USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 454 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 125 TYR OH : rot -115:sc= 1.06 USER MOD Set 1.2: A 128 TYR OH : rot 130:sc= -1.48! USER MOD Set 2.1: A 107 SER OG : rot 180:sc= 1.11 USER MOD Set 2.2: A 122 TYR OH : rot -3:sc= 1.23 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 162:sc= 0.936 (180deg=0.0632) USER MOD Set 3.2: A 118 TYR OH : rot 130:sc= 0.816 USER MOD Set 4.1: A 99 LYS NZ :NH3+ 178:sc= 0.591 (180deg=-0.264) USER MOD Set 4.2: A 101 TYR OH : rot 180:sc= 0.508 USER MOD Set 5.1: A 94 GLN : amide:sc= -0.412 X(o=1.1,f=1.1) USER MOD Set 5.2: A 131 TYR OH : rot 78:sc= 1.49 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0.349 (180deg=0.288) USER MOD Single : A 77 LYS NZ :NH3+ 133:sc= 1.28 (180deg=0.618) USER MOD Single : A 78 MET CE :methyl -165:sc= -0.0487 (180deg=-0.379) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0764) USER MOD Single : A 83 MET CE :methyl -164:sc= -0.334 (180deg=-1.02) USER MOD Single : A 87 SER OG : rot 94:sc= 1.24 USER MOD Single : A 88 LYS NZ :NH3+ 179:sc= 1.46 (180deg=1.43) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 95 LYS NZ :NH3+ 139:sc= 0.531 (180deg=-1.61!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0.787 (180deg=0.679) USER MOD Single : A 123 ASN : amide:sc=-0.00957 X(o=-0.0096,f=0) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0176 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.595 -7.128 -0.705 1.00 0.00 N ATOM 152 CA GLU A 71 8.049 -6.227 0.341 1.00 0.00 C ATOM 153 C GLU A 71 6.519 -6.225 0.434 1.00 0.00 C ATOM 154 O GLU A 71 5.960 -5.523 1.270 1.00 0.00 O ATOM 155 CB GLU A 71 8.573 -4.799 0.181 1.00 0.00 C ATOM 156 CG GLU A 71 10.070 -4.650 0.366 1.00 0.00 C ATOM 157 CD GLU A 71 10.528 -3.277 -0.028 1.00 0.00 C ATOM 158 OE1 GLU A 71 10.361 -2.314 0.759 1.00 0.00 O ATOM 159 OE2 GLU A 71 11.003 -3.104 -1.173 1.00 0.00 O ATOM 0 HA GLU A 71 8.411 -6.640 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.305 -4.437 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.066 -4.157 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.332 -4.839 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.590 -5.397 -0.234 1.00 0.00 H new ATOM 166 N LYS A 72 5.853 -7.043 -0.378 1.00 0.00 N ATOM 167 CA LYS A 72 4.374 -7.106 -0.402 1.00 0.00 C ATOM 168 C LYS A 72 3.760 -7.348 0.992 1.00 0.00 C ATOM 169 O LYS A 72 2.766 -6.734 1.368 1.00 0.00 O ATOM 170 CB LYS A 72 3.875 -8.164 -1.403 1.00 0.00 C ATOM 171 CG LYS A 72 4.335 -9.598 -1.163 1.00 0.00 C ATOM 172 CD LYS A 72 3.774 -10.548 -2.229 1.00 0.00 C ATOM 173 CE LYS A 72 2.240 -10.619 -2.202 1.00 0.00 C ATOM 174 NZ LYS A 72 1.702 -11.455 -3.294 1.00 0.00 N ATOM 0 H LYS A 72 6.307 -7.678 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 72 4.035 -6.124 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.785 -8.150 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.194 -7.866 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.424 -9.639 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.012 -9.925 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.102 -10.218 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.184 -11.546 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.913 -11.022 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.830 -9.612 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.666 -11.502 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.962 -11.038 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.098 -12.414 -3.225 1.00 0.00 H new ATOM 188 N ALA A 73 4.396 -8.204 1.762 1.00 0.00 N ATOM 189 CA ALA A 73 3.932 -8.544 3.096 1.00 0.00 C ATOM 190 C ALA A 73 4.221 -7.428 4.112 1.00 0.00 C ATOM 191 O ALA A 73 3.643 -7.411 5.212 1.00 0.00 O ATOM 192 CB ALA A 73 4.539 -9.859 3.546 1.00 0.00 C ATOM 0 H ALA A 73 5.251 -8.686 1.484 1.00 0.00 H new ATOM 0 HA ALA A 73 2.849 -8.655 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.182 -10.101 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.246 -10.650 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.625 -9.773 3.559 1.00 0.00 H new ATOM 198 N ALA A 74 5.144 -6.542 3.773 1.00 0.00 N ATOM 199 CA ALA A 74 5.517 -5.426 4.636 1.00 0.00 C ATOM 200 C ALA A 74 4.571 -4.262 4.417 1.00 0.00 C ATOM 201 O ALA A 74 4.227 -3.553 5.360 1.00 0.00 O ATOM 202 CB ALA A 74 6.958 -5.003 4.384 1.00 0.00 C ATOM 0 H ALA A 74 5.657 -6.574 2.892 1.00 0.00 H new ATOM 0 HA ALA A 74 5.440 -5.749 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.212 -4.170 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.624 -5.841 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.070 -4.695 3.345 1.00 0.00 H new ATOM 208 N VAL A 75 4.111 -4.110 3.171 1.00 0.00 N ATOM 209 CA VAL A 75 3.170 -3.046 2.781 1.00 0.00 C ATOM 210 C VAL A 75 1.926 -3.070 3.678 1.00 0.00 C ATOM 211 O VAL A 75 1.430 -2.025 4.107 1.00 0.00 O ATOM 212 CB VAL A 75 2.733 -3.190 1.283 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.746 -2.099 0.877 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.941 -3.165 0.361 1.00 0.00 C ATOM 0 H VAL A 75 4.379 -4.721 2.400 1.00 0.00 H new ATOM 0 HA VAL A 75 3.687 -2.094 2.903 1.00 0.00 H new ATOM 0 HB VAL A 75 2.233 -4.154 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.466 -2.232 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.855 -2.163 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.211 -1.122 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.612 -3.267 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.471 -2.220 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.608 -3.990 0.612 1.00 0.00 H new ATOM 224 N LYS A 76 1.490 -4.275 4.022 1.00 0.00 N ATOM 225 CA LYS A 76 0.294 -4.470 4.832 1.00 0.00 C ATOM 226 C LYS A 76 0.439 -3.932 6.266 1.00 0.00 C ATOM 227 O LYS A 76 -0.554 -3.711 6.952 1.00 0.00 O ATOM 228 CB LYS A 76 -0.154 -5.936 4.826 1.00 0.00 C ATOM 229 CG LYS A 76 -0.331 -6.482 3.418 1.00 0.00 C ATOM 230 CD LYS A 76 -1.330 -7.626 3.344 1.00 0.00 C ATOM 231 CE LYS A 76 -0.955 -8.845 4.145 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.064 -9.833 4.104 1.00 0.00 N ATOM 0 H LYS A 76 1.953 -5.142 3.749 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.490 -3.875 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.582 -6.540 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.094 -6.028 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.660 -5.677 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.634 -6.825 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.299 -7.266 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.451 -7.917 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.044 -9.290 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.744 -8.563 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.706 -10.769 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.815 -9.540 4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.449 -9.883 3.139 1.00 0.00 H new ATOM 246 N LYS A 77 1.666 -3.712 6.709 1.00 0.00 N ATOM 247 CA LYS A 77 1.906 -3.144 8.034 1.00 