.20 H new ATOM 0 HE1 PHE A 86 -4.466 -15.084 -11.655 1.00 42.00 H new ATOM 0 HE2 PHE A 86 -7.941 -16.081 -9.396 1.00 64.31 H new ATOM 0 HZ PHE A 86 -6.236 -16.693 -11.065 1.00 5.21 H new ATOM 926 N LYS A 87 -2.878 -10.168 -8.910 1.00 70.01 N ATOM 927 CA LYS A 87 -2.243 -8.995 -9.502 1.00 25.33 C ATOM 928 C LYS A 87 -2.557 -8.900 -10.990 1.00 41.15 C ATOM 929 O LYS A 87 -2.724 -9.914 -11.667 1.00 34.55 O ATOM 930 CB LYS A 87 -0.727 -9.051 -9.292 1.00 51.20 C ATOM 931 CG LYS A 87 -0.032 -7.720 -9.524 1.00 34.23 C ATOM 932 CD LYS A 87 1.243 -7.607 -8.706 1.00 14.23 C ATOM 933 CE LYS A 87 1.809 -6.197 -8.749 1.00 5.22 C ATOM 934 NZ LYS A 87 3.218 -6.180 -9.230 1.00 3.32 N ATOM 0 H LYS A 87 -2.229 -10.906 -8.637 1.00 70.01 H new ATOM 0 HA LYS A 87 -2.640 -8.108 -9.008 1.00 25.33 H new ATOM 0 HB2 LYS A 87 -0.521 -9.387 -8.276 1.00 51.20 H new ATOM 0 HB3 LYS A 87 -0.302 -9.796 -9.965 1.00 51.20 H new ATOM 0 HG2 LYS A 87 0.203 -7.611 -10.583 1.00 34.23 H new ATOM 0 HG3 LYS A 87 -0.707 -6.905 -9.262 1.00 34.23 H new ATOM 0 HD2 LYS A 87 1.040 -7.887 -7.672 1.00 14.23 H new ATOM 0 HD3 LYS A 87 1.984 -8.310 -9.087 1.00 14.23 H new ATOM 0 HE2 LYS A 87 1.194 -5.579 -9.403 1.00 5.22 H new ATOM 0 HE3 LYS A 87 1.760 -5.755 -7.754 1.00 5.22 H new ATOM 0 HZ1 LYS A 87 3.568 -5.201 -9.245 1.00 3.32 H new ATOM 0 HZ2 LYS A 87 3.810 -6.749 -8.592 1.00 3.32 H new ATOM 0 HZ3 LYS A 87 3.262 -6.578 -10.190 1.00 3.32 H new ATOM 948 N GLY A 88 -2.635 -7.673 -11.497 1.00 12.10 N ATOM 949 CA GLY A 88 -2.928 -7.467 -12.903 1.00 4.11 C ATOM 950 C GLY A 88 -2.750 -6.023 -13.328 1.00 73.30 C ATOM 951 O GLY A 88 -1.877 -5.709 -14.137 1.00 3.33 O ATOM 0 H GLY A 88 -2.500 -6.818 -10.958 1.00 12.10 H new ATOM 0 HA2 GLY A 88 -2.276 -8.102 -13.503 1.00 4.11 H new ATOM 0 HA3 GLY A 88 -3.952 -7.779 -13.107 1.00 4.11 H new ATOM 955 N LEU A 89 -3.582 -5.142 -12.783 1.00 52.31 N ATOM 956 CA LEU A 89 -3.515 -3.723 -13.111 1.00 44.54 C ATOM 957 C LEU A 89 -2.339 -3.055 -12.405 1.00 11.12 C ATOM 958 O LEU A 89 -1.821 -3.572 -11.414 1.00 2.41 O ATOM 959 CB LEU A 89 -4.820 -3.026 -12.721 1.00 55.21 C ATOM 960 CG LEU A 89 -5.238 -3.156 -11.256 1.00 32.24 C ATOM 961 CD1 LEU A 89 -4.499 -2.140 -10.398 1.00 73.43 C ATOM 962 CD2 LEU A 89 -6.744 -2.983 -11.114 1.00 24.23 C ATOM 0 H LEU A 89 -4.311 -5.386 -12.112 1.00 52.31 H new ATOM 0 HA LEU A 89 -3.369 -3.632 -14.187 1.00 44.54 H new ATOM 0 HB2 LEU A 89 -4.728 -1.966 -12.959 1.00 55.21 H new ATOM 0 HB3 LEU A 89 -5.621 -3.424 -13.343 1.00 55.21 H new ATOM 0 HG LEU A 89 -4.973 -4.155 -10.909 1.00 32.24 H new ATOM 0 HD11 LEU A 89 -4.809 -2.247 -9.359 1.00 73.43 H new ATOM 0 HD12 LEU A 89 -3.425 -2.311 -10.476 1.00 73.43 H new ATOM 0 HD13 LEU A 89 -4.732 -1.133 -10.744 1.00 73.43 H new ATOM 0 HD21 LEU A 89 -7.024 -3.079 -10.065 1.00 24.23 H new ATOM 0 HD22 LEU A 89 -7.033 -1.997 -11.478 1.00 24.23 H new ATOM 0 HD23 LEU A 89 -7.255 -3.749 -11.697 1.00 24.23 H new ATOM 974 N THR A 90 -1.922 -1.902 -12.921 1.00 24.43 N ATOM 975 CA THR A 90 -0.808 -1.165 -12.339 1.00 42.43 C ATOM 976 C THR A 90 -0.964 -1.033 -10.829 1.00 4.51 C ATOM 977 O THR A 90 -1.908 -0.408 -10.344 1.00 55.25 O ATOM 978 CB THR A 90 -0.683 0.242 -12.956 1.00 62.44 C ATOM 979 OG1 THR A 90 -1.775 1.063 -12.528 1.00 3.12 O ATOM 980 CG2 THR A 90 -0.665 0.166 -14.476 1.00 4.22 C ATOM 0 H THR A 90 -2.339 -1.460 -13.740 1.00 24.43 H new ATOM 0 HA THR A 90 0.096 -1.733 -12.559 1.00 42.43 H new ATOM 0 HB THR A 90 0.256 0.681 -12.618 1.00 62.44 H new ATOM 0 HG1 THR A 90 -2.168 0.686 -11.713 1.00 3.12 H new ATOM 0 HG21 THR A 90 -0.576 1.171 -14.890 1.00 4.22 H new ATOM 0 HG22 THR A 90 0.184 -0.436 -14.800 1.00 4.22 H new ATOM 0 HG23 THR A 90 -1.590 -0.291 -14.828 1.00 4.22 H new ATOM 988 N LEU A 91 -0.032 -1.622 -10.089 1.00 35.45 N ATOM 989 CA LEU A 91 -0.066 -1.570 -8.632 1.00 10.44 C ATOM 990 C LEU A 91 -0.016 -0.128 -8.137 1.00 52.41 C ATOM 991 O LEU A 91 -0.494 0.183 -7.046 1.00 14.01 O ATOM 992 CB LEU A 91 1.104 -2.362 -8.046 