USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 35 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 85 CYS SG : rot 114:sc= 1.24 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.047 USER MOD Single : A 47 THR OG1 : rot -17:sc= 0.557 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0872) USER MOD Single : A 56 SER OG : rot 180:sc= -0.105 USER MOD Single : A 62 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.94) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00616) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.816 K(o=-0.82,f=-5.1!) USER MOD Single : A 80 SER OG : rot -87:sc= 1.2 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -0.193 USER MOD Single : A 93 SER OG : rot 140:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.414 -14.114 -4.273 1.00 0.00 N ATOM 131 CA TRP A 13 11.351 -12.762 -4.816 1.00 0.00 C ATOM 132 C TRP A 13 11.164 -11.736 -3.703 1.00 0.00 C ATOM 133 O TRP A 13 11.959 -10.806 -3.565 1.00 0.00 O ATOM 134 CB TRP A 13 10.208 -12.650 -5.827 1.00 0.00 C ATOM 135 CG TRP A 13 10.590 -13.096 -7.206 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.108 -14.183 -7.878 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.534 -12.468 -8.080 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.696 -14.268 -9.117 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.574 -13.228 -9.265 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.348 -11.337 -7.977 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.396 -12.891 -10.337 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.164 -11.005 -9.041 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.183 -11.779 -10.209 1.00 0.00 C ATOM 0 HA TRP A 13 12.295 -12.555 -5.320 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.365 -13.248 -5.480 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.869 -11.615 -5.868 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.373 -14.874 -7.492 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.509 -14.989 -9.814 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.339 -10.733 -7.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.412 -13.486 -11.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.798 -10.134 -8.971 1.00 0.00 H new ATOM 0 HH2 TRP A 13 13.831 -11.492 -11.024 1.00 0.00 H new ATOM 154 N ILE A 14 10.111 -11.912 -2.913 1.00 0.00 N ATOM 155 CA ILE A 14 9.822 -11.002 -1.812 1.00 0.00 C ATOM 156 C ILE A 14 10.781 -11.226 -0.647 1.00 0.00 C ATOM 157 O ILE A 14 10.561 -12.099 0.193 1.00 0.00 O ATOM 158 CB ILE A 14 8.375 -11.167 -1.310 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.387 -10.974 -2.462 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.088 -10.180 -0.188 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.057 -11.658 -2.238 1.00 0.00 C ATOM 0 H ILE A 14 9.444 -12.677 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 14 9.951 -9.990 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 14 8.255 -12.177 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.218 -9.907 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.833 -11.356 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.062 -10.309 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.774 -10.361 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.223 -9.163 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.407 -11.479 -3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.215 -12.730 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.590 -11.259 -1.338 1.00 0.00 H new ATOM 173 N VAL A 15 11.845 -10.430 -0.603 1.00 0.00 N ATOM 174 CA VAL A 15 12.836 -10.539 0.461 1.00 0.00 C ATOM 175 C VAL A 15 12.289 -10.004 1.779 1.00 0.00 C ATOM 176 O VAL A 15 12.644 -10.490 2.853 1.00 0.00 O ATOM 177 CB VAL A 15 14.126 -9.776 0.105 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.848 -8.287 -0.023 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.204 -10.038 1.147 1.00 0.00 C ATOM 0 H VAL A 15 12.043 -9.703 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 15 13.067 -11.598 0.571 1.00 0.00 H new ATOM 0 HB VAL A 15 14.487 -10.137 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.771 -7.765 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.111 -8.121 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.462 -7.906 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.109 -9.491 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.854 -9.705 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.423 -11.105 1.184 1.00 0.00 H new ATOM 189 N TYR A 16 11.424 -9.000 1.690 1.00 0.00 N ATOM 190 CA TYR A 16 10.829 -8.397 2.877 1.00 0.00 C ATOM 191 C TYR A 16 9.534 -7.670 2.527 1.00 0.00 C ATOM 192 O TYR A 16 9.386 -7.096 1.448 1.00 0.00 O ATOM 193 CB TYR A 16 11.813 -7.424 3.528 1.00 0.00 C ATOM 194 CG TYR A 16 11.151 -6.403 4.426 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.335 -5.410 3.898 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.341 -6.432 5.802 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.729 -4.475 4.714 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.738 -5.502 6.626 1.00 0.00 C ATOM 199 CZ TYR A 16 9.933 -4.525 6.078 1.00 0.00 C ATOM 200 OH TYR A 16 9.331 -3.596 6.895 1.00 0.00 O ATOM 0 H TYR A 16 11.119 -8.587 0.809 1.00 0.00 H new ATOM 0 HA TYR A 16 10.598 -9.195 3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.540 -7.991 4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.367 -6.903 2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.172 -5.369 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.971 -7.195 6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.099 -3.709 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.896 -5.539 7.694 1.00 0.00 H new ATOM 0 HH TYR A 16 9.576 -3.772 7.827 1.00 0.00 H new ATOM 210 N PRO A 17 8.572 -7.693 3.462 1.00 0.00 N ATOM 211 CA PRO A 17 8.737 -8.373 4.750 1.00 0.00 C ATOM 212 C PRO A 17 8.768 -9.891 4.604 1.00 0.00 C ATOM 213 O PRO A 17 8.489 -10.427 3.532 1.00 0.00 O ATOM 214 CB PRO A 17 7.501 -7.938 5.541 1.00 0.00 C ATOM 215 CG PRO A 17 6.484 -7.607 4.504 1.00 0.00 C ATOM 216 CD PRO A 17 7.250 -7.058 3.333 1.00 0.00 C ATOM 0 HA PRO A 17 9.681 -8.114 5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.151 -8.734 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.718 -7.076 6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.916 -8.492 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.768 -6.876 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.773 -7.312 2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.321 -5.971 3.373 1.00 0.00 H new ATOM 224 N SER A 18 9.109 -10.578 5.689 1.00 0.00 N ATOM 225 CA SER A 18 9.180 -12.035 5.681 1.00 0.00 C ATOM 226 C SER A 18 7.964 -12.642 6.375 1.00 0.00 C ATOM 227 O SER A 18 8.089 -13.305 7.403 1.00 0.00 O ATOM 228 CB SER A 18 10.463 -12.508 6.368 1.00 0.00 C ATOM 229 OG SER A 18 10.879 -13.764 5.862 1.00 0.00 O ATOM 0 H SER A 18 9.341 -10.150 6.585 1.00 0.00 H new ATOM 0 HA SER A 18 9.188 -12.368 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.253 -11.772 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.298 -12.582 7.443 1.00 0.00 H new ATOM 0 HG SER A 18 11.701 -14.043 6.316 1.00 0.00 H new ATOM 235 N GLY A 19 6.787 -12.409 5.802 1.00 0.00 N ATOM 236 CA GLY A 19 5.565 -12.939 6.378 1.00 0.00 C ATOM 237 C GLY A 19 4.404 -11.971 6.265 1.00 0.00 C ATOM 238 O GLY A 19 4.237 -11.305 5.243 1.00 0.00 O ATOM 0 H GLY A 19 6.658 -11.863 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.306 -13.872 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.735 -13.177 7.428 1.00 0.00 H new ATOM 242 N LYS A 20 3.596 -11.893 7.318 1.00 0.00 N ATOM 243 CA LYS A 20 2.444 -11.000 7.334 1.00 0.00 C ATOM 244 C LYS A 20 2.763 -9.713 8.087 1.00 0.00 C ATOM 245 O LYS A 20 3.512 -9.723 9.065 1.00 0.00 O ATOM 246 CB LYS A 20 1.243 -11.696 7.979 1.00 0.00 C ATOM 247 CG LYS A 20 0.525 -12.657 7.047 1.00 0.00 C ATOM 248 CD LYS A 20 -0.956 -12.749 7.375 1.00 0.00 C ATOM 249 CE LYS A 20 -1.518 -14.121 7.033 1.00 0.00 C ATOM 250 NZ LYS A 20 -3.005 -14.107 6.954 1.00 0.00 N ATOM 0 H LYS A 20 3.719 -12.438 8.171 1.00 0.00 H new ATOM 0 HA LYS A 20 2.199 -10.745 6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.580 -12.241 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.537 -10.940 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.651 -12.327 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.978 -13.646 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.108 -12.546 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.501 -11.983 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.107 -14.455 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.201 -14.842 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.349 -15.060 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.399 -13.813 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.307 -13.438 6.217 1.00 0.00 H new ATOM 264 N VAL A 21 2.190 -8.605 7.627 1.00 0.00 N ATOM 265 CA VAL A 21 2.412 -7.310 8.259 1.00 0.00 C ATOM 266 C VAL A 21 1.100 -6.555 8.439 1.00 0.00 C ATOM 267 O VAL A 21 0.385 -6.293 7.472 1.00 0.00 O ATOM 268 CB VAL A 21 3.383 -6.443 7.436 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.494 -5.050 8.037 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.748 -7.107 7.351 1.00 0.00 C ATOM 0 H VAL A 21 1.568 -8.579 6.819 1.00 0.00 H new ATOM 0 HA VAL A 21 2.852 -7.506 9.237 1.00 0.00 H new ATOM 0 HB VAL A 21 2.989 -6.346 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.184 -4.451 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.513 -4.576 8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.865 -5.123 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.421 -6.481 6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.153 -7.236 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.650 -8.081 6.871 1.00 0.00 H new ATOM 280 N TYR A 22 0.790 -6.206 9.683 1.00 0.00 N ATOM 281 CA TYR A 22 -0.437 -5.482 9.990 1.00 0.00 C ATOM 282 C TYR A 22 -0.187 -3.977 10.030 1.00 0.00 C ATOM 283 O TYR A 22 0.773 -3.512 10.645 1.00 0.00 O ATOM 284 CB TYR A 22 -1.009 -5.950 11.329 1.00 0.00 C ATOM 285 CG TYR A 22 -1.720 -7.282 11.252 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.111 -8.383 10.662 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.999 -7.440 11.769 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.757 -9.602 10.588 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.652 -8.656 11.701 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.027 -9.734 11.109 1.00 0.00 C ATOM 291 OH TYR A 22 -3.673 -10.947 11.039 1.00 0.00 O ATOM 0 H TYR A 22 1.372 -6.413 10.495 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.159 -5.691 9.200 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.199 -6.021 12.055 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.705 -5.197 11.700 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.116 -8.284 10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.492 -6.598 12.232 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.270 -10.447 10.125 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.646 -8.762 12.109 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.558 -10.871 11.453 1.00 0.00 H new ATOM 301 N VAL A 23 -1.057 -3.221 9.368 1.00 0.00 N ATOM 302 CA VAL A 23 -0.933 -1.769 9.328 1.00 0.00 C ATOM 303 C VAL A 23 -2.281 -1.096 9.559 1.00 0.00 C ATOM 304 O VAL A 23 -3.265 -1.406 8.888 1.00 0.00 O ATOM 305 CB VAL A 23 -0.357 -1.292 7.982 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.174 0.218 7.984 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.958 -1.996 7.686 1.00 0.00 C ATOM 0 H VAL A 23 -1.856 -3.590 8.852 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.248 -1.487 10.128 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.065 -1.547 7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.234 0.536 7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.137 0.701 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.513 0.500 8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.351 -1.647 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.675 -1.774 8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.792 -3.072 7.638 1.00 0.00 H new ATOM 317 N ALA A 24 -2.319 -0.171 10.513 1.00 0.00 N ATOM 318 CA ALA A 24 -3.546 0.549 10.831 1.00 0.00 C ATOM 319 C ALA A 24 -3.516 1.963 10.262 1.00 0.00 C ATOM 320 O ALA A 24 -2.510 2.664 10.369 1.00 0.00 O ATOM 321 CB ALA A 24 -3.760 0.588 12.337 1.00 0.00 C ATOM 0 H ALA A 24 -1.514 0.097 11.079 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.379 0.018 10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.680 1.129 12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.835 -0.430 12.720 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.918 1.093 12.811 1.00 0.00 H new ATOM 327 N ALA A 25 -4.625 2.377 9.658 1.00 0.00 N ATOM 328 CA ALA A 25 -4.725 3.708 9.074 1.00 0.00 C ATOM 329 C ALA A 25 -6.044 4.374 9.448 1.00 0.00 C ATOM 330 O ALA A 25 -6.914 3.752 10.058 1.00 0.00 O ATOM 331 CB ALA A 25 -4.580 3.633 7.561 1.00 0.00 C ATOM 0 H ALA A 25 -5.467 1.809 9.561 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.914 4.316 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.657 4.635 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.609 3.206 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.370 3.004 7.150 1.00 0.00 H new ATOM 337 N VAL A 26 -6.187 5.644 9.080 1.00 0.00 N ATOM 338 CA VAL A 26 -7.401 6.394 9.377 1.00 0.00 C ATOM 339 C VAL A 26 -7.949 7.071 8.126 1.00 0.00 C ATOM 340 O VAL A 26 -7.211 7.335 7.177 1.00 0.00 O ATOM 341 CB VAL A 26 -7.150 7.463 10.458 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.439 7.789 11.196 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.074 6.997 11.427 1.00 0.00 C ATOM 0 H VAL A 26 -5.477 6.174 8.576 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.133 5.677 9.748 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.799 8.373 9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.242 8.546 11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.177 8.168 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.823 6.887 11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.909 7.764 12.184 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.394 6.074 11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.147 6.819 10.883 1.00 0.00 H new ATOM 353 N ARG A 27 -9.248 7.350 8.132 1.00 0.00 N ATOM 354 CA ARG A 27 -9.896 7.996 6.996 1.00 0.00 C ATOM 355 C ARG A 27 -9.058 9.165 6.485 1.00 0.00 C ATOM 356 O ARG A 27 -8.827 10.138 7.204 1.00 0.00 O ATOM 357 CB ARG A 27 -11.290 8.488 7.389 1.00 0.00 C ATOM 358 CG ARG A 27 -12.078 9.076 6.230 1.00 0.00 C ATOM 359 CD ARG A 27 -13.573 8.859 6.405 1.00 0.00 C ATOM 360 NE ARG A 27 -14.357 9.926 5.789 1.00 0.00 N ATOM 361 CZ ARG A 27 -14.511 11.130 6.329 1.00 0.00 C ATOM 362 NH1 ARG A 27 -13.939 11.418 7.489 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.240 12.048 5.707 1.00 0.00 N ATOM 0 H ARG A 27 -9.873 7.139 8.910 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.989 7.261 6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.852 7.657 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.193 9.241 8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.871 10.143 6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.750 8.619 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.854 7.902 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.809 8.803 7.468 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.811 9.737 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.379 10.714 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.059 12.343 7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.682 11.829 4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.358 12.972 6.122 1.00 0.00 H new ATOM 377 N LEU A 28 -8.605 9.061 5.241 1.00 0.00 N ATOM 378 CA LEU A 28 -7.793 10.109 4.633 1.00 0.00 C ATOM 379 C LEU A 28 -6.435 10.214 5.321 1.00 0.00 C ATOM 380 O LEU A 28 -5.890 11.306 5.475 1.00 0.00 O ATOM 381 CB LEU A 28 -8.519 11.453 4.706 1.00 0.00 C ATOM 382 CG LEU A 28 -9.981 11.451 4.258 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.660 12.756 4.643 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.079 11.219 2.758 1.00 0.00 C ATOM 0 H LEU A 28 -8.786 8.262 4.634 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.631 9.847 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.475 11.811 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.973 12.172 4.095 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.495 10.635 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.700 12.736 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.623 12.880 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.145 13.589 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.127 11.221 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.549 12.013 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.632 10.257 2.509 1.00 0.00 H new ATOM 396 N GLU A 29 -5.896 9.070 5.731 1.00 0.00 N ATOM 397 CA GLU A 29 -4.601 9.034 6.402 1.00 0.00 C ATOM 398 C GLU A 29 -3.482 8.739 5.408 1.00 0.00 C ATOM 399 O GLU A 29 -3.722 8.199 4.328 1.00 0.00 O ATOM 400 CB GLU A 29 -4.606 7.980 7.511 1.00 0.00 C ATOM 401 CG GLU A 29 -3.291 7.887 8.267 1.00 0.00 C ATOM 402 CD GLU A 29 -2.987 9.141 9.064 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.832 9.537 9.893 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.902 9.725 8.858 1.00 0.00 O ATOM 0 H GLU A 29 -6.335 8.157 5.611 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.421 10.014 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.405 8.210 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.835 7.007 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.324 7.031 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.482 7.705 7.560 1.00 0.00 H new ATOM 411 N ARG A 30 -2.258 9.098 5.781 1.00 0.00 N ATOM 412 CA ARG A 30 -1.101 8.873 4.923 1.00 0.00 C ATOM 413 C ARG A 30 -0.270 7.696 5.426 1.00 0.00 C ATOM 414 O ARG A 30 0.479 7.821 6.395 1.00 0.00 O ATOM 415 CB ARG A 30 -0.234 10.132 4.859 1.00 0.00 C ATOM 416 CG ARG A 30 0.955 10.006 3.921 1.00 0.00 C ATOM 417 CD ARG A 30 2.148 9.369 4.616 1.00 0.00 C ATOM 418 NE ARG A 30 3.387 9.569 3.870 1.00 0.00 N ATOM 419 CZ ARG A 30 4.126 10.670 3.953 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.752 11.665 4.745 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.241 10.777 3.242 1.00 0.00 N ATOM 0 H ARG A 30 -2.042 9.546 6.672 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.464 8.638 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.851 10.972 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.127 10.365 5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.675 9.407 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.233 10.992 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.254 9.792 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.968 8.301 4.740 1.00 0.00 H new ATOM 0 HE ARG A 30 3.703 8.822 3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.895 11.586 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.321 12.509 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.531 10.014 2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.808 11.623 3.306 1.00 0.00 H new ATOM 435 N VAL A 31 -0.409 6.553 4.762 1.00 0.00 N ATOM 436 CA VAL A 31 0.328 5.354 5.142 1.00 0.00 C ATOM 437 C VAL A 31 1.480 5.090 4.179 1.00 0.00 C ATOM 438 O VAL A 31 1.518 5.633 3.075 1.00 0.00 O ATOM 439 CB VAL A 31 -0.590 4.118 5.178 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.709 4.314 6.189 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.155 3.834 3.794 1.00 0.00 C ATOM 0 H VAL A 31 -1.025 6.432 3.958 1.00 0.00 H new ATOM 0 HA VAL A 31 0.726 5.530 6.141 1.00 0.00 H new ATOM 0 HB VAL A 31 0.001 3.256 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.348 3.431 6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.281 4.466 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.301 5.186 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.801 2.957 3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.732 4.694 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.337 3.647 3.098 1.00 0.00 H new ATOM 451 N VAL A 32 2.419 4.250 4.604 1.00 0.00 N ATOM 452 CA VAL A 32 3.572 3.911 3.779 1.00 0.00 C ATOM 453 C VAL A 32 3.942 2.440 3.929 1.00 0.00 C ATOM 454 O VAL A 32 4.415 2.011 4.982 1.00 0.00 O ATOM 455 CB VAL A 32 4.795 4.776 4.141 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.020 4.322 3.361 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.502 6.246 3.882 1.00 0.00 C ATOM 0 H VAL A 32 2.403 3.792 5.515 1.00 0.00 H new ATOM 0 HA VAL A 32 3.290 4.108 2.745 1.00 0.00 H new ATOM 0 HB VAL A 32 5.005 4.652 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.874 4.944 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.239 3.282 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.826 4.414 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.376 6.843 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.266 6.390 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.653 6.560 4.490 1.00 0.00 H new ATOM 467 N LEU A 33 3.724 1.670 2.868 1.00 0.00 N ATOM 468 CA LEU A 33 4.035 0.245 2.881 1.00 0.00 C ATOM 469 C LEU A 33 5.491 0.002 2.498 1.00 0.00 C ATOM 470 O LEU A 33 6.033 0.669 1.616 1.00 0.00 O ATOM 471 CB LEU A 33 3.111 -0.507 1.921 1.00 0.00 C ATOM 472 CG LEU A 33 1.820 -1.058 2.526 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.157 -0.014 3.411 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.867 -1.512 1.429 1.00 0.00 C ATOM 0 H LEU A 33 3.333 2.009 1.989 1.00 0.00 H new ATOM 0 HA LEU A 33 3.878 -0.127 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.848 0.163 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.669 -1.337 1.487 1.00 0.00 H new ATOM 0 HG LEU A 33 2.071 -1.921 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.239 -0.424 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.835 0.263 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.920 