0.00 C ATOM 248 C LYS A 77 1.561 -1.674 8.027 1.00 0.00 C ATOM 249 O LYS A 77 0.915 -1.165 8.958 1.00 0.00 O ATOM 250 CB LYS A 77 3.365 -3.344 8.499 1.00 0.00 C ATOM 251 CG LYS A 77 3.706 -4.710 9.101 1.00 0.00 C ATOM 252 CD LYS A 77 3.492 -5.860 8.136 1.00 0.00 C ATOM 253 CE LYS A 77 3.990 -7.171 8.722 1.00 0.00 C ATOM 254 NZ LYS A 77 3.743 -8.309 7.808 1.00 0.00 N ATOM 0 H LYS A 77 2.511 -3.916 6.176 1.00 0.00 H new ATOM 0 HA LYS A 77 1.266 -3.672 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.022 -3.173 7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.596 -2.577 9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.746 -4.707 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.095 -4.871 9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.432 -5.945 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.014 -5.655 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.058 -7.095 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.494 -7.355 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.605 -8.885 7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.969 -8.893 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.481 -7.949 6.868 1.00 0.00 H new ATOM 268 N MET A 78 1.948 -1.015 6.958 1.00 0.00 N ATOM 269 CA MET A 78 1.692 0.398 6.797 1.00 0.00 C ATOM 270 C MET A 78 0.252 0.615 6.393 1.00 0.00 C ATOM 271 O MET A 78 -0.375 1.591 6.801 1.00 0.00 O ATOM 272 CB MET A 78 2.649 1.022 5.776 1.00 0.00 C ATOM 273 CG MET A 78 4.107 1.026 6.216 1.00 0.00 C ATOM 274 SD MET A 78 4.388 1.989 7.721 1.00 0.00 S ATOM 275 CE MET A 78 3.953 3.645 7.178 1.00 0.00 C ATOM 0 H MET A 78 2.448 -1.442 6.178 1.00 0.00 H new ATOM 0 HA MET A 78 1.867 0.894 7.752 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.566 0.478 4.835 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.336 2.048 5.580 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.434 -0.001 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.722 1.430 5.412 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.324 4.373 7.899 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.402 3.838 6.204 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.869 3.730 7.101 1.00 0.00 H new ATOM 285 N ALA A 79 -0.281 -0.330 5.620 1.00 0.00 N ATOM 286 CA ALA A 79 -1.671 -0.302 5.183 1.00 0.00 C ATOM 287 C ALA A 79 -2.607 -0.316 6.387 1.00 0.00 C ATOM 288 O ALA A 79 -3.627 0.365 6.403 1.00 0.00 O ATOM 289 CB ALA A 79 -1.956 -1.478 4.262 1.00 0.00 C ATOM 0 H ALA A 79 0.242 -1.137 5.280 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.846 0.619 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.998 -1.446 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.307 -1.422 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.768 -2.411 4.794 1.00 0.00 H new ATOM 295 N LYS A 80 -2.217 -1.067 7.402 1.00 0.00 N ATOM 296 CA LYS A 80 -2.945 -1.146 8.663 1.00 0.00 C ATOM 297 C LYS A 80 -3.027 0.241 9.314 1.00 0.00 C ATOM 298 O LYS A 80 -4.047 0.622 9.874 1.00 0.00 O ATOM 299 CB LYS A 80 -2.240 -2.195 9.580 1.00 0.00 C ATOM 300 CG LYS A 80 -2.767 -2.368 11.029 1.00 0.00 C ATOM 301 CD LYS A 80 -2.318 -1.245 11.996 1.00 0.00 C ATOM 302 CE LYS A 80 -0.795 -1.172 12.146 1.00 0.00 C ATOM 303 NZ LYS A 80 -0.216 -2.442 12.661 1.00 0.00 N ATOM 0 H LYS A 80 -1.378 -1.646 7.377 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.971 -1.473 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.300 -3.164 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.184 -1.931 9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.856 -2.402 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.425 -3.327 11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.690 -0.287 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.768 -1.411 12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.348 -0.937 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.538 -0.357 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.792 -2.303 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.717 -2.726 13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.318 -3.187 11.942 1.00 0.00 H new ATOM 317 N ALA A 81 -1.956 0.995 9.213 1.00 0.00 N ATOM 318 CA ALA A 81 -1.909 2.317 9.807 1.00 0.00 C ATOM 319 C ALA A 81 -2.777 3.303 9.021 1.00 0.00 C ATOM 320 O ALA A 81 -3.332 4.256 9.589 1.00 0.00 O ATOM 321 CB ALA A 81 -0.473 2.801 9.908 1.00 0.00 C ATOM 0 H ALA A 81 -1.104 0.718 8.725 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.317 2.257 10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.455 3.795 10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.100 2.112 10.529 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.033 2.844 8.912 1.00 0.00 H new ATOM 327 N ILE A 82 -2.885 3.073 7.725 1.00 0.00 N ATOM 328 CA ILE A 82 -3.720 3.890 6.838 1.00 0.00 C ATOM 329 C ILE A 82 -5.193 3.578 7.117 1.00 0.00 C ATOM 330 O ILE A 82 -6.055 4.456 7.101 1.00 0.00 O ATOM 331 CB ILE A 82 -3.434 3.558 5.348 1.00 0.00 C ATOM 332 CG1 ILE A 82 -1.945 3.708 5.016 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.287 4.416 4.415 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.396 5.085 5.254 1.00 0.00 C ATOM 0 H ILE A 82 -2.398 2.314 7.248 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.495 4.940 7.024 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.707 2.515 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.378 2.995 5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.789 3.443 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.064 4.160 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.343 4.232 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.064 5.469 4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.338 5.105 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.935 5.803 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.517 5.348 6.305 1.00 0.00 H new ATOM 346 N MET A 83 -5.447 2.305 7.367 1.00 0.00 N ATOM 347 CA MET A 83 -6.771 1.781 7.688 1.00 0.00 C ATOM 348 C MET A 83 -7.337 2.433 8.942 1.00 0.00 C ATOM 349 O MET A 83 -8.542 2.611 9.065 1.00 0.00 O ATOM 350 CB MET A 83 -6.688 0.267 7.861 1.00 0.00 C ATOM 351 CG MET A 83 -7.949 -0.408 8.346 1.00 0.00 C ATOM 352 SD MET A 83 -7.678 -2.157 8.732 1.00 0.00 S ATOM 353 CE MET A 83 -6.744 -2.687 7.293 1.00 0.00 C ATOM 0 H MET A 83 -4.723 1.587 7.353 1.00 0.00 H new ATOM 0 HA MET A 83 -7.447 2.016 6.866 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.407 -0.174 6.905 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.885 0.044 8.564 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.317 0.106 9.234 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.723 -0.321 7.583 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.746 -3.776 7.239 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.201 -2.278 6.392 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.717 -2.330 7.374 1.00 0.00 H new ATOM 363 N ALA A 84 -6.471 2.774 9.854 1.00 0.00 N ATOM 364 CA ALA A 84 -6.884 3.468 11.044 1.00 0.00 C ATOM 365 C ALA A 84 -7.033 4.962 10.750 1.00 0.00 C ATOM 366 O ALA A 84 -8.112 