1.00 11.44 C ATOM 993 CG LEU A 91 2.488 -1.729 -8.199 1.00 12.03 C ATOM 994 CD1 LEU A 91 3.433 -2.244 -7.124 1.00 14.54 C ATOM 995 CD2 LEU A 91 3.051 -2.008 -9.584 1.00 44.24 C ATOM 0 H LEU A 91 0.757 -2.141 -10.474 1.00 35.45 H new ATOM 0 HA LEU A 91 -1.003 -2.017 -8.299 1.00 10.44 H new ATOM 0 HB2 LEU A 91 0.914 -2.520 -6.984 1.00 11.44 H new ATOM 0 HB3 LEU A 91 1.122 -3.345 -8.516 1.00 11.44 H new ATOM 0 HG LEU A 91 2.388 -0.650 -8.079 1.00 12.03 H new ATOM 0 HD11 LEU A 91 4.413 -1.783 -7.249 1.00 14.54 H new ATOM 0 HD12 LEU A 91 3.036 -1.993 -6.140 1.00 14.54 H new ATOM 0 HD13 LEU A 91 3.528 -3.326 -7.211 1.00 14.54 H new ATOM 0 HD21 LEU A 91 4.036 -1.550 -9.675 1.00 44.24 H new ATOM 0 HD22 LEU A 91 3.136 -3.085 -9.732 1.00 44.24 H new ATOM 0 HD23 LEU A 91 2.385 -1.589 -10.339 1.00 44.24 H new ATOM 1007 N VAL A 92 0.564 0.751 -8.949 1.00 3.42 N ATOM 1008 CA VAL A 92 0.673 2.161 -8.596 1.00 41.40 C ATOM 1009 C VAL A 92 -0.703 2.783 -8.383 1.00 12.31 C ATOM 1010 O VAL A 92 -0.833 3.829 -7.746 1.00 61.41 O ATOM 1011 CB VAL A 92 1.420 2.956 -9.683 1.00 62.32 C ATOM 1012 CG1 VAL A 92 2.785 2.342 -9.951 1.00 24.23 C ATOM 1013 CG2 VAL A 92 0.595 3.018 -10.960 1.00 73.31 C ATOM 0 H VAL A 92 0.965 0.511 -9.855 1.00 3.42 H new ATOM 0 HA VAL A 92 1.239 2.211 -7.666 1.00 41.40 H new ATOM 0 HB VAL A 92 1.570 3.974 -9.324 1.00 62.32 H new ATOM 0 HG11 VAL A 92 3.298 2.917 -10.722 1.00 24.23 H new ATOM 0 HG12 VAL A 92 3.376 2.355 -9.035 1.00 24.23 H new ATOM 0 HG13 VAL A 92 2.661 1.313 -10.288 1.00 24.23 H new ATOM 0 HG21 VAL A 92 1.138 3.584 -11.717 1.00 73.31 H new ATOM 0 HG22 VAL A 92 0.412 2.007 -11.324 1.00 73.31 H new ATOM 0 HG23 VAL A 92 -0.357 3.508 -10.755 1.00 73.31 H new ATOM 1023 N LYS A 93 -1.729 2.133 -8.920 1.00 64.54 N ATOM 1024 CA LYS A 93 -3.098 2.619 -8.789 1.00 64.44 C ATOM 1025 C LYS A 93 -3.569 2.532 -7.341 1.00 40.50 C ATOM 1026 O LYS A 93 -4.075 3.507 -6.785 1.00 15.43 O ATOM 1027 CB LYS A 93 -4.036 1.813 -9.691 1.00 2.42 C ATOM 1028 CG LYS A 93 -5.499 2.187 -9.534 1.00 34.03 C ATOM 1029 CD LYS A 93 -6.337 0.994 -9.107 1.00 11.21 C ATOM 1030 CE LYS A 93 -7.064 0.371 -10.289 1.00 41.42 C ATOM 1031 NZ LYS A 93 -8.048 1.312 -10.893 1.00 22.00 N ATOM 0 H LYS A 93 -1.639 1.267 -9.451 1.00 64.54 H new ATOM 0 HA LYS A 93 -3.117 3.664 -9.097 1.00 64.44 H new ATOM 0 HB2 LYS A 93 -3.742 1.959 -10.730 1.00 2.42 H new ATOM 0 HB3 LYS A 93 -3.915 0.752 -9.472 1.00 2.42 H new ATOM 0 HG2 LYS A 93 -5.595 2.983 -8.795 1.00 34.03 H new ATOM 0 HG3 LYS A 93 -5.878 2.580 -10.477 1.00 34.03 H new ATOM 0 HD2 LYS A 93 -5.696 0.247 -8.638 1.00 11.21 H new ATOM 0 HD3 LYS A 93 -7.063 1.308 -8.357 1.00 11.21 H new ATOM 0 HE2 LYS A 93 -6.338 0.070 -11.044 1.00 41.42 H new ATOM 0 HE3 LYS A 93 -7.579 -0.533 -9.964 1.00 41.42 H new ATOM 0 HZ1 LYS A 93 -8.828 0.772 -11.319 1.00 22.00 H new ATOM 0 HZ2 LYS A 93 -8.424 1.941 -10.155 1.00 22.00 H new ATOM 0 HZ3 LYS A 93 -7.579 1.881 -11.627 1.00 22.00 H new ATOM 1045 N ARG A 94 -3.396 1.362 -6.736 1.00 55.41 N ATOM 1046 CA ARG A 94 -3.804 1.150 -5.352 1.00 61.20 C ATOM 1047 C ARG A 94 -2.933 1.962 -4.398 1.00 44.43 C ATOM 1048 O ARG A 94 -3.439 2.639 -3.503 1.00 21.35 O ATOM 1049 CB ARG A 94 -3.722 -0.335 -4.996 1.00 3.14 C ATOM 1050 CG ARG A 94 -4.974 -1.118 -5.355 1.00 64.52 C ATOM 1051 CD ARG A 94 -6.145 -0.735 -4.465 1.00 3.41 C ATOM 1052 NE ARG A 94 -5.910 -1.091 -3.068 1.00 70.01 N ATOM 1053 CZ ARG A 94 -6.881 -1.231 -2.172 1.00 2.00 C ATOM 1054 NH1 ARG A 94 -8.145 -1.046 -2.525 1.00 73.51 N ATOM 1055 NH2 ARG A 94 -6.588 -1.557 -0.920 1.00 1.43 N ATOM 0 H ARG A 94 -2.976 0.546 -7.182 1.00 55.41 H new ATOM 0 HA ARG A 94 -4.836 1.485 -5.248 1.00 61.20 H new ATOM 0 HB2 ARG A 94 -2.868 -0.776 -5.510 1.00 3.14 H new ATOM 0 HB3 ARG A 94 -3.536 -0.434 -3.926 1.00 3.14 H new ATOM 0 HG2 ARG A 94 -5.233 -0.934 -6.398 1.00 64.52 H new ATOM 0 HG3 ARG A 94 -4.777 -2.186 -5.259 1.00 64.52 H new ATOM 0 HD2 ARG A 94 -6.322 0.338 -4.541 1.00 3.41 H new ATOM 0 HD3 ARG