0.869 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.046 -1.901 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.623 -0.666 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.341 -2.294 0.836 1.00 0.00 H new ATOM 486 N THR A 34 6.121 -0.960 3.166 1.00 0.00 N ATOM 487 CA THR A 34 7.514 -1.292 2.895 1.00 0.00 C ATOM 488 C THR A 34 7.639 -2.683 2.283 1.00 0.00 C ATOM 489 O THR A 34 7.272 -3.681 2.905 1.00 0.00 O ATOM 490 CB THR A 34 8.366 -1.231 4.177 1.00 0.00 C ATOM 491 OG1 THR A 34 8.111 -0.007 4.876 1.00 0.00 O ATOM 492 CG2 THR A 34 9.847 -1.334 3.848 1.00 0.00 C ATOM 0 H THR A 34 5.688 -1.523 3.898 1.00 0.00 H new ATOM 0 HA THR A 34 7.883 -0.551 2.186 1.00 0.00 H new ATOM 0 HB THR A 34 8.092 -2.075 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.655 0.024 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.428 -1.289 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.042 -2.279 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.133 -0.508 3.197 1.00 0.00 H new ATOM 500 N CYS A 35 8.157 -2.742 1.061 1.00 0.00 N ATOM 501 CA CYS A 35 8.330 -4.011 0.364 1.00 0.00 C ATOM 502 C CYS A 35 9.657 -4.042 -0.388 1.00 0.00 C ATOM 503 O CYS A 35 9.813 -3.382 -1.415 1.00 0.00 O ATOM 504 CB CYS A 35 7.173 -4.245 -0.608 1.00 0.00 C ATOM 505 SG CYS A 35 6.820 -5.989 -0.930 1.00 0.00 S ATOM 0 H CYS A 35 8.464 -1.925 0.533 1.00 0.00 H new ATOM 0 HA CYS A 35 8.336 -4.808 1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.276 -3.772 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.401 -3.751 -1.553 1.00 0.00 H new ATOM 0 HG CYS A 35 5.825 -6.084 -1.761 1.00 0.00 H new ATOM 511 N GLU A 36 10.608 -4.812 0.131 1.00 0.00 N ATOM 512 CA GLU A 36 11.922 -4.926 -0.492 1.00 0.00 C ATOM 513 C GLU A 36 11.992 -6.155 -1.392 1.00 0.00 C ATOM 514 O GLU A 36 11.173 -7.069 -1.280 1.00 0.00 O ATOM 515 CB GLU A 36 13.013 -5.001 0.578 1.00 0.00 C ATOM 516 CG GLU A 36 14.421 -4.868 0.022 1.00 0.00 C ATOM 517 CD GLU A 36 15.381 -4.236 1.011 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.408 -2.991 1.101 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.107 -4.988 1.695 1.00 0.00 O ATOM 0 H GLU A 36 10.494 -5.366 0.980 1.00 0.00 H new ATOM 0 HA GLU A 36 12.084 -4.039 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.845 -4.213 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.928 -5.951 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.791 -5.854 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.394 -4.267 -0.887 1.00 0.00 H new ATOM 526 N LEU A 37 12.975 -6.172 -2.286 1.00 0.00 N ATOM 527 CA LEU A 37 13.153 -7.288 -3.207 1.00 0.00 C ATOM 528 C LEU A 37 14.615 -7.719 -3.265 1.00 0.00 C ATOM 529 O LEU A 37 15.517 -6.929 -2.982 1.00 0.00 O ATOM 530 CB LEU A 37 12.668 -6.903 -4.606 1.00 0.00 C ATOM 531 CG LEU A 37 11.243 -6.357 -4.695 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.926 -5.921 -6.118 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.241 -7.399 -4.220 1.00 0.00 C ATOM 0 H LEU A 37 13.661 -5.425 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 37 12.560 -8.126 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.349 -6.154 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.740 -7.781 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 37 11.168 -5.486 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.908 -5.535 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.623 -5.141 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.020 -6.774 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.232 -6.992 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.318 -8.289 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.454 -7.663 -3.184 1.00 0.00 H new ATOM 545 N CYS A 38 14.842 -8.975 -3.633 1.00 0.00 N ATOM 546 CA CYS A 38 16.196 -9.511 -3.729 1.00 0.00 C ATOM 547 C CYS A 38 16.851 -9.100 -5.043 1.00 0.00 C ATOM 548 O CYS A 38 17.969 -9.517 -5.348 1.00 0.00 O ATOM 549 CB CYS A 38 16.172 -11.035 -3.612 1.00 0.00 C ATOM 550 SG CYS A 38 15.179 -11.858 -4.879 1.00 0.00 S ATOM 0 H CYS A 38 14.107 -9.641 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 38 16.783 -9.100 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.194 -11.409 -3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.786 -11.307 -2.630 1.00 0.00 H new ATOM 0 HG CYS A 38 15.223 -13.144 -4.697 1.00 0.00 H new ATOM 556 N ARG A 39 16.148 -8.281 -5.819 1.00 0.00 N ATOM 557 CA ARG A 39 16.660 -7.816 -7.102 1.00 0.00 C ATOM 558 C ARG A 39 16.243 -6.372 -7.363 1.00 0.00 C ATOM 559 O ARG A 39 15.104 -5.975 -7.117 1.00 0.00 O ATOM 560 CB ARG A 39 16.157 -8.716 -8.233 1.00 0.00 C ATOM 561 CG ARG A 39 16.930 -10.018 -8.364 1.00 0.00 C ATOM 562 CD ARG A 39 18.269 -9.805 -9.051 1.00 0.00 C ATOM 563 NE ARG A 39 19.340 -9.542 -8.093 1.00 0.00 N ATOM 564 CZ ARG A 39 20.625 -9.764 -8.347 1.00 0.00 C ATOM 565 NH1 ARG A 39 20.997 -10.250 -9.524 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.541 -9.499 -7.424 1.00 0.00 N ATOM 0 H ARG A 39 15.222 -7.926 -5.581 1.00 0.00 H new ATOM 0 HA ARG A 39 17.749 -7.861 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.104 -8.943 -8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.218 -8.171 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.092 -10.447 -7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.339 -10.737 -8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.518 -10.687 -9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.191 -8.969 -9.746 1.00 0.00 H new ATOM 0 HE ARG A 39 19.087 -9.167 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.296 -10.454 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.984 -10.420 -9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 39 21.259 -9.124 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.527 -9.670 -7.620 1.00 0.00 H new ATOM 580 N PRO A 40 17.186 -5.566 -7.873 1.00 0.00 N ATOM 581 CA PRO A 40 16.940 -4.153 -8.179 1.00 0.00 C ATOM 582 C PRO A 40 16.003 -3.973 -9.368 1.00 0.00 C ATOM 583 O PRO A 40 15.040 -3.209 -9.301 1.00 0.00 O ATOM 584 CB PRO A 40 18.334 -3.614 -8.509 1.00 0.00 C ATOM 585 CG PRO A 40 19.101 -4.804 -8.973 1.00 0.00 C ATOM 586 CD PRO A 40 18.565 -5.972 -8.192 1.00 0.00 C ATOM 0 HA PRO A 40 16.453 -3.635 -7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.289 -2.846 -9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.800 -3.159 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.972 -4.958 -10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.169 -4.673 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.588 -6.891 -8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.149 -6.154 -7.290 1.00 0.00 H new ATOM 594 N TRP A 41 16.291 -4.679 -10.455 1.00 0.00 N ATOM 595 CA TRP A 41 15.473 -4.596 -11.660 1.00 0.00 C ATOM 596 C TRP A 41 14.269 -5.527 -11.565 1.00 0.00 C ATOM 597 O TRP A 41 13.748 -5.987 -12.580 1.00 0.00 O ATOM 598 CB TRP A 41 16.308 -4.946 -12.893 1.00 0.00 C ATOM 599 CG TRP A 41 17.351 -5.989 -12.628 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.697 -5.790 -12.510 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.134 -7.393 -12.449 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.330 -6.986 -12.269 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.393 -7.984 -12.226 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.998 -8.207 -12.453 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.545 -9.351 -12.012 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.151 -9.564 -12.241 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.416 -10.125 -12.022 1.00 0.00 C ATOM 0 H TRP A 41 17.085 -5.316 -10.527 1.00 0.00 H new ATOM 0 HA TRP A 41 15.111 -3.572 -11.754 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.645 -5.298 -13.684 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.793 -4.043 -13.262 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.191 -4.833 -12.594 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.335 -7.110 -12.143 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.018 -7.783 -12.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.519 -9.786 -11.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.280 -10.203 -12.244 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.502 -11.189 -11.858 1.00 0.00 H new ATOM 618 N ALA A 42 13.832 -5.799 -10.340 1.00 0.00 N ATOM 619 CA ALA A 42 12.687 -6.673 -10.114 1.00 0.00 C ATOM 620 C ALA A 42 11.388 -5.875 -10.069 1.00 0.00 C ATOM 621 O ALA A 42 11.143 -5.124 -9.125 1.00 0.00 O ATOM 622 CB ALA A 42 12.870 -7.460 -8.825 1.00 0.00 C ATOM 0 H ALA A 42 14.253 -5.427 -9.489 1.00 0.00 H new ATOM 0 HA ALA A 42 12.625 -7.372 -10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.008 -8.108 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.773 -8.067 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.961 -6.769 -7.987 1.00 0.00 H new ATOM 628 N GLU A 43 10.560 -6.043 -11.095 1.00 0.00 N ATOM 629 CA GLU A 43 9.287 -5.337 -11.172 1.00 0.00 C ATOM 630 C GLU A 43 8.227 -6.032 -10.322 1.00 0.00 C ATOM 631 O GLU A 43 8.105 -7.257 -10.341 1.00 0.00 O ATOM 632 CB GLU A 43 8.814 -5.248 -12.625 1.00 0.00 C ATOM 633 CG GLU A 43 9.506 -4.157 -13.424 1.00 0.00 C ATOM 634 CD GLU A 43 10.775 -4.642 -14.097 1.00 0.00 C ATOM 635 OE1 GLU A 43 10.721 -5.686 -14.781 1.00 0.00 O ATOM 636 OE2 GLU A 43 11.821 -3.979 -13.939 1.00 0.00 O ATOM 0 H GLU A 43 10.748 -6.662 -11.884 1.00 0.00 H new ATOM 0 HA GLU A 43 9.436 -4.329 -10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.984 -6.208 -13.113 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.739 -5.070 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.821 -3.776 -14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.745 -3.324 -12.763 1.00 0.00 H new ATOM 643 N VAL A 44 7.461 -5.241 -9.577 1.00 0.00 N ATOM 644 CA VAL A 44 6.411 -5.779 -8.721 1.00 0.00 C ATOM 645 C VAL A 44 5.047 -5.217 -9.105 1.00 0.00 C ATOM 646 O VAL A 44 4.953 -4.246 -9.857 1.00 0.00 O ATOM 647 CB VAL A 44 6.683 -5.468 -7.237 1.00 0.00 C ATOM 648 CG1 VAL A 44 8.111 -5.837 -6.866 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.409 -4.001 -6.942 1.00 0.00 C ATOM 0 H VAL A 44 7.548 -4.225 -9.549 1.00 0.00 H new ATOM 0 HA VAL A 44 6.409 -6.860 -8.864 1.00 0.00 H new ATOM 0 HB VAL A 44 6.009 -6.070 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.284 -5.610 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.268 -6.902 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.806 -5.264 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.606 -3.799 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.057 -3.379 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.367 -3.773 -7.166 1.00 0.00 H new ATOM 659 N ARG A 45 3.991 -5.834 -8.585 1.00 0.00 N ATOM 660 CA ARG A 45 2.631 -5.396 -8.874 1.00 0.00 C ATOM 661 C ARG A 45 1.713 -5.649 -7.681 1.00 0.00 C ATOM 662 O ARG A 45 1.641 -6.766 -7.168 1.00 0.00 O ATOM 663 CB ARG A 45 2.091 -6.120 -10.109 1.00 0.00 C ATOM 664 CG ARG A 45 0.659 -5.748 -10.455 1.00 0.00 C ATOM 665 CD ARG A 45 0.231 -6.354 -11.783 1.00 0.00 C ATOM 666 NE ARG A 45 