5.540 10.898 1.00 0.00 O ATOM 367 CB ALA A 84 -5.878 3.236 12.165 1.00 0.00 C ATOM 0 H ALA A 84 -5.471 2.583 9.797 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.850 3.080 11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.202 3.767 13.060 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.812 2.169 12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.900 3.606 11.858 1.00 0.00 H new ATOM 373 N ASP A 85 -5.973 5.558 10.246 1.00 0.00 N ATOM 374 CA ASP A 85 -5.937 6.988 10.029 1.00 0.00 C ATOM 375 C ASP A 85 -5.645 7.345 8.577 1.00 0.00 C ATOM 376 O ASP A 85 -4.629 6.899 8.007 1.00 0.00 O ATOM 377 CB ASP A 85 -4.903 7.649 10.946 1.00 0.00 C ATOM 378 CG ASP A 85 -4.503 9.007 10.429 1.00 0.00 C ATOM 379 OD1 ASP A 85 -5.282 9.936 10.541 1.00 0.00 O ATOM 380 OD2 ASP A 85 -3.399 9.110 9.824 1.00 0.00 O ATOM 0 H ASP A 85 -5.119 5.069 9.977 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.930 7.368 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.314 7.746 11.951 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.022 7.012 11.023 1.00 0.00 H new ATOM 385 N PRO A 86 -6.513 8.151 7.959 1.00 0.00 N ATOM 386 CA PRO A 86 -6.326 8.611 6.601 1.00 0.00 C ATOM 387 C PRO A 86 -5.604 9.980 6.508 1.00 0.00 C ATOM 388 O PRO A 86 -5.324 10.449 5.410 1.00 0.00 O ATOM 389 CB PRO A 86 -7.765 8.736 6.107 1.00 0.00 C ATOM 390 CG PRO A 86 -8.551 9.153 7.317 1.00 0.00 C ATOM 391 CD PRO A 86 -7.785 8.666 8.530 1.00 0.00 C ATOM 0 HA PRO A 86 -5.694 7.937 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.847 9.474 5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.129 7.790 5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.670 10.236 7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.552 8.722 7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.607 9.472 9.242 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.330 7.886 9.062 1.00 0.00 H new ATOM 399 N SER A 87 -5.278 10.589 7.644 1.00 0.00 N ATOM 400 CA SER A 87 -4.680 11.919 7.648 1.00 0.00 C ATOM 401 C SER A 87 -3.236 11.875 7.142 1.00 0.00 C ATOM 402 O SER A 87 -2.839 12.673 6.301 1.00 0.00 O ATOM 403 CB SER A 87 -4.736 12.506 9.052 1.00 0.00 C ATOM 404 OG SER A 87 -6.020 12.291 9.619 1.00 0.00 O ATOM 0 H SER A 87 -5.417 10.184 8.570 1.00 0.00 H new ATOM 0 HA SER A 87 -5.250 12.557 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.972 12.046 9.678 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.519 13.574 9.017 1.00 0.00 H new ATOM 0 HG SER A 87 -6.011 11.464 10.144 1.00 0.00 H new ATOM 410 N LYS A 88 -2.454 10.915 7.621 1.00 0.00 N ATOM 411 CA LYS A 88 -1.057 10.812 7.172 1.00 0.00 C ATOM 412 C LYS A 88 -0.937 9.990 5.908 1.00 0.00 C ATOM 413 O LYS A 88 0.131 9.846 5.342 1.00 0.00 O ATOM 414 CB LYS A 88 -0.080 10.344 8.286 1.00 0.00 C ATOM 415 CG LYS A 88 -0.450 9.062 9.036 1.00 0.00 C ATOM 416 CD LYS A 88 -0.392 7.803 8.176 1.00 0.00 C ATOM 417 CE LYS A 88 -0.865 6.609 8.956 1.00 0.00 C ATOM 418 NZ LYS A 88 -2.277 6.763 9.346 1.00 0.00 N ATOM 0 H LYS A 88 -2.745 10.212 8.301 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.741 11.826 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.904 10.203 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.014 11.149 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.224 8.942 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.457 9.167 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.011 7.933 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.629 7.638 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.745 5.707 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.249 6.484 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.587 5.919 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.380 7.603 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.862 6.876 8.494 1.00 0.00 H new ATOM 432 N ALA A 89 -2.054 9.428 5.509 1.00 0.00 N ATOM 433 CA ALA A 89 -2.129 8.485 4.416 1.00 0.00 C ATOM 434 C ALA A 89 -1.540 8.994 3.101 1.00 0.00 C ATOM 435 O ALA A 89 -0.902 8.225 2.397 1.00 0.00 O ATOM 436 CB ALA A 89 -3.545 8.018 4.229 1.00 0.00 C ATOM 0 H ALA A 89 -2.957 9.618 5.945 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.499 7.643 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.588 7.308 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.892 7.534 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.184 8.873 4.006 1.00 0.00 H new ATOM 442 N ASP A 90 -1.732 10.278 2.798 1.00 0.00 N ATOM 443 CA ASP A 90 -1.220 10.881 1.536 1.00 0.00 C ATOM 444 C ASP A 90 0.275 10.636 1.353 1.00 0.00 C ATOM 445 O ASP A 90 0.719 10.133 0.298 1.00 0.00 O ATOM 446 CB ASP A 90 -1.508 12.377 1.481 1.00 0.00 C ATOM 447 CG ASP A 90 -0.881 13.022 0.261 1.00 0.00 C ATOM 448 OD1 ASP A 90 -1.346 12.744 -0.858 1.00 0.00 O ATOM 449 OD2 ASP A 90 0.071 13.792 0.423 1.00 0.00 O ATOM 0 H ASP A 90 -2.235 10.931 3.398 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.748 10.389 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.586 12.540 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.126 12.855 2.383 1.00 0.00 H new ATOM 454 N ASP A 91 1.026 10.921 2.407 1.00 0.00 N ATOM 455 CA ASP A 91 2.479 10.711 2.444 1.00 0.00 C ATOM 456 C ASP A 91 2.817 9.282 2.077 1.00 0.00 C ATOM 457 O ASP A 91 3.605 9.024 1.167 1.00 0.00 O ATOM 458 CB ASP A 91 3.017 11.015 3.850 1.00 0.00 C ATOM 459 CG ASP A 91 4.480 10.625 4.028 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.360 11.443 3.701 1.00 0.00 O ATOM 461 OD2 ASP A 91 4.740 9.495 4.512 1.00 0.00 O ATOM 0 H ASP A 91 0.647 11.308 3.271 1.00 0.00 H new ATOM 0 HA ASP A 91 2.942 11.383 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.904 12.080 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.413 10.484 4.586 1.00 0.00 H new ATOM 466 N VAL A 92 2.104 8.362 2.690 1.00 0.00 N ATOM 467 CA VAL A 92 2.374 6.959 2.533 1.00 0.00 C ATOM 468 C VAL A 92 1.968 6.483 1.129 1.00 0.00 C ATOM 469 O VAL A 92 2.588 5.595 0.578 1.00 0.00 O ATOM 470 CB VAL A 92 1.665 6.126 3.635 1.00 0.00 C ATOM 471 CG1 VAL A 92 2.066 4.661 3.568 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.971 6.696 5.018 1.00 0.00 C ATOM 0 H VAL A 92 1.322 8.571 3.310 1.00 0.00 H new ATOM 0 HA VAL A 92 3.447 6.805 2.645 1.00 0.00 H new ATOM 0 HB VAL A 92 0.591 6.189 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.552 4.107 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.791 4.253 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.143 4.572 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.466 6.099 5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.047 6.670 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.619 7.726 5.073 1.00 0.00 H new ATOM 482 N TYR A 93 0.955 7.116 0.533 1.00 0.00 N ATOM 483 CA TYR A 93 0.540 6.760 -0.832 1.00 0.00 C ATOM 484 C TYR A 93 1.642 7.111 -1.810 1.00 0.00 C ATOM 485 O TYR A 93 1.945 6.354 -2.732 1.00 0.00 O ATOM 486 CB TYR A 93 -0.735 7.492 -1.274 1.00 0.00 C ATOM 487 CG TYR A 93 -1.968 7.251 -0.444 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.136 6.089 0.299 1.00 0.00 C ATOM 489 CD2 