A 94 -7.048 -1.233 -4.819 1.00 3.41 H new ATOM 0 HE ARG A 94 -4.948 -1.240 -2.764 1.00 70.01 H new ATOM 0 HH11 ARG A 94 -8.374 -0.795 -3.487 1.00 73.51 H new ATOM 0 HH12 ARG A 94 -8.888 -1.154 -1.835 1.00 73.51 H new ATOM 0 HH21 ARG A 94 -5.616 -1.700 -0.644 1.00 1.43 H new ATOM 0 HH22 ARG A 94 -7.334 -1.664 -0.233 1.00 1.43 H new ATOM 1069 N HIS A 95 -1.621 1.890 -4.596 1.00 60.14 N ATOM 1070 CA HIS A 95 -0.679 2.617 -3.754 1.00 11.41 C ATOM 1071 C HIS A 95 -0.946 4.119 -3.813 1.00 1.54 C ATOM 1072 O HIS A 95 -0.779 4.827 -2.820 1.00 74.13 O ATOM 1073 CB HIS A 95 0.758 2.327 -4.188 1.00 61.52 C ATOM 1074 CG HIS A 95 1.651 3.528 -4.150 1.00 73.33 C ATOM 1075 ND1 HIS A 95 1.937 4.217 -2.991 1.00 53.10 N ATOM 1076 CD2 HIS A 95 2.324 4.161 -5.139 1.00 5.34 C ATOM 1077 CE1 HIS A 95 2.746 5.224 -3.268 1.00 21.53 C ATOM 1078 NE2 HIS A 95 2.998 5.212 -4.564 1.00 12.10 N ATOM 0 H HIS A 95 -1.186 1.335 -5.333 1.00 60.14 H new ATOM 0 HA HIS A 95 -0.815 2.280 -2.726 1.00 11.41 H new ATOM 0 HB2 HIS A 95 1.175 1.555 -3.542 1.00 61.52 H new ATOM 0 HB3 HIS A 95 0.748 1.924 -5.201 1.00 61.52 H new ATOM 0 HD2 HIS A 95 2.330 3.891 -6.185 1.00 5.34 H new ATOM 0 HE1 HIS A 95 3.135 5.936 -2.555 1.00 21.53 H new ATOM 0 HE2 HIS A 95 3.596 5.875 -5.058 1.00 12.10 H new ATOM 1086 N GLN A 96 -1.359 4.596 -4.983 1.00 31.14 N ATOM 1087 CA GLN A 96 -1.646 6.013 -5.170 1.00 54.22 C ATOM 1088 C GLN A 96 -2.953 6.399 -4.484 1.00 71.05 C ATOM 1089 O GLN A 96 -3.076 7.492 -3.929 1.00 35.30 O ATOM 1090 CB GLN A 96 -1.722 6.347 -6.662 1.00 15.35 C ATOM 1091 CG GLN A 96 -2.272 7.736 -6.947 1.00 32.42 C ATOM 1092 CD GLN A 96 -1.394 8.527 -7.894 1.00 61.05 C ATOM 1093 OE1 GLN A 96 -0.795 9.532 -7.512 1.00 1.23 O ATOM 1094 NE2 GLN A 96 -1.312 8.078 -9.142 1.00 24.54 N ATOM 0 H GLN A 96 -1.502 4.023 -5.814 1.00 31.14 H new ATOM 0 HA GLN A 96 -0.836 6.585 -4.717 1.00 54.22 H new ATOM 0 HB2 GLN A 96 -0.726 6.264 -7.096 1.00 15.35 H new ATOM 0 HB3 GLN A 96 -2.349 5.608 -7.160 1.00 15.35 H new ATOM 0 HG2 GLN A 96 -3.271 7.647 -7.373 1.00 32.42 H new ATOM 0 HG3 GLN A 96 -2.373 8.282 -6.009 1.00 32.42 H new ATOM 0 HE21 GLN A 96 -1.825 7.241 -9.417 1.00 24.54 H new ATOM 0 HE22 GLN A 96 -0.736 8.571 -9.824 1.00 24.54 H new ATOM 1103 N LEU A 97 -3.926 5.495 -4.525 1.00 52.35 N ATOM 1104 CA LEU A 97 -5.225 5.740 -3.908 1.00 4.51 C ATOM 1105 C LEU A 97 -5.074 6.019 -2.416 1.00 32.13 C ATOM 1106 O LEU A 97 -5.583 7.018 -1.907 1.00 55.50 O ATOM 1107 CB LEU A 97 -6.149 4.541 -4.124 1.00 43.31 C ATOM 1108 CG LEU A 97 -6.828 4.455 -5.491 1.00 72.53 C ATOM 1109 CD1 LEU A 97 -7.410 3.066 -5.711 1.00 41.42 C ATOM 1110 CD2 LEU A 97 -7.913 5.515 -5.616 1.00 41.11 C ATOM 0 H LEU A 97 -3.840 4.586 -4.979 1.00 52.35 H new ATOM 0 HA LEU A 97 -5.665 6.618 -4.381 1.00 4.51 H new ATOM 0 HB2 LEU A 97 -5.571 3.630 -3.970 1.00 43.31 H new ATOM 0 HB3 LEU A 97 -6.923 4.561 -3.357 1.00 43.31 H new ATOM 0 HG LEU A 97 -6.078 4.639 -6.260 1.00 72.53 H new ATOM 0 HD11 LEU A 97 -7.889 3.023 -6.689 1.00 41.42 H new ATOM 0 HD12 LEU A 97 -6.611 2.326 -5.666 1.00 41.42 H new ATOM 0 HD13 LEU A 97 -8.147 2.853 -4.936 1.00 41.42 H new ATOM 0 HD21 LEU A 97 -8.385 5.439 -6.595 1.00 41.11 H new ATOM 0 HD22 LEU A 97 -8.662 5.362 -4.839 1.00 41.11 H new ATOM 0 HD23 LEU A 97 -7.470 6.504 -5.503 1.00 41.11 H new ATOM 1122 N ILE A 98 -4.371 5.131 -1.722 1.00 25.10 N ATOM 1123 CA ILE A 98 -4.151 5.283 -0.289 1.00 43.22 C ATOM 1124 C ILE A 98 -2.993 6.236 -0.009 1.00 12.53 C ATOM 1125 O ILE A 98 -2.907 6.823 1.070 1.00 4.43 O ATOM 1126 CB ILE A 98 -3.859 3.928 0.383 1.00 11.51 C ATOM 1127 CG1 ILE A 98 -2.652 3.257 -0.276 1.00 55.10 C ATOM 1128 CG2 ILE A 98 -5.082 3.026 0.308 1.00 41.45 C ATOM 1129 CD1 ILE A 98 -2.233 1.971 0.401 1.00 3.43 C ATOM 0 H ILE A 98 -3.944 4.299 -2.129 1.00 25.10 H new ATOM 0 HA ILE A 98 -5.069 5.696 0.129 1.00 43.22 H new ATOM 0 HB ILE A 98 -3.625 4.102 1.433 1.00 11.51 H new ATOM 0 HG12 ILE A 98 -2.887 3.049 -1.320 1.00 55.10 H new ATOM 0 HG13 ILE