1.092 -5.925 -12.882 1.00 0.00 N ATOM 667 CZ ARG A 45 1.076 -4.700 -13.394 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.247 -3.786 -12.909 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.890 -4.386 -14.394 1.00 0.00 N ATOM 0 H ARG A 45 4.051 -6.639 -7.961 1.00 0.00 H new ATOM 0 HA ARG A 45 2.655 -4.324 -9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.732 -5.895 -10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.148 -7.196 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.008 -6.092 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.565 -4.663 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.252 -7.441 -11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.799 -6.069 -11.997 1.00 0.00 H new ATOM 0 HE ARG A 45 1.742 -6.604 -13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.381 -4.023 -12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.237 -2.846 -13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.529 -5.086 -14.770 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.876 -3.445 -14.786 1.00 0.00 H new ATOM 683 N TRP A 46 1.016 -4.606 -7.247 1.00 0.00 N ATOM 684 CA TRP A 46 0.103 -4.716 -6.114 1.00 0.00 C ATOM 685 C TRP A 46 -1.301 -5.086 -6.580 1.00 0.00 C ATOM 686 O TRP A 46 -1.788 -4.572 -7.588 1.00 0.00 O ATOM 687 CB TRP A 46 0.064 -3.400 -5.335 1.00 0.00 C ATOM 688 CG TRP A 46 1.412 -2.956 -4.853 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.415 -2.416 -5.606 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.904 -3.016 -3.510 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.501 -2.137 -4.812 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.213 -2.495 -3.522 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.366 -3.457 -2.298 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.989 -2.405 -2.369 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.138 -3.368 -1.155 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.437 -2.844 -1.196 1.00 0.00 C ATOM 0 H TRP A 46 1.065 -3.675 -7.661 1.00 0.00 H new ATOM 0 HA TRP A 46 0.469 -5.507 -5.460 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.361 -2.623 -5.970 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.601 -3.512 -4.479 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.362 -2.235 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.380 -1.729 -5.132 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.365 -3.860 -2.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.991 -2.003 -2.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.733 -3.708 -0.214 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.014 -2.785 -0.285 1.00 0.00 H new ATOM 707 N THR A 47 -1.949 -5.981 -5.841 1.00 0.00 N ATOM 708 CA THR A 47 -3.296 -6.421 -6.179 1.00 0.00 C ATOM 709 C THR A 47 -4.202 -6.411 -4.953 1.00 0.00 C ATOM 710 O THR A 47 -3.828 -6.903 -3.888 1.00 0.00 O ATOM 711 CB THR A 47 -3.290 -7.836 -6.787 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.650 -8.751 -5.891 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.572 -7.846 -8.128 1.00 0.00 C ATOM 0 H THR A 47 -1.562 -6.416 -5.003 1.00 0.00 H new ATOM 0 HA THR A 47 -3.681 -5.718 -6.918 1.00 0.00 H new ATOM 0 HB THR A 47 -4.324 -8.144 -6.944 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.126 -8.250 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.581 -8.856 -8.538 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.079 -7.170 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.541 -7.519 -7.991 1.00 0.00 H new ATOM 721 N LYS A 48 -5.396 -5.848 -5.110 1.00 0.00 N ATOM 722 CA LYS A 48 -6.357 -5.776 -4.016 1.00 0.00 C ATOM 723 C LYS A 48 -7.450 -6.827 -4.181 1.00 0.00 C ATOM 724 O LYS A 48 -8.338 -6.686 -5.023 1.00 0.00 O ATOM 725 CB LYS A 48 -6.982 -4.380 -3.951 1.00 0.00 C ATOM 726 CG LYS A 48 -7.426 -3.977 -2.555 1.00 0.00 C ATOM 727 CD LYS A 48 -8.622 -3.041 -2.599 1.00 0.00 C ATOM 728 CE LYS A 48 -8.883 -2.405 -1.242 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.328 -2.111 -1.036 1.00 0.00 N ATOM 0 H LYS A 48 -5.721 -5.435 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.826 -5.974 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.260 -3.650 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.841 -4.344 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.681 -4.868 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.600 -3.490 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.448 -2.261 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.506 -3.593 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.532 -3.072 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.309 -1.482 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.478 -1.773 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.632 -1.378 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.884 -2.976 -1.192 1.00 0.00 H new ATOM 743 N ASP A 49 -7.380 -7.879 -3.373 1.00 0.00 N ATOM 744 CA ASP A 49 -8.365 -8.953 -3.429 1.00 0.00 C ATOM 745 C ASP A 49 -8.376 -9.610 -4.805 1.00 0.00 C ATOM 746 O ASP A 49 -9.435 -9.834 -5.389 1.00 0.00 O ATOM 747 CB ASP A 49 -9.757 -8.414 -3.096 1.00 0.00 C ATOM 748 CG ASP A 49 -9.787 -7.657 -1.782 1.00 0.00 C ATOM 749 OD1 ASP A 49 -9.136 -6.596 -1.695 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.460 -8.128 -0.842 1.00 0.00 O ATOM 0 H ASP A 49 -6.651 -8.011 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.088 -9.705 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.090 -7.756 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.463 -9.243 -3.050 1.00 0.00 H new ATOM 755 N GLY A 50 -7.188 -9.915 -5.320 1.00 0.00 N ATOM 756 CA GLY A 50 -7.083 -10.542 -6.624 1.00 0.00 C ATOM 757 C GLY A 50 -6.986 -9.529 -7.748 1.00 0.00 C ATOM 758 O GLY A 50 -6.325 -9.774 -8.757 1.00 0.00 O ATOM 0 H GLY A 50 -6.297 -9.739 -4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.205 -11.187 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.951 -11.180 -6.788 1.00 0.00 H new ATOM 762 N GLU A 51 -7.648 -8.389 -7.574 1.00 0.00 N ATOM 763 CA GLU A 51 -7.635 -7.338 -8.584 1.00 0.00 C ATOM 764 C GLU A 51 -6.329 -6.549 -8.532 1.00 0.00 C ATOM 765 O GLU A 51 -5.688 -6.461 -7.486 1.00 0.00 O ATOM 766 CB GLU A 51 -8.822 -6.393 -8.384 1.00 0.00 C ATOM 767 CG GLU A 51 -10.172 -7.064 -8.575 1.00 0.00 C ATOM 768 CD GLU A 51 -11.287 -6.353 -7.831 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.288 -6.396 -6.583 1.00 0.00 O ATOM 770 OE2 GLU A 51 -12.157 -5.754 -8.497 1.00 0.00 O ATOM 0 H GLU A 51 -8.199 -8.170 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.716 -7.810 -9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.774 -5.970 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.736 -5.562 -9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.411 -7.095 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.112 -8.097 -8.232 1.00 0.00 H new ATOM 777 N GLU A 52 -5.943 -5.979 -9.669 1.00 0.00 N ATOM 778 CA GLU A 52 -4.714 -5.200 -9.753 1.00 0.00 C ATOM 779 C GLU A 52 -4.993 -3.717 -9.529 1.00 0.00 C ATOM 780 O GLU A 52 -5.701 -3.082 -10.311 1.00 0.00 O ATOM 781 CB GLU A 52 -4.046 -5.404 -11.115 1.00 0.00 C ATOM 782 CG GLU A 52 -2.892 -4.451 -11.376 1.00 0.00 C ATOM 783 CD GLU A 52 -2.610 -4.268 -12.855 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.239 -5.261 -13.515 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.760 -3.132 -13.351 1.00 0.00 O ATOM 0 H GLU A 52 -6.463 -6.042 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.040 -5.548 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.682 -6.429 -11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.793 -5.280 -11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.118 -3.482 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.996 -4.828 -10.883 1.00 0.00 H new ATOM 792 N VAL A 53 -4.433 -3.171 -8.454 1.00 0.00 N ATOM 793 CA VAL A 53 -4.621 -1.763 -8.126 1.00 0.00 C ATOM 794 C VAL A 53 -4.109 -0.864 -9.246 1.00 0.00 C ATOM 795 O VAL A 53 -3.049 -1.113 -9.821 1.00 0.00 O ATOM 796 CB VAL A 53 -3.902 -1.391 -6.816 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.352 -2.301 -5.683 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.393 -1.460 -6.998 1.00 0.00 C ATOM 0 H VAL A 53 -3.845 -3.683 -7.796 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.693 -1.608 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.167 -0.366 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.833 -2.023 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.427 -2.197 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.118 -3.336 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.901 -1.194 -6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.107 -2.472 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.088 -0.763 -7.779 1.00 0.00 H new ATOM 808 N VAL A 54 -4.869 0.183 -9.552 1.00 0.00 N ATOM 809 CA VAL A 54 -4.492 1.120 -10.603 1.00 0.00 C ATOM 810 C VAL A 54 -4.184 2.497 -10.026 1.00 0.00 C ATOM 811 O VAL A 54 -4.872 2.970 -9.122 1.00 0.00 O ATOM 812 CB VAL A 54 -5.604 1.256 -11.660 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.880 1.791 -11.028 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.148 2.153 -12.801 1.00 0.00 C ATOM 0 H VAL A 54 -5.750 0.403 -9.087 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.597 0.719 -11.078 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.816 0.268 -12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.654 1.880 -11.790 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.215 1.106 -10.249 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.687 2.771 -10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.946 2.238 -13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.907 3.142 -12.412 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.264 1.723 -13.271 1.00 0.00 H new ATOM 824 N GLU A 55 -3.145 3.136 -10.556 1.00 0.00 N ATOM 825 CA GLU A 55 -2.746 4.460 -10.093 1.00 0.00 C ATOM 826 C GLU A 55 -3.946 5.399 -10.030 1.00 0.00 C ATOM 827 O GLU A 55 -4.881 5.284 -10.823 1.00 0.00 O ATOM 828 CB GLU A 55 -1.674 5.045 -11.014 1.00 0.00 C ATOM 829 CG GLU A 55 -0.259 4.645 -10.634 1.00 0.00 C ATOM 830 CD GLU A 55 0.671 4.579 -11.830 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.892 5.630 -12.467 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.176 3.477 -12.129 1.00 0.00 O ATOM 0 H GLU A 55 -2.565 2.758 -11.305 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.335 4.357 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.871 4.723 -12.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.751 6.132 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.135 5.360 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.280 3.673 -10.141 1.00 0.00 H new ATOM 839 N SER A 56 -3.914 6.329 -9.080 1.00 0.00 N ATOM 840 CA SER A 56 -5.001 7.286 -8.910 1.00 0.00 C ATOM 841 C SER A 56 -4.621 8.366 -7.901 1.00 0.00 C ATOM 842 O SER A 56 -3.631 8.255 -7.178 1.00 0.00 O ATOM 843 CB SER A 56 -6.273 6.569 -8.453 1.00 0.00 C ATOM 844 OG SER A 56 -5.971 5.304 -7.892 1.00 0.00 O ATOM 0 H SER A 56 -3.147 6.440 -8.417 1.00 0.00 H new ATOM 0 HA SER A 56 -5.187 7.762 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.795 7.181 -7.