TYR A 93 -2.972 8.202 -0.407 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.268 5.889 1.048 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.106 8.008 0.337 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.252 6.853 1.063 1.00 0.00 C ATOM 493 OH TYR A 93 -5.394 6.659 1.799 1.00 0.00 O ATOM 0 H TYR A 93 0.413 7.866 0.962 1.00 0.00 H new ATOM 0 HA TYR A 93 0.338 5.689 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.530 8.563 -1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.954 7.205 -2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.365 5.333 0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.860 9.114 -0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.387 4.982 1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.881 8.760 0.352 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.983 7.436 1.700 1.00 0.00 H new ATOM 503 N GLN A 94 2.262 8.243 -1.576 1.00 0.00 N ATOM 504 CA GLN A 94 3.322 8.728 -2.435 1.00 0.00 C ATOM 505 C GLN A 94 4.606 8.023 -2.145 1.00 0.00 C ATOM 506 O GLN A 94 5.416 7.800 -3.038 1.00 0.00 O ATOM 507 CB GLN A 94 3.470 10.246 -2.358 1.00 0.00 C ATOM 508 CG GLN A 94 2.756 10.989 -3.488 1.00 0.00 C ATOM 509 CD GLN A 94 1.257 10.702 -3.609 1.00 0.00 C ATOM 510 OE1 GLN A 94 0.712 10.735 -4.698 1.00 0.00 O ATOM 511 NE2 GLN A 94 0.600 10.415 -2.519 1.00 0.00 N ATOM 0 H GLN A 94 2.049 8.854 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 94 3.046 8.498 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.078 10.593 -1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.530 10.501 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.894 12.060 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.237 10.731 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.085 10.395 -1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.398 10.210 -2.564 1.00 0.00 H new ATOM 520 N LYS A 95 4.764 7.626 -0.908 1.00 0.00 N ATOM 521 CA LYS A 95 5.899 6.848 -0.504 1.00 0.00 C ATOM 522 C LYS A 95 5.740 5.432 -1.101 1.00 0.00 C ATOM 523 O LYS A 95 6.704 4.688 -1.292 1.00 0.00 O ATOM 524 CB LYS A 95 6.001 6.840 1.044 1.00 0.00 C ATOM 525 CG LYS A 95 7.406 6.605 1.589 1.00 0.00 C ATOM 526 CD LYS A 95 7.875 5.178 1.420 1.00 0.00 C ATOM 527 CE LYS A 95 9.386 5.104 1.449 1.00 0.00 C ATOM 528 NZ LYS A 95 9.977 5.815 0.285 1.00 0.00 N ATOM 0 H LYS A 95 4.108 7.835 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 95 6.831 7.275 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.634 7.793 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.340 6.066 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.103 7.273 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.427 6.866 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.460 4.557 2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.504 4.778 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.757 5.543 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.703 4.061 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.814 6.350 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.256 5.123 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.275 6.470 -0.115 1.00 0.00 H new ATOM 542 N TRP A 96 4.516 5.074 -1.428 1.00 0.00 N ATOM 543 CA TRP A 96 4.292 3.815 -2.098 1.00 0.00 C ATOM 544 C TRP A 96 4.542 3.970 -3.585 1.00 0.00 C ATOM 545 O TRP A 96 5.004 3.037 -4.255 1.00 0.00 O ATOM 546 CB TRP A 96 2.904 3.211 -1.805 1.00 0.00 C ATOM 547 CG TRP A 96 2.770 2.580 -0.433 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.774 2.063 0.341 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.555 2.356 0.298 1.00 0.00 C ATOM 550 NE1 TRP A 96 3.258 1.546 1.504 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.899 1.716 1.502 1.00 0.00 C ATOM 552 CE3 TRP A 96 0.216 2.642 0.056 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.946 1.356 2.452 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.727 2.286 0.997 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.358 1.651 2.181 1.00 0.00 C ATOM 0 H TRP A 96 3.678 5.625 -1.245 1.00 0.00 H new ATOM 0 HA TRP A 96 5.007 3.097 -1.695 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.152 3.994 -1.906 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.683 2.457 -2.561 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.821 2.062 0.075 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.799 1.107 2.249 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.082 3.136 -0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.229 0.861 3.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.769 2.503 0.813 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.120 1.387 2.899 1.00 0.00 H new ATOM 566 N ALA A 97 4.272 5.155 -4.089 1.00 0.00 N ATOM 567 CA ALA A 97 4.518 5.479 -5.471 1.00 0.00 C ATOM 568 C ALA A 97 6.017 5.459 -5.786 1.00 0.00 C ATOM 569 O ALA A 97 6.412 4.991 -6.861 1.00 0.00 O ATOM 570 CB ALA A 97 3.902 6.824 -5.833 1.00 0.00 C ATOM 0 H ALA A 97 3.874 5.922 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 97 4.040 4.714 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.102 7.045 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.825 6.787 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.338 7.604 -5.208 1.00 0.00 H new ATOM 576 N ASP A 98 6.857 5.924 -4.836 1.00 0.00 N ATOM 577 CA ASP A 98 8.331 5.927 -5.054 1.00 0.00 C ATOM 578 C ASP A 98 8.886 4.512 -5.115 1.00 0.00 C ATOM 579 O ASP A 98 9.839 4.235 -5.840 1.00 0.00 O ATOM 580 CB ASP A 98 9.139 6.805 -4.040 1.00 0.00 C ATOM 581 CG ASP A 98 9.201 6.311 -2.591 1.00 0.00 C ATOM 582 OD1 ASP A 98 9.817 5.250 -2.293 1.00 0.00 O ATOM 583 OD2 ASP A 98 8.689 7.003 -1.697 1.00 0.00 O ATOM 0 H ASP A 98 6.557 6.293 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 98 8.470 6.405 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.160 6.898 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.707 7.806 -4.039 1.00 0.00 H new ATOM 588 N LYS A 99 8.243 3.601 -4.398 1.00 0.00 N ATOM 589 CA LYS A 99 8.630 2.194 -4.418 1.00 0.00 C ATOM 590 C LYS A 99 8.069 1.509 -5.647 1.00 0.00 C ATOM 591 O LYS A 99 8.304 0.313 -5.892 1.00 0.00 O ATOM 592 CB LYS A 99 8.110 1.466 -3.194 1.00 0.00 C ATOM 593 CG LYS A 99 8.662 1.925 -1.861 1.00 0.00 C ATOM 594 CD LYS A 99 10.193 1.787 -1.768 1.00 0.00 C ATOM 595 CE LYS A 99 10.695 0.378 -2.135 1.00 0.00 C ATOM 596 NZ LYS A 99 10.061 -0.692 -1.340 1.00 0.00 N ATOM 0 H LYS A 99 7.449 3.810 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 99 9.719 2.159 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.025 1.568 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.328 0.404 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.385 2.967 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.200 1.344 -1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.659 2.516 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.513 2.028 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.506 0.196 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.775 0.336 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.416 -1.617 