A 98 -1.812 3.952 -0.271 1.00 55.10 H new ATOM 0 HG21 ILE A 98 -4.861 2.072 0.787 1.00 41.45 H new ATOM 0 HG22 ILE A 98 -5.918 3.503 0.819 1.00 41.45 H new ATOM 0 HG23 ILE A 98 -5.345 2.855 -0.736 1.00 41.45 H new ATOM 0 HD11 ILE A 98 -1.372 1.550 -0.119 1.00 3.43 H new ATOM 0 HD12 ILE A 98 -1.967 2.176 1.438 1.00 3.43 H new ATOM 0 HD13 ILE A 98 -3.058 1.259 0.372 1.00 3.43 H new ATOM 1141 N TYR A 99 -2.108 6.387 -0.987 1.00 61.32 N ATOM 1142 CA TYR A 99 -0.955 7.268 -0.847 1.00 13.05 C ATOM 1143 C TYR A 99 -0.378 7.189 0.563 1.00 11.21 C ATOM 1144 O TYR A 99 -0.015 8.205 1.156 1.00 64.44 O ATOM 1145 CB TYR A 99 -1.347 8.711 -1.169 1.00 75.55 C ATOM 1146 CG TYR A 99 -2.564 9.191 -0.410 1.00 3.13 C ATOM 1147 CD1 TYR A 99 -2.439 9.783 0.840 1.00 24.45 C ATOM 1148 CD2 TYR A 99 -3.839 9.055 -0.944 1.00 71.31 C ATOM 1149 CE1 TYR A 99 -3.547 10.223 1.538 1.00 10.13 C ATOM 1150 CE2 TYR A 99 -4.953 9.493 -0.256 1.00 12.35 C ATOM 1151 CZ TYR A 99 -4.803 10.075 0.986 1.00 45.40 C ATOM 1152 OH TYR A 99 -5.908 10.514 1.677 1.00 53.03 O ATOM 0 H TYR A 99 -2.167 5.910 -1.887 1.00 61.32 H new ATOM 0 HA TYR A 99 -0.191 6.940 -1.552 1.00 13.05 H new ATOM 0 HB2 TYR A 99 -0.506 9.366 -0.943 1.00 75.55 H new ATOM 0 HB3 TYR A 99 -1.539 8.797 -2.239 1.00 75.55 H new ATOM 0 HD1 TYR A 99 -1.457 9.902 1.274 1.00 24.45 H new ATOM 0 HD2 TYR A 99 -3.961 8.598 -1.915 1.00 71.31 H new ATOM 0 HE1 TYR A 99 -3.431 10.680 2.510 1.00 10.13 H new ATOM 0 HE2 TYR A 99 -5.937 9.381 -0.688 1.00 12.35 H new ATOM 0 HH TYR A 99 -6.715 10.337 1.150 1.00 53.03 H new ATOM 1162 N GLY A 100 -0.297 5.973 1.095 1.00 4.24 N ATOM 1163 CA GLY A 100 0.237 5.782 2.431 1.00 23.54 C ATOM 1164 C GLY A 100 1.753 5.756 2.451 1.00 15.41 C ATOM 1165 O GLY A 100 2.372 6.025 3.482 1.00 60.23 O ATOM 0 H GLY A 100 -0.592 5.117 0.625 1.00 4.24 H new ATOM 0 HA2 GLY A 100 -0.118 6.583 3.079 1.00 23.54 H new ATOM 0 HA3 GLY A 100 -0.145 4.847 2.841 1.00 23.54 H new ATOM 1169 N LEU A 101 2.352 5.429 1.311 1.00 5.33 N ATOM 1170 CA LEU A 101 3.806 5.368 1.202 1.00 33.53 C ATOM 1171 C LEU A 101 4.406 6.768 1.123 1.00 24.52 C ATOM 1172 O LEU A 101 3.730 7.725 0.743 1.00 65.52 O ATOM 1173 CB LEU A 101 4.210 4.557 -0.031 1.00 21.53 C ATOM 1174 CG LEU A 101 5.713 4.387 -0.258 1.00 74.42 C ATOM 1175 CD1 LEU A 101 6.356 3.684 0.927 1.00 1.21 C ATOM 1176 CD2 LEU A 101 5.972 3.615 -1.544 1.00 42.15 C ATOM 0 H LEU A 101 1.854 5.202 0.450 1.00 5.33 H new ATOM 0 HA LEU A 101 4.193 4.878 2.095 1.00 33.53 H new ATOM 0 HB2 LEU A 101 3.760 3.567 0.046 1.00 21.53 H new ATOM 0 HB3 LEU A 101 3.781 5.034 -0.912 1.00 21.53 H new ATOM 0 HG LEU A 101 6.162 5.376 -0.353 1.00 74.42 H new ATOM 0 HD11 LEU A 101 7.425 3.572 0.747 1.00 1.21 H new ATOM 0 HD12 LEU A 101 6.200 4.275 1.829 1.00 1.21 H new ATOM 0 HD13 LEU A 101 5.905 2.700 1.055 1.00 1.21 H new ATOM 0 HD21 LEU A 101 7.046 3.503 -1.691 1.00 42.15 H new ATOM 0 HD22 LEU A 101 5.510 2.630 -1.476 1.00 42.15 H new ATOM 0 HD23 LEU A 101 5.545 4.159 -2.387 1.00 42.15 H new ATOM 1188 N LEU A 102 5.680 6.881 1.484 1.00 33.32 N ATOM 1189 CA LEU A 102 6.373 8.163 1.452 1.00 45.25 C ATOM 1190 C LEU A 102 5.788 9.124 2.481 1.00 12.33 C ATOM 1191 O LEU A 102 5.535 10.292 2.184 1.00 64.14 O ATOM 1192 CB LEU A 102 6.284 8.779 0.055 1.00 53.05 C ATOM 1193 CG LEU A 102 7.407 9.744 -0.327 1.00 75.30 C ATOM 1194 CD1 LEU A 102 8.504 9.013 -1.086 1.00 52.41 C ATOM 1195 CD2 LEU A 102 6.860 10.898 -1.155 1.00 64.15 C ATOM 0 H LEU A 102 6.253 6.100 1.802 1.00 33.32 H new ATOM 0 HA LEU A 102 7.420 7.988 1.699 1.00 45.25 H new ATOM 0 HB2 LEU A 102 6.263 7.971 -0.676 1.00 53.05 H new ATOM 0 HB3 LEU A 102 5.334 9.308 -0.027 1.00 53.05 H new ATOM 0 HG LEU A 102 7.837 10.152 0.588 1.00 75.30 H new ATOM 0 HD11 LEU A 102 9.294 9.716 -1.350 1.00 52.41 H new ATOM 0 HD12 LEU A 102 8.916 8.222 -0.459 1.00 52.41 H new ATOM 0 HD13 LEU A 102 8.089 8.576 -1.994 1.00 52.41 H new ATOM 0 HD21 LEU A 102 7.673 11.575 -1.418 1.00 64.15 H new ATOM 0 HD22 LEU A 102 6.403 