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.948 6.443 -9.300 1.00 0.00 H new ATOM 0 HG SER A 56 -6.800 4.866 -7.606 1.00 0.00 H new ATOM 850 N PRO A 57 -5.427 9.437 -7.850 1.00 0.00 N ATOM 851 CA PRO A 57 -5.197 10.558 -6.934 1.00 0.00 C ATOM 852 C PRO A 57 -5.448 10.177 -5.479 1.00 0.00 C ATOM 853 O PRO A 57 -5.363 11.018 -4.584 1.00 0.00 O ATOM 854 CB PRO A 57 -6.212 11.607 -7.395 1.00 0.00 C ATOM 855 CG PRO A 57 -7.297 10.822 -8.049 1.00 0.00 C ATOM 856 CD PRO A 57 -6.625 9.635 -8.683 1.00 0.00 C ATOM 0 HA PRO A 57 -4.164 10.904 -6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.594 12.185 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.761 12.315 -8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.043 10.505 -7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.816 11.422 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.270 8.756 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.364 9.829 -9.723 1.00 0.00 H new ATOM 864 N ALA A 58 -5.757 8.905 -5.249 1.00 0.00 N ATOM 865 CA ALA A 58 -6.017 8.414 -3.902 1.00 0.00 C ATOM 866 C ALA A 58 -5.068 7.277 -3.539 1.00 0.00 C ATOM 867 O ALA A 58 -5.059 6.800 -2.403 1.00 0.00 O ATOM 868 CB ALA A 58 -7.463 7.957 -3.777 1.00 0.00 C ATOM 0 H ALA A 58 -5.833 8.196 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.844 9.233 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.643 7.593 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.129 8.795 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.654 7.156 -4.491 1.00 0.00 H new ATOM 874 N LEU A 59 -4.272 6.845 -4.511 1.00 0.00 N ATOM 875 CA LEU A 59 -3.319 5.762 -4.294 1.00 0.00 C ATOM 876 C LEU A 59 -2.015 6.027 -5.040 1.00 0.00 C ATOM 877 O LEU A 59 -1.946 5.884 -6.262 1.00 0.00 O ATOM 878 CB LEU A 59 -3.918 4.430 -4.748 1.00 0.00 C ATOM 879 CG LEU A 59 -3.007 3.208 -4.627 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.821 1.966 -4.297 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.216 3.004 -5.911 1.00 0.00 C ATOM 0 H LEU A 59 -4.268 7.228 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.102 5.710 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.821 4.244 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.224 4.528 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.303 3.382 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.156 1.106 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.342 2.113 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.549 1.787 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.573 2.130 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.904 2.851 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.603 3.884 -6.105 1.00 0.00 H new ATOM 893 N LEU A 60 -0.982 6.411 -4.298 1.00 0.00 N ATOM 894 CA LEU A 60 0.321 6.693 -4.889 1.00 0.00 C ATOM 895 C LEU A 60 1.261 5.502 -4.729 1.00 0.00 C ATOM 896 O LEU A 60 1.457 4.996 -3.624 1.00 0.00 O ATOM 897 CB LEU A 60 0.938 7.934 -4.241 1.00 0.00 C ATOM 898 CG LEU A 60 0.096 9.209 -4.295 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.743 10.312 -3.473 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.098 9.659 -5.736 1.00 0.00 C ATOM 0 H LEU A 60 -1.022 6.534 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 60 0.177 6.879 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.150 7.706 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.895 8.134 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.883 8.993 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.129 11.211 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.829 9.990 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.735 10.527 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.700 10.568 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.873 9.857 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.607 8.875 -6.297 1.00 0.00 H new ATOM 912 N LEU A 61 1.841 5.061 -5.840 1.00 0.00 N ATOM 913 CA LEU A 61 2.763 3.930 -5.824 1.00 0.00 C ATOM 914 C LEU A 61 4.210 4.408 -5.765 1.00 0.00 C ATOM 915 O LEU A 61 4.725 4.977 -6.728 1.00 0.00 O ATOM 916 CB LEU A 61 2.552 3.057 -7.062 1.00 0.00 C ATOM 917 CG LEU A 61 1.159 2.446 -7.224 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.103 1.565 -8.462 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.779 1.651 -5.983 1.00 0.00 C ATOM 0 H LEU A 61 1.689 5.469 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 61 2.559 3.339 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.769 3.657 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.281 2.247 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 61 0.440 3.256 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.104 1.139 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.331 2.163 -9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.833 0.761 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.215 1.223 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.502 0.850 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.778 2.310 -5.115 1.00 0.00 H new ATOM 931 N GLN A 62 4.860 4.171 -4.631 1.00 0.00 N ATOM 932 CA GLN A 62 6.249 4.577 -4.448 1.00 0.00 C ATOM 933 C GLN A 62 7.201 3.447 -4.826 1.00 0.00 C ATOM 934 O GLN A 62 6.883 2.270 -4.654 1.00 0.00 O ATOM 935 CB GLN A 62 6.492 5.001 -2.998 1.00 0.00 C ATOM 936 CG GLN A 62 5.738 6.258 -2.597 1.00 0.00 C ATOM 937 CD GLN A 62 5.735 7.310 -3.689 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.770 7.605 -4.286 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.567 7.882 -3.957 1.00 0.00 N ATOM 0 H GLN A 62 4.448 3.700 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 62 6.442 5.425 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.200 4.186 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.559 5.165 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.710 5.996 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.188 6.676 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.733 7.607 -3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.503 8.596 -4.682 1.00 0.00 H new ATOM 948 N LYS A 63 8.369 3.812 -5.343 1.00 0.00 N ATOM 949 CA LYS A 63 9.368 2.829 -5.745 1.00 0.00 C ATOM 950 C LYS A 63 10.777 3.328 -5.438 1.00 0.00 C ATOM 951 O LYS A 63 11.221 4.336 -5.987 1.00 0.00 O ATOM 952 CB LYS A 63 9.239 2.522 -7.239 1.00 0.00 C ATOM 953 CG LYS A 63 7.844 2.088 -7.652 1.00 0.00 C ATOM 954 CD LYS A 63 6.966 3.281 -7.992 1.00 0.00 C ATOM 955 CE LYS A 63 7.283 3.830 -9.375 1.00 0.00 C ATOM 956 NZ LYS A 63 6.683 2.997 -10.453 1.00 0.00 N ATOM 0 H LYS A 63 8.647 4.782 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 63 9.193 1.916 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.518 3.408 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.948 1.737 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.909 1.425 -8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.386 1.516 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.917 2.987 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.109 4.064 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.910 4.851 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.364 3.874 -9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.864 3.441 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.108 2.048 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.657 2.920 -10.301 1.00 0.00 H new ATOM 970 N GLU A 64 11.473 2.616 -4.558 1.00 0.00 N ATOM 971 CA GLU A 64 12.832 2.988 -4.179 1.00 0.00 C ATOM 972 C GLU A 64 13.856 2.253 -5.039 1.00 0.00 C ATOM 973 O GLU A 64 13.499 1.543 -5.979 1.00 0.00 O ATOM 974 CB GLU A 64 13.075 2.679 -2.701 1.00 0.00 C ATOM 975 CG GLU A 64 13.845 3.767 -1.971 1.00 0.00 C ATOM 976 CD GLU A 64 12.996 4.990 -1.683 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.204 5.384 -2.564 1.00 0.00 O ATOM 978 OE2 GLU A 64 13.125 5.552 -0.575 1.00 0.00 O ATOM 0 H GLU A 64 11.119 1.779 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 64 12.948 4.059 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.115 2.531 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.623 1.740 -2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.230 3.367 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.707 4.061 -2.570 1.00 0.00 H new ATOM 985 N ASP A 65 15.131 2.429 -4.709 1.00 0.00 N ATOM 986 CA ASP A 65 16.209 1.783 -5.450 1.00 0.00 C ATOM 987 C ASP A 65 15.891 0.312 -5.699 1.00 0.00 C ATOM 988 O ASP A 65 15.727 -0.114 -6.843 1.00 0.00 O ATOM 989 CB ASP A 65 17.528 1.911 -4.686 1.00 0.00 C ATOM 990 CG ASP A 65 18.270 3.190 -5.022 1.00 0.00 C ATOM 991 OD1 ASP A 65 17.640 4.268 -4.985 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.480 3.113 -5.319 1.00 0.00 O ATOM 0 H ASP A 65 15.443 3.013 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 65 16.306 2.283 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.328 1.881 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.162 1.055 -4.916 1.00 0.00 H new ATOM 997 N THR A 66 15.807 -0.461 -4.621 1.00 0.00 N ATOM 998 CA THR A 66 15.511 -1.884 -4.723 1.00 0.00 C ATOM 999 C THR A 66 14.276 -2.249 -3.908 1.00 0.00 C ATOM 1000 O THR A 66 13.783 -3.375 -3.978 1.00 0.00 O ATOM 1001 CB THR A 66 16.699 -2.740 -4.245 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.315 -2.130 -3.106 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.726 -2.908 -5.354 1.00 0.00 C ATOM 0 H THR A 66 15.940 -0.125 -3.667 1.00 0.00 H new ATOM 0 HA THR A 66 15.322 -2.093 -5.776 1.00 0.00 H new ATOM 0 HB THR A 66 16.321 -3.725 -3.970 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.068 -2.681 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.555 -3.516 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.261 -3.399 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.098 -1.929 -5.656 1.00 0.00 H new ATOM 1011 N VAL A 67 13.779 -1.290 -3.134 1.00 0.00 N ATOM 1012 CA VAL A 67 12.599 -1.510 -2.306 1.00 0.00 C ATOM 1013 C VAL A 67 11.435 -0.639 -2.765 1.00 0.00 C ATOM 1014 O VAL A 67 11.594 0.562 -2.985 1.00 0.00 O ATOM 1015 CB VAL A 67 12.891 -1.215 -0.822 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.636 0.103 -0.676 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.600 -1.200 -0.018 1.00 0.00 C ATOM 0 H VAL A 67 14.175 -0.353 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 67 12.329 -2.560 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 67 13.527 -2.009 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.833 0.294 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.580 0.049 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.029 0.911 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.825 -0.990 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.937 -0.428 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.111 -2.171 -0.096 1.00 0.00 H new ATOM 1027 N ARG A 68 10.265 -1.252 -2.908 1.00 0.00 N ATOM 1028 CA ARG A 68 9.073 -0.533 -3.342 1.00 0.00 C ATOM 1029 C ARG A 68 8.188 -0.178 -2.151 1.00 0.00 C ATOM 1030 O