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.291 -0.560 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.030 -0.654 -1.467 1.00 0.00 H new ATOM 610 N GLY A 100 7.282 2.240 -6.375 1.00 0.00 N ATOM 611 CA GLY A 100 6.712 1.738 -7.561 1.00 0.00 C ATOM 612 C GLY A 100 5.545 0.849 -7.295 1.00 0.00 C ATOM 613 O GLY A 100 5.354 -0.136 -7.990 1.00 0.00 O ATOM 0 H GLY A 100 7.024 3.201 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.396 2.570 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.468 1.185 -8.119 1.00 0.00 H new ATOM 617 N TYR A 101 4.796 1.135 -6.267 1.00 0.00 N ATOM 618 CA TYR A 101 3.591 0.381 -6.030 1.00 0.00 C ATOM 619 C TYR A 101 2.464 1.055 -6.779 1.00 0.00 C ATOM 620 O TYR A 101 2.554 2.246 -7.111 1.00 0.00 O ATOM 621 CB TYR A 101 3.260 0.259 -4.532 1.00 0.00 C ATOM 622 CG TYR A 101 4.377 -0.342 -3.691 1.00 0.00 C ATOM 623 CD1 TYR A 101 5.192 -1.351 -4.184 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.619 0.118 -2.411 1.00 0.00 C ATOM 625 CE1 TYR A 101 6.221 -1.873 -3.421 1.00 0.00 C ATOM 626 CE2 TYR A 101 5.634 -0.402 -1.641 1.00 0.00 C ATOM 627 CZ TYR A 101 6.435 -1.392 -2.151 1.00 0.00 C ATOM 628 OH TYR A 101 7.470 -1.885 -1.398 1.00 0.00 O ATOM 0 H TYR A 101 4.991 1.871 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 101 3.733 -0.638 -6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.020 1.249 -4.143 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.366 -0.353 -4.418 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.020 -1.735 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.998 0.903 -2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.852 -2.653 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.799 -0.032 -0.640 1.00 0.00 H new ATOM 0 HH TYR A 101 7.482 -1.438 -0.526 1.00 0.00 H new ATOM 638 N THR A 102 1.453 0.318 -7.103 1.00 0.00 N ATOM 639 CA THR A 102 0.334 0.841 -7.829 1.00 0.00 C ATOM 640 C THR A 102 -0.904 0.085 -7.380 1.00 0.00 C ATOM 641 O THR A 102 -0.777 -1.048 -6.931 1.00 0.00 O ATOM 642 CB THR A 102 0.576 0.695 -9.366 1.00 0.00 C ATOM 643 OG1 THR A 102 1.810 1.346 -9.696 1.00 0.00 O ATOM 644 CG2 THR A 102 -0.542 1.340 -10.183 1.00 0.00 C ATOM 0 H THR A 102 1.376 -0.672 -6.871 1.00 0.00 H new ATOM 0 HA THR A 102 0.200 1.904 -7.628 1.00 0.00 H new ATOM 0 HB THR A 102 0.605 -0.368 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.977 1.262 -10.658 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.334 1.216 -11.246 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.492 0.863 -9.941 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.599 2.402 -9.946 1.00 0.00 H new ATOM 652 N LEU A 103 -2.073 0.723 -7.470 1.00 0.00 N ATOM 653 CA LEU A 103 -3.366 0.154 -7.040 1.00 0.00 C ATOM 654 C LEU A 103 -3.568 -1.296 -7.500 1.00 0.00 C ATOM 655 O LEU A 103 -3.904 -2.147 -6.704 1.00 0.00 O ATOM 656 CB LEU A 103 -4.518 1.027 -7.550 1.00 0.00 C ATOM 657 CG LEU A 103 -5.933 0.575 -7.170 1.00 0.00 C ATOM 658 CD1 LEU A 103 -6.144 0.628 -5.660 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.969 1.412 -7.896 1.00 0.00 C ATOM 0 H LEU A 103 -2.156 1.666 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.357 0.142 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.371 2.040 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.455 1.076 -8.637 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.053 -0.463 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.157 0.302 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.426 -0.029 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.000 1.650 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.968 1.078 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.846 2.460 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.838 1.300 -8.972 1.00 0.00 H new ATOM 671 N THR A 104 -3.310 -1.557 -8.767 1.00 0.00 N ATOM 672 CA THR A 104 -3.487 -2.888 -9.339 1.00 0.00 C ATOM 673 C THR A 104 -2.506 -3.916 -8.729 1.00 0.00 C ATOM 674 O THR A 104 -2.787 -5.106 -8.686 1.00 0.00 O ATOM 675 CB THR A 104 -3.354 -2.847 -10.895 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.499 -4.149 -11.463 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.018 -2.236 -11.325 1.00 0.00 C ATOM 0 H THR A 104 -2.973 -0.859 -9.430 1.00 0.00 H new ATOM 0 HA THR A 104 -4.496 -3.216 -9.088 1.00 0.00 H new ATOM 0 HB THR A 104 -4.160 -2.214 -11.268 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.413 -4.092 -12.438 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.958 -2.222 -12.413 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.945 -1.217 -10.945 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.199 -2.833 -10.924 1.00 0.00 H new ATOM 685 N GLN A 105 -1.363 -3.445 -8.268 1.00 0.00 N ATOM 686 CA GLN A 105 -0.382 -4.309 -7.648 1.00 0.00 C ATOM 687 C GLN A 105 -0.701 -4.463 -6.166 1.00 0.00 C ATOM 688 O GLN A 105 -0.352 -5.454 -5.537 1.00 0.00 O ATOM 689 CB GLN A 105 1.038 -3.773 -7.871 1.00 0.00 C ATOM 690 CG GLN A 105 1.399 -3.642 -9.342 1.00 0.00 C ATOM 691 CD GLN A 105 2.831 -3.222 -9.590 1.00 0.00 C ATOM 692 OE1 GLN A 105 3.139 -2.032 -9.656 1.00 0.00 O ATOM 693 NE2 GLN A 105 3.701 -4.183 -9.766 1.00 0.00 N ATOM 0 H GLN A 105 -1.092 -2.463 -8.313 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.427 -5.294 -8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.132 -2.799 -7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.752 -4.438 -7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.221 -4.597 -9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.733 -2.915 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.405 -5.157 -9.703 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.676 -3.958 -9.966 1.00 0.00 H new ATOM 702 N LEU A 106 -1.410 -3.474 -5.625 1.00 0.00 N ATOM 703 CA LEU A 106 -1.814 -3.464 -4.224 1.00 0.00 C ATOM 704 C LEU A 106 -2.820 -4.586 -3.997 1.00 0.00 C ATOM 705 O LEU A 106 -2.901 -5.168 -2.905 1.00 0.00 O ATOM 706 CB LEU A 106 -2.457 -2.122 -3.859 1.00 0.00 C ATOM 707 CG LEU A 106 -2.684 -1.877 -2.370 1.00 0.00 C ATOM 708 CD1 LEU A 106 -1.375 -1.532 -1.676 1.00 0.00 C ATOM 709 CD2 LEU A 106 -3.726 -0.807 -2.135 1.00 0.00 C ATOM 0 H LEU A 106 -1.720 -2.656 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.935 -3.609 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.828 -1.321 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.417 -2.050 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.066 -2.801 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.559 -1.361 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.672 -2.357 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.954 -0.630 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.861 -0.660 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.398 0.127 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.672 -1.116 -2.581 1.00 0.00 H new ATOM 721 N SER A 107 -3.563 -4.897 -5.057 1.00 0.00 N ATOM 722 CA SER A 107 -4.531 -5.965 -5.082 1.00 0.00 C ATOM 723 C SER A 107 -3.848 -7.310 -4.761 1.00 0.00 C ATOM 724 O SER A 107 -4.487 -8.263 -4.272 1.00 0.00 O ATOM 725 CB SER A 