10.509 -2.065 1.00 64.15 H new ATOM 0 HD23 LEU A 102 6.111 11.438 -0.576 1.00 64.15 H new ATOM 1207 N SER A 103 5.576 8.626 3.695 1.00 12.42 N ATOM 1208 CA SER A 103 5.019 9.440 4.769 1.00 12.23 C ATOM 1209 C SER A 103 5.857 9.313 6.038 1.00 61.22 C ATOM 1210 O SER A 103 6.680 10.177 6.342 1.00 52.33 O ATOM 1211 CB SER A 103 3.575 9.025 5.056 1.00 54.53 C ATOM 1212 OG SER A 103 3.468 7.622 5.212 1.00 34.40 O ATOM 0 H SER A 103 5.782 7.663 3.959 1.00 12.42 H new ATOM 0 HA SER A 103 5.034 10.481 4.447 1.00 12.23 H new ATOM 0 HB2 SER A 103 3.224 9.522 5.960 1.00 54.53 H new ATOM 0 HB3 SER A 103 2.930 9.353 4.241 1.00 54.53 H new ATOM 0 HG SER A 103 3.306 7.207 4.339 1.00 34.40 H new ATOM 1218 N ASP A 104 5.642 8.228 6.775 1.00 44.33 N ATOM 1219 CA ASP A 104 6.378 7.986 8.011 1.00 74.31 C ATOM 1220 C ASP A 104 7.771 7.439 7.716 1.00 54.21 C ATOM 1221 O ASP A 104 8.683 7.568 8.531 1.00 63.21 O ATOM 1222 CB ASP A 104 5.610 7.007 8.902 1.00 63.35 C ATOM 1223 CG ASP A 104 6.189 6.922 10.300 1.00 13.14 C ATOM 1224 OD1 ASP A 104 7.333 6.442 10.441 1.00 74.33 O ATOM 1225 OD2 ASP A 104 5.497 7.335 11.255 1.00 12.22 O ATOM 0 H ASP A 104 4.965 7.503 6.538 1.00 44.33 H new ATOM 0 HA ASP A 104 6.484 8.936 8.534 1.00 74.31 H new ATOM 0 HB2 ASP A 104 4.567 7.316 8.962 1.00 63.35 H new ATOM 0 HB3 ASP A 104 5.623 6.017 8.445 1.00 63.35 H new ATOM 1230 N GLU A 105 7.926 6.829 6.545 1.00 70.10 N ATOM 1231 CA GLU A 105 9.208 6.261 6.144 1.00 50.33 C ATOM 1232 C GLU A 105 10.279 7.345 6.055 1.00 14.14 C ATOM 1233 O GLU A 105 11.436 7.121 6.413 1.00 74.24 O ATOM 1234 CB GLU A 105 9.077 5.549 4.796 1.00 32.22 C ATOM 1235 CG GLU A 105 10.395 5.019 4.256 1.00 34.25 C ATOM 1236 CD GLU A 105 10.987 3.930 5.129 1.00 31.25 C ATOM 1237 OE1 GLU A 105 11.202 4.184 6.333 1.00 2.40 O ATOM 1238 OE2 GLU A 105 11.234 2.822 4.608 1.00 22.32 O ATOM 0 H GLU A 105 7.181 6.716 5.858 1.00 70.10 H new ATOM 0 HA GLU A 105 9.508 5.537 6.902 1.00 50.33 H new ATOM 0 HB2 GLU A 105 8.377 4.720 4.899 1.00 32.22 H new ATOM 0 HB3 GLU A 105 8.648 6.240 4.070 1.00 32.22 H new ATOM 0 HG2 GLU A 105 10.241 4.629 3.250 1.00 34.25 H new ATOM 0 HG3 GLU A 105 11.106 5.841 4.174 1.00 34.25 H new ATOM 1245 N PHE A 106 9.885 8.521 5.578 1.00 54.51 N ATOM 1246 CA PHE A 106 10.810 9.640 5.441 1.00 13.03 C ATOM 1247 C PHE A 106 11.522 9.921 6.761 1.00 62.52 C ATOM 1248 O PHE A 106 12.663 10.384 6.778 1.00 73.02 O ATOM 1249 CB PHE A 106 10.064 10.891 4.975 1.00 51.51 C ATOM 1250 CG PHE A 106 10.848 11.732 4.007 1.00 71.52 C ATOM 1251 CD1 PHE A 106 10.848 11.435 2.654 1.00 20.30 C ATOM 1252 CD2 PHE A 106 11.586 12.816 4.451 1.00 11.42 C ATOM 1253 CE1 PHE A 106 11.568 12.206 1.760 1.00 23.53 C ATOM 1254 CE2 PHE A 106 12.308 13.591 3.562 1.00 0.13 C ATOM 1255 CZ PHE A 106 12.300 13.284 2.216 1.00 51.14 C ATOM 0 H PHE A 106 8.931 8.724 5.280 1.00 54.51 H new ATOM 0 HA PHE A 106 11.558 9.372 4.695 1.00 13.03 H new ATOM 0 HB2 PHE A 106 9.126 10.592 4.507 1.00 51.51 H new ATOM 0 HB3 PHE A 106 9.807 11.496 5.845 1.00 51.51 H new ATOM 0 HD1 PHE A 106 10.279 10.591 2.293 1.00 20.30 H new ATOM 0 HD2 PHE A 106 11.598 13.059 5.503 1.00 11.42 H new ATOM 0 HE1 PHE A 106 11.558 11.965 0.707 1.00 23.53 H new ATOM 0 HE2 PHE A 106 12.878 14.436 3.920 1.00 0.13 H new ATOM 0 HZ PHE A 106 12.866 13.886 1.521 1.00 51.14 H new ATOM 1265 N LYS A 107 10.841 9.638 7.866 1.00 44.31 N ATOM 1266 CA LYS A 107 11.407 9.859 9.192 1.00 23.51 C ATOM 1267 C LYS A 107 12.522 8.859 9.480 1.00 5.03 C ATOM 1268 O LYS A 107 13.492 9.178 10.168 1.00 53.20 O ATOM 1269 CB LYS A 107 10.316 9.744 10.259 1.00 25.04 C ATOM 1270 CG LYS A 107 10.859 9.655 11.675 1.00 5.12 C ATOM 1271 CD LYS A 107 10.151 10.626 12.606 1.00 62.24 C ATOM 1272 CE LYS A 107 9.656 9.931 13.864 1.00 10.53 C ATOM 1273 NZ LYS A 107 8.669 10.763 14.606 1.00 14.20 N ATOM 0 H LYS A 107 9.896 9.255 7.870 1.00 44.31 H new ATOM 0 HA LYS A 107 11.828 10.864 9.218 1.00 23.51 H new ATOM 0 HB2 LYS A 107 9.655 10.608 10.186 1.00 25.04 