ARG A 68 8.226 -0.845 -1.117 1.00 0.00 O ATOM 1031 CB ARG A 68 8.282 -1.374 -4.346 1.00 0.00 C ATOM 1032 CG ARG A 68 9.091 -1.787 -5.565 1.00 0.00 C ATOM 1033 CD ARG A 68 9.061 -0.715 -6.643 1.00 0.00 C ATOM 1034 NE ARG A 68 9.503 -1.228 -7.937 1.00 0.00 N ATOM 1035 CZ ARG A 68 10.767 -1.202 -8.345 1.00 0.00 C ATOM 1036 NH1 ARG A 68 11.709 -0.692 -7.565 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.090 -1.688 -9.537 1.00 0.00 N ATOM 0 H ARG A 68 10.117 -2.245 -2.730 1.00 0.00 H new ATOM 0 HA ARG A 68 9.392 0.391 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.912 -2.269 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.410 -0.808 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.123 -1.979 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.695 -2.720 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.049 -0.322 -6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.700 0.117 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 68 8.803 -1.628 -8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.465 -0.318 -6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.678 -0.674 -7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.368 -2.082 -10.140 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.061 -1.668 -9.850 1.00 0.00 H new ATOM 1051 N ARG A 69 7.393 0.876 -2.304 1.00 0.00 N ATOM 1052 CA ARG A 69 6.500 1.320 -1.241 1.00 0.00 C ATOM 1053 C ARG A 69 5.190 1.849 -1.817 1.00 0.00 C ATOM 1054 O ARG A 69 5.151 2.352 -2.941 1.00 0.00 O ATOM 1055 CB ARG A 69 7.175 2.405 -0.400 1.00 0.00 C ATOM 1056 CG ARG A 69 8.320 1.889 0.455 1.00 0.00 C ATOM 1057 CD ARG A 69 8.587 2.803 1.641 1.00 0.00 C ATOM 1058 NE ARG A 69 9.361 3.981 1.260 1.00 0.00 N ATOM 1059 CZ ARG A 69 9.921 4.808 2.137 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.794 4.585 3.437 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.611 5.859 1.712 1.00 0.00 N ATOM 0 H ARG A 69 7.349 1.438 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 69 6.277 0.463 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.550 3.185 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.430 2.868 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.085 0.887 0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.221 1.808 -0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.639 3.118 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.124 2.250 2.411 1.00 0.00 H new ATOM 0 HE ARG A 69 9.478 4.180 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.266 3.777 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.225 5.221 4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.712 6.032 0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.041 6.493 2.385 1.00 0.00 H new ATOM 1075 N LEU A 70 4.119 1.733 -1.040 1.00 0.00 N ATOM 1076 CA LEU A 70 2.806 2.198 -1.473 1.00 0.00 C ATOM 1077 C LEU A 70 2.258 3.251 -0.514 1.00 0.00 C ATOM 1078 O LEU A 70 1.786 2.927 0.576 1.00 0.00 O ATOM 1079 CB LEU A 70 1.832 1.023 -1.569 1.00 0.00 C ATOM 1080 CG LEU A 70 0.349 1.366 -1.421 1.00 0.00 C ATOM 1081 CD1 LEU A 70 -0.081 2.351 -2.497 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.499 0.104 -1.482 1.00 0.00 C ATOM 0 H LEU A 70 4.134 1.321 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 70 2.916 2.652 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.977 0.535 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.095 0.296 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 70 0.200 1.834 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.139 2.583 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.504 3.266 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.083 1.910 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.551 0.367 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.345 -0.392 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.209 -0.568 -0.675 1.00 0.00 H new ATOM 1094 N VAL A 71 2.322 4.512 -0.928 1.00 0.00 N ATOM 1095 CA VAL A 71 1.830 5.612 -0.107 1.00 0.00 C ATOM 1096 C VAL A 71 0.456 6.077 -0.578 1.00 0.00 C ATOM 1097 O VAL A 71 0.210 6.206 -1.778 1.00 0.00 O ATOM 1098 CB VAL A 71 2.800 6.808 -0.130 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.186 8.008 0.575 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.129 6.428 0.506 1.00 0.00 C ATOM 0 H VAL A 71 2.710 4.798 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 71 1.754 5.236 0.913 1.00 0.00 H new ATOM 0 HB VAL A 71 2.985 7.083 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.886 8.843 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.262 8.293 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.969 7.749 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.802 7.285 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.964 6.126 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.574 5.601 -0.047 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.436 6.328 0.374 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.786 6.780 0.057 1.00 0.00 C ATOM 1112 C LEU A 72 -2.068 8.138 0.691 1.00 0.00 C ATOM 1113 O LEU A 72 -2.219 8.265 1.906 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.814 5.755 0.540 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.792 4.398 -0.164 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.573 3.595 0.262 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.070 3.626 0.127 1.00 0.00 C ATOM 0 H LEU A 72 -0.249 6.226 1.371 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.864 6.882 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.660 5.591 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.809 6.186 0.424 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.731 4.569 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.575 2.632 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.667 4.143 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.602 3.433 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.037 2.663 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.162 3.466 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.928 4.196 -0.229 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.144 9.180 -0.151 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.412 10.547 0.304 1.00 0.00 C ATOM 1131 C PRO A 73 -3.841 10.722 0.805 1.00 0.00 C ATOM 1132 O PRO A 73 -4.173 11.734 1.421 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.178 11.391 -0.952 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.423 10.457 -2.087 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.975 9.102 -1.612 1.00 0.00 C ATOM 0 HA PRO A 73 -1.780 10.827 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.856 12.244 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.163 11.789 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.478 10.445 -2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.866 10.764 -2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.579 8.305 -2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.939 8.902 -1.887 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.683 9.730 0.536 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.076 9.773 0.962 1.00 0.00 C ATOM 1145 C ALA A 74 -6.707 8.386 0.920 1.00 0.00 C ATOM 1146 O ALA A 74 -6.981 7.850 -0.155 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.864 10.741 0.092 1.00 0.00 C ATOM 0 H ALA A 74 -4.424 8.886 0.025 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.104 10.124 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.903 10.763 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.435 11.739 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.820 10.415 -0.947 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.935 7.808 2.095 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.534 6.482 2.191 1.00 0.00 C ATOM 1155 C VAL A 75 -9.000 6.570 2.601 1.00 0.00 C ATOM 1156 O VAL A 75 -9.482 7.632 2.992 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.782 5.598 3.204 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.283 5.840 3.114 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.288 5.857 4.615 1.00 0.00 C ATOM 0 H VAL A 75 -6.714 8.237 2.994 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.462 6.030 1.202 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.973 4.553 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.768 5.207 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.935 5.600 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.070 6.887 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.746 5.224 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.129 6.904 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.352 5.628 4.667 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.703 5.446 2.508 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.115 5.396 2.869 1.00 0.00 C ATOM 1171 C GLN A 76 -11.448 4.092 3.586 1.00 0.00 C ATOM 1172 O GLN A 76 -10.860 3.048 3.302 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.987 5.544 1.621 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.653 6.769 0.786 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.059 8.064 1.462 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.255 8.109 2.677 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.188 9.127 0.676 1.00 0.00 N ATOM 0 H GLN A 76 -9.318 4.558 2.186 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.321 6.224 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.877 4.653 1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.033 5.595 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.581 6.788 0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.155 6.694 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.016 9.044 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.459 10.026 1.074 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.394 4.160 4.516 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.806 2.984 5.275 1.00 0.00 C ATOM 1188 C LEU A 77 -12.982 1.778 4.358 1.00 0.00 C ATOM 1189 O LEU A 77 -12.715 0.643 4.751 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.111 3.265 6.021 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.095 4.462 6.973 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.483 4.708 7.545 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.087 4.242 8.091 1.00 0.00 C ATOM 0 H LEU A 77 -12.890 5.016 4.763 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.023 2.757 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.900 3.421 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.379 2.376 6.592 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.795 5.345 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.452 5.563 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.180 4.912 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.812 3.825 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.090 5.104 8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.356 3.347 8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.092 4.117 7.664 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.430 2.033 3.132 