107 -5.139 -6.011 -6.477 1.00 0.00 C ATOM 726 OG SER A 107 -5.390 -4.694 -6.940 1.00 0.00 O ATOM 0 H SER A 107 -3.498 -4.393 -5.941 1.00 0.00 H new ATOM 0 HA SER A 107 -5.305 -5.790 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.462 -6.523 -7.161 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.067 -6.582 -6.460 1.00 0.00 H new ATOM 0 HG SER A 107 -5.780 -4.732 -7.838 1.00 0.00 H new ATOM 732 N ASP A 108 -2.582 -7.413 -5.107 1.00 0.00 N ATOM 733 CA ASP A 108 -1.794 -8.576 -4.769 1.00 0.00 C ATOM 734 C ASP A 108 -1.177 -8.471 -3.365 1.00 0.00 C ATOM 735 O ASP A 108 -1.181 -9.442 -2.606 1.00 0.00 O ATOM 736 CB ASP A 108 -0.730 -8.876 -5.820 1.00 0.00 C ATOM 737 CG ASP A 108 0.140 -10.035 -5.403 1.00 0.00 C ATOM 738 OD1 ASP A 108 -0.400 -11.132 -5.105 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.369 -9.867 -5.304 1.00 0.00 O ATOM 0 H ASP A 108 -2.074 -6.697 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.484 -9.420 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.210 -9.103 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.112 -7.992 -5.977 1.00 0.00 H new ATOM 744 N PHE A 109 -0.680 -7.276 -3.020 1.00 0.00 N ATOM 745 CA PHE A 109 0.020 -7.057 -1.734 1.00 0.00 C ATOM 746 C PHE A 109 -0.902 -7.279 -0.548 1.00 0.00 C ATOM 747 O PHE A 109 -0.578 -8.026 0.378 1.00 0.00 O ATOM 748 CB PHE A 109 0.586 -5.626 -1.635 1.00 0.00 C ATOM 749 CG PHE A 109 1.489 -5.201 -2.759 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.255 -6.117 -3.446 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.555 -3.874 -3.131 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.068 -5.725 -4.471 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.368 -3.473 -4.160 1.00 0.00 C ATOM 754 CZ PHE A 109 3.128 -4.398 -4.831 1.00 0.00 C ATOM 0 H PHE A 109 -0.746 -6.444 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 109 0.834 -7.781 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.249 -4.928 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.136 -5.537 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.212 -7.160 -3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.959 -3.142 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.663 -6.456 -4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.410 -2.431 -4.442 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.772 -4.085 -5.640 1.00 0.00 H new ATOM 764 N LEU A 110 -2.057 -6.645 -0.603 1.00 0.00 N ATOM 765 CA LEU A 110 -3.069 -6.754 0.445 1.00 0.00 C ATOM 766 C LEU A 110 -3.821 -8.038 0.262 1.00 0.00 C ATOM 767 O LEU A 110 -4.244 -8.691 1.223 1.00 0.00 O ATOM 768 CB LEU A 110 -4.021 -5.549 0.384 1.00 0.00 C ATOM 769 CG LEU A 110 -3.579 -4.253 1.111 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.140 -3.874 0.808 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.496 -3.115 0.719 1.00 0.00 C ATOM 0 H LEU A 110 -2.327 -6.036 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.592 -6.756 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.190 -5.306 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.981 -5.857 0.798 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.644 -4.444 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.884 -2.959 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.477 -4.678 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.024 -3.712 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.185 -2.204 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.445 -2.961 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.520 -3.359 1.003 1.00 0.00 H new ATOM 783 N LYS A 111 -3.891 -8.396 -0.987 1.00 0.00 N ATOM 784 CA LYS A 111 -4.539 -9.554 -1.514 1.00 0.00 C ATOM 785 C LYS A 111 -6.046 -9.411 -1.486 1.00 0.00 C ATOM 786 O LYS A 111 -6.740 -9.910 -0.599 1.00 0.00 O ATOM 787 CB LYS A 111 -4.070 -10.892 -0.919 1.00 0.00 C ATOM 788 CG LYS A 111 -4.340 -12.061 -1.858 1.00 0.00 C ATOM 789 CD LYS A 111 -3.419 -11.978 -3.082 1.00 0.00 C ATOM 790 CE LYS A 111 -4.171 -12.139 -4.400 1.00 0.00 C ATOM 791 NZ LYS A 111 -5.142 -11.027 -4.637 1.00 0.00 N ATOM 0 H LYS A 111 -3.459 -7.836 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.221 -9.601 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.003 -10.839 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.578 -11.065 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.178 -13.003 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.382 -12.049 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.903 -11.018 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.654 -12.751 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.456 -12.176 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.704 -13.090 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.529 -11.104 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.917 -11.089 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.656 -10.114 -4.531 1.00 0.00 H new ATOM 905 N TYR A 118 -8.855 -5.376 4.159 1.00 0.00 N ATOM 906 CA TYR A 118 -8.033 -4.287 3.657 1.00 0.00 C ATOM 907 C TYR A 118 -8.757 -3.401 2.653 1.00 0.00 C ATOM 908 O TYR A 118 -8.155 -2.489 2.116 1.00 0.00 O ATOM 909 CB TYR A 118 -6.743 -4.776 3.016 1.00 0.00 C ATOM 910 CG TYR A 118 -5.918 -5.731 3.839 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.102 -5.277 4.867 1.00 0.00 C ATOM 912 CD2 TYR A 118 -5.937 -7.089 3.564 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.330 -6.160 5.600 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.177 -7.973 4.290 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.377 -7.510 5.303 1.00 0.00 C ATOM 916 OH TYR A 118 -3.597 -8.408 6.019 1.00 0.00 O ATOM 0 HA TYR A 118 -7.800 -3.698 4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.991 -5.261 2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.128 -3.909 2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.070 -4.222 5.097 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.561 -7.459 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.697 -5.799 6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.209 -9.029 4.064 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.155 -9.151 6.330 1.00 0.00 H new ATOM 926 N ASP A 119 -10.020 -3.635 2.395 1.00 0.00 N ATOM 927 CA ASP A 119 -10.731 -2.816 1.396 1.00 0.00 C ATOM 928 C ASP A 119 -10.825 -1.359 1.824 1.00 0.00 C ATOM 929 O ASP A 119 -10.787 -0.448 0.985 1.00 0.00 O ATOM 930 CB ASP A 119 -12.097 -3.399 0.970 1.00 0.00 C ATOM 931 CG ASP A 119 -13.087 -3.633 2.095 1.00 0.00 C ATOM 932 OD1 ASP A 119 -12.708 -3.488 3.286 1.00 0.00 O ATOM 933 OD2 ASP A 119 -14.243 -4.037 1.779 1.00 0.00 O ATOM 0 H ASP A 119 -10.581 -4.362 2.840 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.119 -2.849 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.551 -2.723 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -11.925 -4.346 0.458 1.00 0.00 H new ATOM 938 N ARG A 120 -10.869 -1.154 3.138 1.00 0.00 N ATOM 939 CA ARG A 120 -10.836 0.173 3.760 1.00 0.00 C ATOM 940 C ARG A 120 -9.579 0.940 3.275 1.00 0.00 C ATOM 941 O ARG A 120 -9.655 2.111 2.903 1.00 0.00 O