H new ATOM 0 HB3 LYS A 107 9.711 8.861 10.054 1.00 25.04 H new ATOM 0 HG2 LYS A 107 10.739 8.638 12.049 1.00 5.12 H new ATOM 0 HG3 LYS A 107 11.928 9.868 11.670 1.00 5.12 H new ATOM 0 HD2 LYS A 107 10.832 11.432 12.879 1.00 62.24 H new ATOM 0 HD3 LYS A 107 9.309 11.082 12.086 1.00 62.24 H new ATOM 0 HE2 LYS A 107 9.199 8.978 13.597 1.00 10.53 H new ATOM 0 HE3 LYS A 107 10.503 9.708 14.513 1.00 10.53 H new ATOM 0 HZ1 LYS A 107 8.356 10.254 15.457 1.00 14.20 H new ATOM 0 HZ2 LYS A 107 9.112 11.662 14.884 1.00 14.20 H new ATOM 0 HZ3 LYS A 107 7.849 10.955 13.996 1.00 14.20 H new ATOM 1287 N ALA A 108 12.380 7.650 8.948 1.00 31.54 N ATOM 1288 CA ALA A 108 13.377 6.605 9.146 1.00 10.33 C ATOM 1289 C ALA A 108 14.706 6.987 8.503 1.00 30.54 C ATOM 1290 O ALA A 108 15.768 6.804 9.096 1.00 64.34 O ATOM 1291 CB ALA A 108 12.877 5.283 8.584 1.00 54.15 C ATOM 0 H ALA A 108 11.583 7.370 8.376 1.00 31.54 H new ATOM 0 HA ALA A 108 13.540 6.492 10.218 1.00 10.33 H new ATOM 0 HB1 ALA A 108 13.632 4.513 8.739 1.00 54.15 H new ATOM 0 HB2 ALA A 108 11.956 4.996 9.092 1.00 54.15 H new ATOM 0 HB3 ALA A 108 12.683 5.391 7.517 1.00 54.15 H new ATOM 1297 N GLY A 109 14.639 7.517 7.285 1.00 15.51 N ATOM 1298 CA GLY A 109 15.843 7.915 6.582 1.00 63.04 C ATOM 1299 C GLY A 109 16.186 6.976 5.442 1.00 53.44 C ATOM 1300 O GLY A 109 17.101 7.243 4.662 1.00 2.21 O ATOM 0 H GLY A 109 13.771 7.677 6.773 1.00 15.51 H new ATOM 0 HA2 GLY A 109 15.715 8.924 6.191 1.00 63.04 H new ATOM 0 HA3 GLY A 109 16.676 7.948 7.284 1.00 63.04 H new ATOM 1304 N LEU A 110 15.451 5.875 5.344 1.00 70.24 N ATOM 1305 CA LEU A 110 15.682 4.892 4.291 1.00 70.51 C ATOM 1306 C LEU A 110 14.435 4.712 3.430 1.00 4.44 C ATOM 1307 O LEU A 110 13.310 4.751 3.932 1.00 4.01 O ATOM 1308 CB LEU A 110 16.092 3.550 4.900 1.00 25.11 C ATOM 1309 CG LEU A 110 15.441 3.192 6.236 1.00 74.43 C ATOM 1310 CD1 LEU A 110 15.987 4.072 7.350 1.00 72.20 C ATOM 1311 CD2 LEU A 110 13.928 3.324 6.144 1.00 70.35 C ATOM 0 H LEU A 110 14.690 5.640 5.981 1.00 70.24 H new ATOM 0 HA LEU A 110 16.489 5.259 3.657 1.00 70.51 H new ATOM 0 HB2 LEU A 110 15.860 2.762 4.183 1.00 25.11 H new ATOM 0 HB3 LEU A 110 17.174 3.550 5.034 1.00 25.11 H new ATOM 0 HG LEU A 110 15.683 2.155 6.469 1.00 74.43 H new ATOM 0 HD11 LEU A 110 15.512 3.802 8.293 1.00 72.20 H new ATOM 0 HD12 LEU A 110 17.064 3.928 7.432 1.00 72.20 H new ATOM 0 HD13 LEU A 110 15.777 5.117 7.124 1.00 72.20 H new ATOM 0 HD21 LEU A 110 13.481 3.065 7.104 1.00 70.35 H new ATOM 0 HD22 LEU A 110 13.667 4.351 5.887 1.00 70.35 H new ATOM 0 HD23 LEU A 110 13.550 2.651 5.375 1.00 70.35 H new ATOM 1323 N HIS A 111 14.642 4.513 2.133 1.00 70.22 N ATOM 1324 CA HIS A 111 13.534 4.324 1.202 1.00 31.41 C ATOM 1325 C HIS A 111 12.625 3.189 1.664 1.00 53.24 C ATOM 1326 O HIS A 111 12.902 2.527 2.663 1.00 73.23 O ATOM 1327 CB HIS A 111 14.064 4.030 -0.202 1.00 24.44 C ATOM 1328 CG HIS A 111 13.369 4.803 -1.279 1.00 22.12 C ATOM 1329 ND1 HIS A 111 13.355 6.181 -1.325 1.00 61.32 N ATOM 1330 CD2 HIS A 111 12.663 4.384 -2.355 1.00 33.32 C ATOM 1331 CE1 HIS A 111 12.668 6.576 -2.383 1.00 1.11 C ATOM 1332 NE2 HIS A 111 12.239 5.505 -3.025 1.00 35.11 N ATOM 0 H HIS A 111 15.566 4.478 1.702 1.00 70.22 H new ATOM 0 HA HIS A 111 12.952 5.245 1.176 1.00 31.41 H new ATOM 0 HB2 HIS A 111 15.130 4.257 -0.234 1.00 24.44 H new ATOM 0 HB3 HIS A 111 13.958 2.964 -0.405 1.00 24.44 H new ATOM 0 HD2 HIS A 111 12.469 3.359 -2.635 1.00 33.32 H new ATOM 0 HE1 HIS A 111 12.488 7.601 -2.673 1.00 1.11 H new ATOM 0 HE2 HIS A 111 11.683 5.510 -3.880 1.00 35.11 H new ATOM 1340 N ALA A 112 11.538 2.973 0.930 1.00 20.02 N ATOM 1341 CA ALA A 112 10.588 1.919 1.264 1.00 51.33 C ATOM 1342 C ALA A 112 10.136 1.172 0.014 1.00 23.54 C ATOM 1343 O ALA A 112 10.334 1.640 -1.108 1.00 21.11 O ATOM 1344 CB ALA A 112 9.388 2.502 1.995 1.00 72.41 C ATOM 0 H ALA A 112 11.294 3.514 0.100 1.00 20.02 H new ATOM 0 HA ALA A 112 11.089 1.207 1.920 1.00 51.33 H new ATOM 0 HB1 ALA A 112 