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.639 0.967 2.159 1.00 0.00 C ATOM 1207 C GLU A 78 -12.311 0.346 1.738 1.00 0.00 C ATOM 1208 O GLU A 78 -12.220 -0.862 1.520 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.375 1.506 0.930 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.756 2.059 1.242 1.00 0.00 C ATOM 1211 CD GLU A 78 -15.732 3.541 1.561 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -14.645 4.061 1.890 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -16.801 4.182 1.482 1.00 0.00 O ATOM 0 H GLU A 78 -13.655 2.967 2.790 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.248 0.195 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.773 2.291 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.470 0.707 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.414 1.885 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.178 1.516 2.087 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.284 1.181 1.626 1.00 0.00 N ATOM 1221 CA ASP A 79 -9.959 0.715 1.232 1.00 0.00 C ATOM 1222 C ASP A 79 -9.475 -0.395 2.160 1.00 0.00 C ATOM 1223 O ASP A 79 -8.723 -1.278 1.748 1.00 0.00 O ATOM 1224 CB ASP A 79 -8.963 1.876 1.242 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.179 2.834 0.087 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.011 3.753 0.227 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.515 2.664 -0.958 1.00 0.00 O ATOM 0 H ASP A 79 -11.343 2.184 1.802 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.028 0.314 0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.052 2.419 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.948 1.481 1.197 1.00 0.00 H new ATOM 1232 N SER A 80 -9.911 -0.343 3.414 1.00 0.00 N ATOM 1233 CA SER A 80 -9.518 -1.341 4.402 1.00 0.00 C ATOM 1234 C SER A 80 -9.848 -2.748 3.913 1.00 0.00 C ATOM 1235 O SER A 80 -11.003 -3.065 3.633 1.00 0.00 O ATOM 1236 CB SER A 80 -10.221 -1.074 5.735 1.00 0.00 C ATOM 1237 OG SER A 80 -11.571 -1.502 5.694 1.00 0.00 O ATOM 0 H SER A 80 -10.537 0.380 3.770 1.00 0.00 H new ATOM 0 HA SER A 80 -8.440 -1.269 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.696 -1.593 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.181 -0.009 5.964 1.00 0.00 H new ATOM 0 HG SER A 80 -12.132 -0.782 5.336 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.823 -3.589 3.813 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.023 -4.952 3.358 1.00 0.00 C ATOM 1245 C GLY A 81 -7.742 -5.762 3.371 1.00 0.00 C ATOM 1246 O GLY A 81 -7.092 -5.890 4.408 1.00 0.00 O ATOM 0 H GLY A 81 -7.857 -3.350 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.763 -5.439 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.430 -4.938 2.347 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.379 -6.311 2.216 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.168 -7.115 2.100 1.00 0.00 C ATOM 1252 C GLU A 82 -5.341 -6.682 0.893 1.00 0.00 C ATOM 1253 O GLU A 82 -5.782 -6.800 -0.250 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.523 -8.599 1.983 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.445 -9.526 2.518 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.814 -10.991 2.378 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -5.727 -11.518 1.249 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -6.188 -11.609 3.396 1.00 0.00 O ATOM 0 H GLU A 82 -7.906 -6.214 1.348 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.573 -6.961 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.452 -8.786 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.709 -8.838 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.512 -9.338 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.265 -9.299 3.569 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.140 -6.179 1.156 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.252 -5.726 0.092 1.00 0.00 C ATOM 1267 C TYR A 83 -2.171 -6.763 -0.195 1.00 0.00 C ATOM 1268 O TYR A 83 -1.253 -6.959 0.604 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.606 -4.392 0.473 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.448 -3.188 0.116 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.708 -3.008 0.672 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -2.983 -2.231 -0.778 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.481 -1.910 0.349 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.749 -1.129 -1.106 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.997 -0.973 -0.540 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.764 0.123 -0.866 1.00 0.00 O ATOM 0 H TYR A 83 -3.759 -6.075 2.096 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.848 -5.590 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.413 -4.385 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.640 -4.310 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.090 -3.739 1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.007 -2.351 -1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.459 -1.786 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.373 -0.394 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.277 0.685 -1.504 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.285 -7.425 -1.341 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.318 -8.444 -1.736 1.00 0.00 C ATOM 1288 C LEU A 84 -0.410 -7.930 -2.849 1.00 0.00 C ATOM 1289 O LEU A 84 -0.879 -7.565 -3.927 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.041 -9.710 -2.197 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.221 -10.802 -1.141 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.914 -11.545 -0.914 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.731 -10.205 0.162 1.00 0.00 C ATOM 0 H LEU A 84 -3.037 -7.275 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.702 -8.680 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.025 -9.427 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.491 -10.133 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.961 -11.514 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.061 -12.318 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.591 -12.006 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.152 -10.845 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.853 -10.996 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.015 -9.471 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.691 -9.719 -0.012 1.00 0.00 H new ATOM 1305 N CYS A 85 0.890 -7.906 -2.580 1.00 0.00 N ATOM 1306 CA CYS A 85 1.865 -7.438 -3.559 1.00 0.00 C ATOM 1307 C CYS A 85 2.542 -8.613 -4.257 1.00 0.00 C ATOM 1308 O CYS A 85 3.368 -9.306 -3.664 1.00 0.00 O ATOM 1309 CB CYS A 85 2.916 -6.556 -2.883 1.00 0.00 C ATOM 1310 SG CYS A 85 4.081 -5.784 -4.030 1.00 0.00 S ATOM 0 H CYS A 85 1.294 -8.205 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 85 1.336 -6.850 -4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.409 -5.775 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.474 -7.159 -2.166 1.00 0.00 H new ATOM 0 HG CYS A 85 3.910 -4.495 -4.020 1.00 0.00 H new ATOM 1316 N GLU A 86 2.185 -8.831 -5.519 1.00 0.00 N ATOM 1317 CA GLU A 86 2.757 -9.925 -6.296 1.00 0.00 C ATOM 1318 C GLU A 86 3.866 -9.419 -7.213 1.00 0.00 C ATOM 1319 O GLU A 86 3.755 -8.345 -7.804 1.00 0.00 O ATOM 1320 CB GLU A 86 1.670 -10.614 -7.124 1.00 0.00 C ATOM 1321 CG GLU A 86 0.372 -10.832 -6.365 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.382 -12.059 -6.839 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.242 -13.134 -6.949 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.598 -11.943 -7.099 1.00 0.00 O ATOM 0 H GLU A 86 1.503 -8.265 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 86 3.186 -10.646 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.466 -10.014 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.045 -11.577 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.590 -10.932 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.263 -9.953 -6.479 1.00 0.00 H new ATOM 1331 N ILE A 87 4.936 -10.199 -7.324 1.00 0.00 N ATOM 1332 CA ILE A 87 6.065 -9.831 -8.169 1.00 0.00 C ATOM 1333 C ILE A 87 6.181 -10.764 -9.369 1.00 0.00 C ATOM 1334 O ILE A 87 6.139 -10.323 -10.518 1.00 0.00 O ATOM 1335 CB ILE A 87 7.389 -9.858 -7.382 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.554 -10.198 -8.313 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.306 -10.859 -6.240 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.862 -9.558 -7.903 1.00 0.00 C ATOM 0 H ILE A 87 5.045 -11.090 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 87 5.880 -8.815 -8.518 1.00 0.00 H new ATOM 0 HB ILE A 87 7.564 -8.869 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.682 -11.280 -8.342 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.305 -9.879 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.249 -10.866 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.498 -10.575 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.111 -11.854 -6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.643 -9.843 -8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.752 -8.474 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.135 -9.896 -6.903 1.00 0.00 H new ATOM 1350 N ASP A 88 6.326 -12.056 -9.095 1.00 0.00 N ATOM 1351 CA ASP A 88 6.445 -13.053 -10.153 1.00 0.00 C ATOM 1352 C ASP A 88 5.567 -14.265 -9.859 1.00 0.00 C ATOM 1353 O ASP A 88 4.531 -14.462 -10.495 1.00 0.00 O ATOM 1354 CB ASP A 88 7.903 -13.490 -10.309 1.00 0.00 C ATOM 1355 CG ASP A 88 8.242 -13.877 -11.735 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.995 -13.059 -12.645 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.753 -14.997 -11.941 1.00 0.00 O ATOM 0 H ASP A 88 6.364 -12.437 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 88 6.107 -12.600 -11.085 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.558 -12.679 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.098 -14.336 -9.650 1.00 0.00 H new ATOM 1362 N ASP A 89 5.987 -15.073 -8.892 1.00 0.00 N ATOM 1363 CA ASP A 89 5.238 -16.266 -8.513 1.00 0.00 C ATOM 1364 C ASP A 89 4.802 -16.193 -7.053 1.00 0.00 C ATOM 1365 O ASP A 89 3.981 -16.991 -6.601 1.00 0.00 O ATOM 1366 CB ASP A 89 6.083 -17.519 -8.744 1.00 0.00 C ATOM 1367 CG ASP A 89 6.058 -17.976 -10.190 1.00 0.00 C ATOM 1368 OD1 ASP A 89 6.056 -17.108 -11.087 1.00 0.00 O ATOM 1369 OD2 ASP A 89 6.042 -19.203 -10.424 1.00 0.00 O ATOM 0 H ASP A 89 6.842 -14.924 -8.356 1.00 0.00 H new ATOM 0 HA ASP A 89 4.346 -16.319 -9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.113 -17.319 -8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.717 -18.323 -8.105 1.00 0.00 H new ATOM 1374 N GLU A 90 5.358 -15.233 -6.322 1.00 0.00 N ATOM 1375 CA GLU A 90 5.028 -15.058 -4.913 1.00 0.00 C ATOM 1376 C GLU A 90 4.342 -13.715 -4.677 1.00 0.00 C ATOM 1377 O GLU A 90 4.325 -12.853 -5.555 1.00 0.00 O ATOM 1378 CB GLU A 90 6.290 -15.157 -4.054 1.00 0.00 C ATOM 1379 CG GLU A 90 7.532 -14.601 -4.731 1.00 0.00 C ATOM 1380 CD GLU A 90 8.810 -14.988 -4.013 1.00 0.00 C ATOM 1381 OE1 GLU A 90 9.084 -14.413 -2.939 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.537 -15.865 -4.525 1.00 0.00 O ATOM 0 H GLU A 90 6.039 -14.564 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 90 4.340 -15.853 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.126 -14.622 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.463 -16.202 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.573 -14.962 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.460 -13.514 -4.777 1.00 0.00 H new ATOM 1389 N SER A 91 3.779 -13.546 -3.485 1.00 0.00 N ATOM 1390 CA SER A 91 3.088 -12.311 -3.134 1.00 0.00 C ATOM 1391 C SER A 91 3.301 -11.969 -1.662 1.00 0.00 C ATOM 1392 O SER A 91 3.504 -12.853 -0.831 1.00 0.00 O ATOM 1393 CB SER A 91 1.592 -12.437 -3.429 1.00 0.00 C ATOM 1394 OG SER A 91 1.032 -13.550 -2.755 1.00 0.00 O ATOM 0 H SER A 91 3.788 -14.249 -2.746 1.00 0.00 H new ATOM 0 HA SER A 91 3.504 -11.506 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.079 -11.526 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.437 -12.543 -4.503 1.00 0.00 H new ATOM 0 HG SER A 91 0.120 -13.704 -3.079 1.00 0.00 H new ATOM 1400 N ALA A 92 3.254 -10.678 -1.349 1.00 0.00 N ATOM 1401 CA ALA A 92 3.440 -10.217 0.022 1.00 0.00 C ATOM 1402 C ALA A 92 2.107 -9.837 0.658 1.00 0.00 C ATOM 1403 O ALA A 92 1.268 -9.194 0.027 1.00 0.00 O ATOM 1404 CB ALA A 92 4.399 -9.037 0.056 1.00 0.00 C ATOM 0 H ALA A 92 3.089 -9.933 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 92 3.869 -11.036 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.529 -8.703 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.363 -9.340 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.993 -8.221 -0.542 1.00 0.00 H new ATOM 1410 N SER A 93 1.919 -10.239 1.911 1.00 0.00 N ATOM 1411 CA SER A 93 0.686 -9.944 2.631 1.00 0.00 C ATOM 1412 C SER A 93 0.793 -8.613 3.369 1.00 0.00 C ATOM 1413 O SER A 93 1.689 -8.415 4.190 1.00 0.00 O ATOM 1414 CB SER A 93 0.368 -11.065 3.622 1.00 0.00 C ATOM 1415 OG SER A 93 -0.642 -10.670 4.534 1.00 0.00 O ATOM 0 H SER A 93 2.605 -10.770 2.448 1.00 0.00 H new ATOM 0 HA SER A 93 -0.122 -9.872 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.045 -11.953 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.270 -11.337 4.170 1.00 0.00 H new ATOM 0 HG SER A 93 -1.254 -11.420 4.689 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.127 -7.702 3.070 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.137 -6.388 3.704 1.00 0.00 C ATOM 1423 C PHE A 94 -1.542 -6.021 4.172 1.00 0.00 C ATOM 1424 O PHE A 94 -2.378 -5.583 3.382 1.00 0.00 O ATOM 1425 CB PHE A 94 0.383 -5.327 2.733 1.00 0.00 C ATOM 1426 CG PHE A 94 1.875 -5.355 2.556 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.709 -4.803 3.515 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.442 -5.932 1.431 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.082 -4.828 3.356 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.814 -5.959 1.267 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.635 -5.406 2.230 1.00 0.00 C ATOM 0 H PHE A 94 -0.875 -7.849 2.393 1.00 0.00 H new ATOM 0 HA PHE A 94 0.518 -6.426 4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.093 -5.470 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.086 -4.341 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.282 -4.348 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.805 -6.365 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.722 -4.396 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.244 -6.412 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.707 -5.425 2.103 1.00 0.00 H new ATOM 1441 N THR A 95 -1.795 -6.203 5.465 1.00 0.00 N ATOM 1442 CA THR A 95 -3.097 -5.893 6.040 1.00 0.00 C ATOM 1443 C THR A 95 -3.219 -4.407 6.356 1.00 0.00 C ATOM 1444 O THR A 95 -2.387 -3.843 7.067 1.00 0.00 O ATOM 1445 CB THR A 95 -3.351 -6.702 7.325 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.334 -8.104 7.033 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.688 -6.326 7.947 1.00 0.00 C ATOM 0 H THR A 95 -1.114 -6.564 6.133 1.00 0.00 H new ATOM 0 HA THR A 95 -3.844 -6.166 5.295 1.00 0.00 H new ATOM 0 HB THR A 95 -2.559 -6.469 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.495 -8.611 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.845 -6.911 8.853 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.688 -5.265 8.195 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.490 -6.533 7.238 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.262 -3.776 5.825 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.493 -2.355 6.053 1.00 0.00 C ATOM 1457 C VAL A 96 -5.893 -2.108 6.606 1.00 0.00 C ATOM 1458 O VAL A 96 -6.867 -2.045 5.855 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.315 -1.542 4.757 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.611 -0.071 5.003 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.910 -1.726 4.203 1.00 0.00 C ATOM 0 H VAL A 96 -4.960 -4.227 5.234 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.753 -2.027 6.783 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.025 -1.911 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.480 0.487 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.638 0.040 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.928 0.316 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.801 -1.145 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.181 -1.385 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.740 -2.781 3.986 1.00 0.00 H new ATOM 1471 N THR A 97 -5.986 -1.968 7.924 1.00 0.00 N ATOM 1472 CA THR A 97 -7.266 -1.728 8.579 1.00 0.00 C ATOM 1473 C THR A 97 -7.473 -0.243 8.853 1.00 0.00 C ATOM 1474 O THR A 97 -6.749 0.360 9.645 1.00 0.00 O ATOM 1475 CB THR A 97 -7.372 -2.503 9.906 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.187 -3.903 9.672 1.00 0.00 O ATOM 1477 CG2 THR A 97 -8.723 -2.268 10.563 1.00 0.00 C ATOM 0 H THR A 97 -5.190 -2.017 8.560 1.00 0.00 H new ATOM 0 HA THR A 97 -8.041 -2.081 7.898 1.00 0.00 H new ATOM 0 HB THR A 97 -6.592 -2.141 10.576 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.254 -4.388 10.521 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.775 -2.825 11.498 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.848 -1.205 10.767 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.516 -2.605 9.895 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.468 0.343 8.193 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.772 1.758 8.367 1.00 0.00 C ATOM 1487 C VAL A 98 -9.959 1.954 9.304 1.00 0.00 C ATOM 1488 O VAL A 98 -10.877 1.133 9.342 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.079 2.436 7.018 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.280 3.932 7.206 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.967 2.160 6.018 1.00 0.00 C ATOM 0 H VAL A 98 -9.077 -0.141 7.533 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.887 2.221 8.805 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.004 2.017 6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.496 4.394 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.114 4.104 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.374 4.371 7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.200 2.646 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.025 2.550 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.877 1.085 5.861 1.00 0.00 H new ATOM 1501 N THR A 99 -9.935 3.047 10.059 1.00 0.00 N ATOM 1502 CA THR A 99 -11.009 3.352 10.997 1.00 0.00 C ATOM 1503 C THR A 99 -11.335 4.841 10.995 1.00 0.00 C ATOM 1504 O THR A 99 -10.694 5.624 10.295 1.00 0.00 O ATOM 1505 CB THR A 99 -10.642 2.920 12.430 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.323 3.373 12.755 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.715 1.408 12.575 1.00 0.00 C ATOM 0 H THR A 99 -9.184 3.736 10.040 1.00 0.00 H new ATOM 0 HA THR A 99 -11.884 2.791 10.669 1.00 0.00 H new ATOM 0 HB THR A 99 -11.360 3.369 13.117 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.098 3.096 13.668 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.452 1.127 13.595 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.728 1.070 12.355 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.018 0.942 11.879 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.335 5.224 11.782 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.746 6.620 11.870 1.00 0.00 C ATOM 1517 C GLU A 100 -11.819 7.403 12.796 1.00 0.00 C ATOM 1518 O GLU A 100 -11.440 6.940 13.872 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.188 6.720 12.370 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.195 6.024 11.469 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.471 5.652 12.198 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.402 5.388 13.417 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.539 5.626 11.551 1.00 0.00 O ATOM 0 H GLU A 100 -12.875 4.587 12.368 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.685 7.053 10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.248 6.288 13.369 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.460 7.772 12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.437 6.676 10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.743 5.124 11.053 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.445 8.618 12.369 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.559 9.491 13.144 1.00 0.00 C ATOM 1532 C PRO A 101 -11.232 10.032 14.401 1.00 0.00 C ATOM 1533 O PRO A 101 -12.457 10.049 14.519 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.245 10.631 12.172 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.403 10.660 11.236 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.859 9.233 11.097 1.00 0.00 C ATOM 0 HA PRO A 101 -9.676 8.962 13.501 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.136 11.580 12.697 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.310 10.452 11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.203 11.289 11.625 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.114 11.073 10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.937 9.168 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.392 8.743 10.243 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.414 10.486 15.363 1.00 0.00 N ATOM 1545 CA PRO A 102 -10.910 11.037 16.628 1.00 0.00 C ATOM 1546 C PRO A 102 -11.599 12.384 16.442 1.00 0.00 C ATOM 1547 O PRO A 102 -11.715 12.885 15.323 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.639 11.198 17.466 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.542 11.339 16.468 1.00 0.00 C ATOM 1550 CD PRO A 102 -8.944 10.496 15.289 1.00 0.00 C ATOM 0 HA PRO A 102 -11.661 10.394 17.087 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.700 12.073 18.113 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.478 10.334 18.111 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.411 12.381 16.176 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.592 11.003 16.882 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.592 10.924 14.350 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.531 9.489 15.355 1.00 0.00 H new