ATOM 942 CB ARG A 120 -10.777 0.012 5.309 1.00 0.00 C ATOM 943 CG ARG A 120 -11.242 1.228 6.158 1.00 0.00 C ATOM 944 CD ARG A 120 -10.384 2.478 5.970 1.00 0.00 C ATOM 945 NE ARG A 120 -10.720 3.544 6.932 1.00 0.00 N ATOM 946 CZ ARG A 120 -9.891 4.560 7.252 1.00 0.00 C ATOM 947 NH1 ARG A 120 -8.812 4.801 6.498 1.00 0.00 N ATOM 948 NH2 ARG A 120 -10.165 5.349 8.298 1.00 0.00 N ATOM 0 H ARG A 120 -10.930 -1.915 3.814 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.731 0.730 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -11.387 -0.848 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.750 -0.224 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -12.274 1.465 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.233 0.948 7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.332 2.213 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.514 2.855 4.955 1.00 0.00 H new ATOM 0 HE ARG A 120 -11.634 3.512 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.618 4.218 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.184 5.568 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.002 5.183 8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.536 6.116 8.537 1.00 0.00 H new ATOM 962 N VAL A 121 -8.439 0.267 3.285 1.00 0.00 N ATOM 963 CA VAL A 121 -7.182 0.902 2.904 1.00 0.00 C ATOM 964 C VAL A 121 -6.993 0.889 1.382 1.00 0.00 C ATOM 965 O VAL A 121 -6.468 1.833 0.804 1.00 0.00 O ATOM 966 CB VAL A 121 -5.934 0.284 3.650 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.801 -1.197 3.429 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.657 0.995 3.258 1.00 0.00 C ATOM 0 H VAL A 121 -8.356 -0.714 3.551 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.246 1.941 3.226 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.107 0.435 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.927 -1.568 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.694 -1.702 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.686 -1.397 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.815 0.548 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.503 0.899 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.732 2.050 3.521 1.00 0.00 H new ATOM 978 N TYR A 122 -7.481 -0.158 0.754 1.00 0.00 N ATOM 979 CA TYR A 122 -7.386 -0.349 -0.682 1.00 0.00 C ATOM 980 C TYR A 122 -8.080 0.801 -1.424 1.00 0.00 C ATOM 981 O TYR A 122 -7.480 1.458 -2.283 1.00 0.00 O ATOM 982 CB TYR A 122 -8.030 -1.688 -1.032 1.00 0.00 C ATOM 983 CG TYR A 122 -7.936 -2.092 -2.471 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.807 -2.728 -2.956 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.986 -1.861 -3.340 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.728 -3.125 -4.265 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.916 -2.246 -4.652 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.782 -2.883 -5.113 1.00 0.00 C ATOM 989 OH TYR A 122 -7.709 -3.297 -6.422 1.00 0.00 O ATOM 0 H TYR A 122 -7.965 -0.917 1.234 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.340 -0.353 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.566 -2.464 -0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.083 -1.649 -0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.975 -2.914 -2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.876 -1.369 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.842 -3.625 -4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.742 -2.053 -5.321 1.00 0.00 H new ATOM 0 HH TYR A 122 -6.832 -3.702 -6.589 1.00 0.00 H new ATOM 999 N ASN A 123 -9.334 1.041 -1.064 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.129 2.134 -1.643 1.00 0.00 C ATOM 1001 C ASN A 123 -9.495 3.492 -1.325 1.00 0.00 C ATOM 1002 O ASN A 123 -9.522 4.405 -2.138 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.574 2.091 -1.107 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.485 3.161 -1.712 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.109 2.946 -2.734 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -12.585 4.305 -1.069 1.00 0.00 N ATOM 0 H ASN A 123 -9.834 0.490 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.149 2.003 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.998 1.108 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.554 2.213 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.198 5.039 -1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -12.050 4.458 -0.214 1.00 0.00 H new ATOM 1013 N GLY A 124 -8.895 3.597 -0.143 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.261 4.833 0.267 1.00 0.00 C ATOM 1015 C GLY A 124 -7.026 5.129 -0.558 1.00 0.00 C ATOM 1016 O GLY A 124 -6.746 6.278 -0.884 1.00 0.00 O ATOM 0 H GLY A 124 -8.838 2.842 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.970 5.655 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -7.989 4.770 1.321 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.283 4.086 -0.882 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.102 4.210 -1.708 1.00 0.00 C ATOM 1022 C TYR A 125 -5.489 4.561 -3.128 1.00 0.00 C ATOM 1023 O TYR A 125 -4.799 5.324 -3.784 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.280 2.918 -1.670 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.043 2.918 -2.556 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -1.949 3.710 -2.258 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -2.973 2.112 -3.679 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -0.821 3.699 -3.054 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -1.852 2.093 -4.471 1.00 0.00 C ATOM 1030 CZ TYR A 125 -0.781 2.883 -4.156 1.00 0.00 C ATOM 1031 OH TYR A 125 0.337 2.864 -4.961 1.00 0.00 O ATOM 0 H TYR A 125 -6.483 3.133 -0.579 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.483 5.015 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -3.972 2.731 -0.641 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -4.921 2.088 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -1.978 4.348 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.815 1.487 -3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 125 0.023 4.328 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.816 1.455 -5.342 1.00 0.00 H new ATOM 0 HH TYR A 125 0.107 3.212 -5.848 1.00 0.00 H new ATOM 1041 N MET A 126 -6.615 4.017 -3.579 1.00 0.00 N ATOM 1042 CA MET A 126 -7.155 4.266 -4.925 1.00 0.00 C ATOM 1043 C MET A 126 -7.261 5.758 -5.221 1.00 0.00 C ATOM 1044 O MET A 126 -6.925 6.198 -6.322 1.00 0.00 O ATOM 1045 CB MET A 126 -8.525 3.586 -5.080 1.00 0.00 C ATOM 1046 CG MET A 126 -9.269 3.927 -6.366 1.00 0.00 C ATOM 1047 SD MET A 126 -10.808 3.008 -6.537 1.00 0.00 S ATOM 1048 CE MET A 126 -11.460 3.738 -8.035 1.00 0.00 C ATOM 0 H MET A 126 -7.188 3.384 -3.021 1.00 0.00 H new ATOM 0 HA MET A 126 -6.462 3.837 -5.649 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.386 2.506 -5.034 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.150 3.863 -4.231 1.00 0.00 H new ATOM 0 HG2 MET A 126 -9.484 4.995 -6.385 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.626 3.715 -7.221 1.00 0.00 H new ATOM 0 HE1 