8.687 1.704 2.238 1.00 72.41 H new ATOM 0 HB2 ALA A 112 9.721 2.985 2.914 1.00 72.41 H new ATOM 0 HB3 ALA A 112 8.895 3.236 1.358 1.00 72.41 H new ATOM 1350 N LEU A 113 9.531 0.006 0.214 1.00 52.23 N ATOM 1351 CA LEU A 113 9.051 -0.808 -0.898 1.00 12.23 C ATOM 1352 C LEU A 113 7.547 -1.039 -0.795 1.00 2.12 C ATOM 1353 O LEU A 113 7.058 -1.580 0.197 1.00 65.22 O ATOM 1354 CB LEU A 113 9.784 -2.151 -0.926 1.00 42.43 C ATOM 1355 CG LEU A 113 9.865 -2.899 0.405 1.00 35.22 C ATOM 1356 CD1 LEU A 113 9.485 -4.360 0.220 1.00 65.41 C ATOM 1357 CD2 LEU A 113 11.259 -2.780 1.000 1.00 3.35 C ATOM 0 H LEU A 113 9.361 -0.397 1.136 1.00 52.23 H new ATOM 0 HA LEU A 113 9.254 -0.270 -1.824 1.00 12.23 H new ATOM 0 HB2 LEU A 113 9.291 -2.796 -1.653 1.00 42.43 H new ATOM 0 HB3 LEU A 113 10.798 -1.981 -1.287 1.00 42.43 H new ATOM 0 HG LEU A 113 9.157 -2.445 1.098 1.00 35.22 H new ATOM 0 HD11 LEU A 113 9.548 -4.877 1.178 1.00 65.41 H new ATOM 0 HD12 LEU A 113 8.466 -4.425 -0.161 1.00 65.41 H new ATOM 0 HD13 LEU A 113 10.168 -4.827 -0.490 1.00 65.41 H new ATOM 0 HD21 LEU A 113 11.298 -3.318 1.947 1.00 3.35 H new ATOM 0 HD22 LEU A 113 11.987 -3.207 0.310 1.00 3.35 H new ATOM 0 HD23 LEU A 113 11.493 -1.729 1.170 1.00 3.35 H new ATOM 1369 N SER A 114 6.818 -0.626 -1.827 1.00 32.32 N ATOM 1370 CA SER A 114 5.369 -0.786 -1.852 1.00 4.03 C ATOM 1371 C SER A 114 4.946 -1.729 -2.975 1.00 21.04 C ATOM 1372 O SER A 114 5.443 -1.637 -4.097 1.00 35.12 O ATOM 1373 CB SER A 114 4.688 0.573 -2.028 1.00 60.43 C ATOM 1374 OG SER A 114 3.428 0.433 -2.663 1.00 41.02 O ATOM 0 H SER A 114 7.207 -0.178 -2.657 1.00 32.32 H new ATOM 0 HA SER A 114 5.059 -1.219 -0.901 1.00 4.03 H new ATOM 0 HB2 SER A 114 4.558 1.047 -1.055 1.00 60.43 H new ATOM 0 HB3 SER A 114 5.326 1.229 -2.620 1.00 60.43 H new ATOM 0 HG SER A 114 2.884 -0.217 -2.171 1.00 41.02 H new ATOM 1380 N MET A 115 4.026 -2.636 -2.662 1.00 12.23 N ATOM 1381 CA MET A 115 3.535 -3.595 -3.644 1.00 33.54 C ATOM 1382 C MET A 115 2.043 -3.849 -3.457 1.00 34.21 C ATOM 1383 O MET A 115 1.613 -4.354 -2.418 1.00 54.55 O ATOM 1384 CB MET A 115 4.306 -4.912 -3.532 1.00 53.03 C ATOM 1385 CG MET A 115 5.750 -4.735 -3.092 1.00 43.11 C ATOM 1386 SD MET A 115 6.792 -6.134 -3.549 1.00 12.14 S ATOM 1387 CE MET A 115 8.415 -5.380 -3.494 1.00 62.01 C ATOM 0 H MET A 115 3.606 -2.727 -1.737 1.00 12.23 H new ATOM 0 HA MET A 115 3.692 -3.173 -4.637 1.00 33.54 H new ATOM 0 HB2 MET A 115 3.796 -5.563 -2.822 1.00 53.03 H new ATOM 0 HB3 MET A 115 4.288 -5.417 -4.498 1.00 53.03 H new ATOM 0 HG2 MET A 115 6.153 -3.826 -3.538 1.00 43.11 H new ATOM 0 HG3 MET A 115 5.782 -4.601 -2.011 1.00 43.11 H new ATOM 0 HE1 MET A 115 9.170 -6.122 -3.754 1.00 62.01 H new ATOM 0 HE2 MET A 115 8.457 -4.555 -4.205 1.00 62.01 H new ATOM 0 HE3 MET A 115 8.607 -5.003 -2.489 1.00 62.01 H new ATOM 1397 N THR A 116 1.255 -3.496 -4.468 1.00 54.52 N ATOM 1398 CA THR A 116 -0.190 -3.684 -4.414 1.00 65.01 C ATOM 1399 C THR A 116 -0.654 -4.683 -5.467 1.00 62.10 C ATOM 1400 O THR A 116 -0.361 -4.531 -6.654 1.00 72.40 O ATOM 1401 CB THR A 116 -0.937 -2.353 -4.619 1.00 60.21 C ATOM 1402 OG1 THR A 116 -1.113 -2.101 -6.018 1.00 43.41 O ATOM 1403 CG2 THR A 116 -0.176 -1.201 -3.983 1.00 12.44 C ATOM 0 H THR A 116 1.593 -3.078 -5.335 1.00 54.52 H new ATOM 0 HA THR A 116 -0.422 -4.073 -3.422 1.00 65.01 H new ATOM 0 HB THR A 116 -1.912 -2.432 -4.138 1.00 60.21 H new ATOM 0 HG1 THR A 116 -1.092 -1.135 -6.182 1.00 43.41 H new ATOM 0 HG21 THR A 116 -0.724 -0.272 -4.141 1.00 12.44 H new ATOM 0 HG22 THR A 116 -0.069 -1.382 -2.913 1.00 12.44 H new ATOM 0 HG23 THR A 116 0.811 -1.122 -4.438 1.00 12.44 H new ATOM 1411 N THR A 117 -1.380 -5.706 -5.027 1.00 53.31 N ATOM 1412 CA THR A 117 -1.885 -6.731 -5.933 1.00 13.53 C ATOM 1413 C THR A 117 -3.406 -6.816 -5.873 1.00 20.01 C ATOM 1414 O THR A 117 -3.974 -7.269 -4.880 1.00 40.10 O ATOM 1415 CB THR A 117 -1.291 -8.112 -5.603 1.00 71.32 C ATOM 1416 OG1 THR A 117 -2.029 -9.137 -6.280 1.00 51.54 O ATOM 1417 CG2 THR A 117 -1.316 -8.369 -4.104 1.00 71.12 C ATOM 0 H THR A 117 -1.632 -5.847 -4.049 1.00 53.31 H new ATOM 0 HA THR A 117 -1.580 -6.443 -6.939 1.00 13.53 H new ATOM 0 HB THR A 117 -0.255 -8.127 -5.940 1.00 71.32 H new ATOM 0 HG1 THR A 117 -1.644 -10.013 -6.066 1.00 51.54 H new ATOM 0 HG21 THR A 117 -0.891 -9.351 -3.896 1.00 71.12 H new ATOM 0 HG22 THR A 117 -0.730 -7.605 -3.594 1.00 71.12 H new ATOM 0 HG23 THR A 117 -2.345 -8.336 -3.746 1.00 71.12 H new ATOM 1425 N LYS A 118 -4.060 -6.378 -6.944 1.00 1.12 N ATOM 1426 CA LYS A 118 -5.516 -6.406 -7.015 1.00 72.41 C ATOM 1427 C LYS A 118 -5.985 -6.850 -8.397 1.00 62.01 C ATOM 1428 O LYS A 118 -5.372 -6.511 -9.410 1.00 60.14 O ATOM 1429 CB LYS A 118 -6.091 -5.026 -6.689 1.00 5.34 C ATOM 1430 CG LYS A 118 -7.607 -4.969 -6.747 1.00 12.33 C ATOM 1431 CD LYS A 118 -8.090 -4.096 -7.894 1.00 3.54 C ATOM 1432 CE LYS A 118 -9.494 -4.479 -8.334 1.00 24.24 C ATOM 1433 NZ LYS A 118 -9.851 -3.868 -9.644 1.00 30.14 N ATOM 0 H LYS A 118 -3.605 -6.000 -7.774 1.00 1.12 H new ATOM 0 HA LYS A 118 -5.876 -7.125 -6.279 1.00 72.41 H new ATOM 0 HB2 LYS A 118 -5.763 -4.731 -5.692 1.00 5.34 H new ATOM 0 HB3 LYS A 118 -5.681 -4.297 -7.388 1.00 5.34 H new ATOM 0 HG2 LYS A 118 -8.006 -5.977 -6.863 1.00 12.33 H new ATOM 0 HG3 LYS A 118 -7.994 -4.580 -5.805 1.00 12.33 H new ATOM 0 HD2 LYS A 118 -8.077 -3.050 -7.587 1.00 3.54 H new ATOM 0 HD3 LYS A 118 -7.405 -4.190 -8.737 1.00 3.54 H new ATOM 0 HE2 LYS A 118 -9.568 -5.564 -8.407 1.00 24.24 H new ATOM 0 HE3 LYS A 118 -10.211 -4.161 -7.577 1.00 24.24 H new ATOM 0 HZ1 LYS A 118 -10.865 -4.010 -9.829 1.00 30.14 H new ATOM 0 HZ2 LYS A 118 -9.643 -2.849 -9.620 1.00 30.14 H new ATOM 0 HZ3 LYS A 118 -9.295 -4.317 -10.400 1.00 30.14 H new ATOM 1447 N THR A 119 -7.075 -7.609 -8.432 1.00 33.10 N ATOM 1448 CA THR A 119 -7.626 -8.099 -9.689 1.00 70.03 C ATOM 1449 C THR A 119 -7.797 -6.965 -10.693 1.00 52.52 C ATOM 1450 O THR A 119 -7.860 -5.789 -10.333 1.00 44.44 O ATOM 1451 CB THR A 119 -8.986 -8.791 -9.476 1.00 44.54 C ATOM 1452 OG1 THR A 119 -9.699 -8.151 -8.411 1.00 62.12 O ATOM 1453 CG2 THR A 119 -8.799 -10.266 -9.155 1.00 3.42 C ATOM 0 H THR A 119 -7.594 -7.898 -7.603 1.00 33.10 H new ATOM 0 HA THR A 119 -6.916 -8.826 -10.083 1.00 70.03 H new ATOM 0 HB THR A 119 -9.560 -8.708 -10.399 1.00 44.54 H new ATOM 0 HG1 THR A 119 -10.563 -8.595 -8.282 1.00 62.12 H new ATOM 0 HG21 THR A 119 -9.773 -10.733 -9.009 1.00 3.42 H new ATOM 0 HG22 THR A 119 -8.282 -10.755 -9.981 1.00 3.42 H new ATOM 0 HG23 THR A 119 -8.207 -10.368 -8.245 1.00 3.42 H new ATOM 1461 N PRO A 120 -7.877 -7.322 -11.984 1.00 23.43 N ATOM 1462 CA PRO A 120 -8.043 -6.348 -13.066 1.00 13.22 C ATOM 1463 C PRO A 120 -9.425 -5.704 -13.058 1.00 55.14 C ATOM 1464 O PRO A 120 -10.282 -6.061 -12.251 1.00 54.04 O ATOM 1465 CB PRO A 120 -7.852 -7.188 -14.331 1.00 72.22 C ATOM 1466 CG PRO A 120 -8.220 -8.573 -13.926 1.00 63.51 C ATOM 1467 CD PRO A 120 -7.811 -8.705 -12.485 1.00 2.14 C ATOM 0 HA PRO A 120 -7.342 -5.518 -12.979 1.00 13.22 H new ATOM 0 HB2 PRO A 120 -8.486 -6.831 -15.142 1.00 72.22 H new ATOM 0 HB3 PRO A 120 -6.823 -7.140 -14.686 1.00 72.22 H new ATOM 0 HG2 PRO A 120 -9.290 -8.743 -14.045 1.00 63.51 H new ATOM 0 HG3 PRO A 120 -7.709 -9.310 -14.546 1.00 63.51 H new ATOM 0 HD2 PRO A 120 -8.483 -9.364 -11.935 1.00 2.14 H new ATOM 0 HD3 PRO A 120 -6.808 -9.120 -12.388 1.00 2.14 H new ATOM 1475 N ALA A 121 -9.634 -4.752 -13.962 1.00 75.45 N ATOM 1476 CA ALA A 121 -10.914 -4.059 -14.060 1.00 60.30 C ATOM 1477 C ALA A 121 -11.722 -4.566 -15.250 1.00 53.33 C ATOM 1478 O ALA A 121 -12.934 -4.364 -15.319 1.00 63.12 O ATOM 1479 CB ALA A 121 -10.694 -2.558 -14.170 1.00 5.41 C ATOM 0 H ALA A 121 -8.934 -4.443 -14.637 1.00 75.45 H new ATOM 0 HA ALA A 121 -11.482 -4.266 -13.153 1.00 60.30 H new ATOM 0 HB1 ALA A 121 -11.657 -2.053 -14.242 1.00 5.41 H new ATOM 0 HB2 ALA A 121 -10.164 -2.202 -13.287 1.00 5.41 H new ATOM 0 HB3 ALA A 121 -10.103 -2.341 -15.060 1.00 5.41 H new