MET A 126 -12.416 3.275 -8.279 1.00 0.00 H new ATOM 0 HE2 MET A 126 -11.602 4.808 -7.886 1.00 0.00 H new ATOM 0 HE3 MET A 126 -10.759 3.576 -8.854 1.00 0.00 H new ATOM 1058 N THR A 127 -7.627 6.512 -4.198 1.00 0.00 N ATOM 1059 CA THR A 127 -7.834 7.949 -4.260 1.00 0.00 C ATOM 1060 C THR A 127 -6.586 8.739 -4.783 1.00 0.00 C ATOM 1061 O THR A 127 -6.706 9.880 -5.219 1.00 0.00 O ATOM 1062 CB THR A 127 -8.267 8.452 -2.866 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.324 7.594 -2.391 1.00 0.00 O ATOM 1064 CG2 THR A 127 -8.793 9.884 -2.922 1.00 0.00 C ATOM 0 H THR A 127 -7.794 6.126 -3.269 1.00 0.00 H new ATOM 0 HA THR A 127 -8.620 8.139 -4.991 1.00 0.00 H new ATOM 0 HB THR A 127 -7.402 8.433 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 127 -9.615 7.893 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.088 10.203 -1.922 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.011 10.544 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.656 9.929 -3.586 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.380 8.139 -4.752 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.209 8.870 -5.247 1.00 0.00 C ATOM 1074 C TYR A 128 -4.272 9.055 -6.766 1.00 0.00 C ATOM 1075 O TYR A 128 -3.638 9.947 -7.323 1.00 0.00 O ATOM 1076 CB TYR A 128 -2.857 8.262 -4.791 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.330 7.035 -5.540 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.171 6.053 -6.056 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -0.960 6.860 -5.696 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.670 4.952 -6.694 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.457 5.760 -6.343 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.319 4.812 -6.839 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.822 3.706 -7.460 1.00 0.00 O ATOM 0 H TYR A 128 -5.199 7.196 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.250 9.856 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.100 9.044 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.949 7.996 -3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.240 6.163 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.281 7.602 -5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.339 4.197 -7.081 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.610 5.640 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.183 3.978 -8.151 1.00 0.00 H new ATOM 1093 N ARG A 129 -5.110 8.236 -7.418 1.00 0.00 N ATOM 1094 CA ARG A 129 -5.293 8.303 -8.859 1.00 0.00 C ATOM 1095 C ARG A 129 -6.057 9.545 -9.233 1.00 0.00 C ATOM 1096 O ARG A 129 -5.997 10.000 -10.369 1.00 0.00 O ATOM 1097 CB ARG A 129 -6.052 7.078 -9.398 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.325 5.726 -9.358 1.00 0.00 C ATOM 1099 CD ARG A 129 -4.071 5.689 -10.252 1.00 0.00 C ATOM 1100 NE ARG A 129 -2.876 6.230 -9.598 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.303 7.426 -9.823 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -2.786 8.266 -10.735 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -1.240 7.762 -9.132 1.00 0.00 N ATOM 0 H ARG A 129 -5.671 7.518 -6.959 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.299 8.323 -9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.979 6.980 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.330 7.281 -10.432 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.038 5.505 -8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.012 4.941 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.878 4.659 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.266 6.255 -11.163 1.00 0.00 H new ATOM 0 HE ARG A 129 -2.432 5.636 -8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -3.608 8.008 -11.281 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -2.334 9.168 -10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.860 7.120 -8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.793 8.665 -9.290 1.00 0.00 H new ATOM 1117 N ASP A 130 -6.762 10.071 -8.266 1.00 0.00 N ATOM 1118 CA ASP A 130 -7.616 11.213 -8.445 1.00 0.00 C ATOM 1119 C ASP A 130 -6.835 12.518 -8.338 1.00 0.00 C ATOM 1120 O ASP A 130 -7.381 13.591 -8.604 1.00 0.00 O ATOM 1121 CB ASP A 130 -8.751 11.193 -7.402 1.00 0.00 C ATOM 1122 CG ASP A 130 -9.590 9.919 -7.451 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -9.132 8.880 -6.904 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -10.696 9.948 -8.017 1.00 0.00 O ATOM 0 H ASP A 130 -6.758 9.709 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 130 -8.042 11.157 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -8.322 11.300 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -9.400 12.054 -7.564 1.00 0.00 H new ATOM 1129 N TYR A 131 -5.555 12.459 -7.939 1.00 0.00 N ATOM 1130 CA TYR A 131 -4.797 13.701 -7.854 1.00 0.00 C ATOM 1131 C TYR A 131 -3.442 13.691 -8.576 1.00 0.00 C ATOM 1132 O TYR A 131 -3.074 14.701 -9.175 1.00 0.00 O ATOM 1133 CB TYR A 131 -4.700 14.262 -6.404 1.00 0.00 C ATOM 1134 CG TYR A 131 -4.071 13.355 -5.350 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -2.702 13.367 -5.116 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -4.855 12.516 -4.570 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -2.133 12.570 -4.145 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -4.291 11.713 -3.597 1.00 0.00 C ATOM 1139 CZ TYR A 131 -2.930 11.746 -3.389 1.00 0.00 C ATOM 1140 OH TYR A 131 -2.364 10.949 -2.421 1.00 0.00 O ATOM 0 H TYR A 131 -5.051 11.610 -7.684 1.00 0.00 H new ATOM 0 HA TYR A 131 -5.399 14.408 -8.424 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -4.128 15.189 -6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -5.706 14.519 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -2.070 14.014 -5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.923 12.490 -4.726 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -1.066 12.594 -3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.915 11.062 -3.002 1.00 0.00 H new ATOM 0 HH TYR A 131 -2.159 11.490 -1.630 1.00 0.00 H new ATOM 1150 N VAL A 132 -2.718 12.575 -8.550 1.00 0.00 N ATOM 1151 CA VAL A 132 -1.419 12.473 -9.247 1.00 0.00 C ATOM 1152 C VAL A 132 -1.251 11.039 -9.729 1.00 0.00 C ATOM 1153 O VAL A 132 -0.643 10.230 -9.015 1.00 0.00 O ATOM 1154 CB VAL A 132 -0.169 12.872 -8.340 1.00 0.00 C ATOM 1155 CG1 VAL A 132 1.144 12.703 -9.109 1.00 0.00 C ATOM 1156 CG2 VAL A 132 -0.255 14.312 -7.846 1.00 0.00 C ATOM 1157 OXT VAL A 132 -1.791 10.687 -10.794 1.00 0.00 O ATOM 0 H VAL A 132 -2.999 11.727 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.436 13.184 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 132 -0.189 12.201 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 132 1.980 12.982 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 132 1.254 11.663 -9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 132 1.134 13.344 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 132 0.617 14.539 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -0.284 14.989 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -1.160 14.439 -7.252 1.00 0.00 H new