USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 798 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 65 TYR OH : rot 79:sc= 0.855 USER MOD Set 1.2: B 13 ASN : amide:sc= -0.8 K(o=0.055,f=-0.66!) USER MOD Set 2.1: A 67 TYR OH : rot -132:sc= 0.333 USER MOD Set 2.2: B 11 ASN : amide:sc= 0.364 K(o=0.7,f=-0.93!) USER MOD Set 3.1: A 76 SER OG : rot -70:sc= 0.00858 USER MOD Set 3.2: A 82 THR OG1 : rot -106:sc= 1.17! USER MOD Set 4.1: A 17 HIS : no HD1:sc= -3.93! C(o=-4.6!,f=-9.2!) USER MOD Set 4.2: A 19 THR OG1 : rot -14:sc= -0.647 USER MOD Single : A 16 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -167:sc= -0.466 (180deg=-0.933) USER MOD Single : A 41 THR OG1 : rot -10:sc= 0.512 USER MOD Single : A 42 GLN : amide:sc= -0.235 K(o=-0.23,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 59 TYR OH : rot 156:sc= 1.02 USER MOD Single : A 61 CYS SG : rot -57:sc= -0.722 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.87) USER MOD Single : A 73 SER OG : rot 43:sc= -0.619 USER MOD Single : A 80 CYS SG : rot -105:sc= -0.524 USER MOD Single : A 81 GLN : amide:sc= -8.78! C(o=-8.8!,f=-18!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= -0.289 (180deg=-0.341) USER MOD Single : A 91 CYS SG : rot 47:sc= -0.481 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.92 K(o=-0.92,f=-2.2!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -103:sc= -2 (180deg=-2.62) USER MOD Single : B 6 HIS : no HD1:sc= -1.39! C(o=-1.4!,f=-6.9!) USER MOD Single : B 9 CYS SG : rot -160:sc= -0.365 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.152 12.648 -7.991 1.00 0.00 N ATOM 163 CA PRO A 14 15.040 12.582 -8.944 1.00 0.00 C ATOM 164 C PRO A 14 13.774 12.004 -8.321 1.00 0.00 C ATOM 165 O PRO A 14 13.831 11.321 -7.298 1.00 0.00 O ATOM 166 CB PRO A 14 15.568 11.654 -10.041 1.00 0.00 C ATOM 167 CG PRO A 14 16.590 10.809 -9.362 1.00 0.00 C ATOM 168 CD PRO A 14 17.216 11.682 -8.309 1.00 0.00 C ATOM 0 HA PRO A 14 14.753 13.570 -9.303 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.768 11.046 -10.464 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.005 12.221 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.132 9.926 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.338 10.456 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.511 11.106 -7.432 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.112 12.179 -8.680 1.00 0.00 H new ATOM 176 N ASP A 15 12.634 12.282 -8.943 1.00 0.00 N ATOM 177 CA ASP A 15 11.354 11.787 -8.449 1.00 0.00 C ATOM 178 C ASP A 15 11.182 10.306 -8.771 1.00 0.00 C ATOM 179 O ASP A 15 10.151 9.710 -8.465 1.00 0.00 O ATOM 180 CB ASP A 15 10.204 12.591 -9.057 1.00 0.00 C ATOM 181 CG ASP A 15 8.966 12.584 -8.182 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.092 12.872 -6.973 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.871 12.292 -8.706 1.00 0.00 O ATOM 0 H ASP A 15 12.570 12.847 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 15 11.339 11.908 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.528 13.620 -9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.956 12.181 -10.036 1.00 0.00 H new ATOM 188 N ASN A 16 12.200 9.719 -9.393 1.00 0.00 N ATOM 189 CA ASN A 16 12.161 8.308 -9.758 1.00 0.00 C ATOM 190 C ASN A 16 13.446 7.601 -9.337 1.00 0.00 C ATOM 191 O ASN A 16 13.926 6.700 -10.026 1.00 0.00 O ATOM 192 CB ASN A 16 11.953 8.156 -11.267 1.00 0.00 C ATOM 193 CG ASN A 16 10.555 8.555 -11.700 1.00 0.00 C ATOM 194 OD1 ASN A 16 9.563 8.052 -11.173 1.00 0.00 O ATOM 195 ND2 ASN A 16 10.472 9.462 -12.666 1.00 0.00 N ATOM 0 H ASN A 16 13.061 10.199 -9.654 1.00 0.00 H new ATOM 0 HA ASN A 16 11.325 7.846 -9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.683 8.769 -11.795 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.138 7.121 -11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.559 9.769 -13.000 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.322 9.852 -13.074 1.00 0.00 H new ATOM 202 N HIS A 17 13.999 8.017 -8.202 1.00 0.00 N ATOM 203 CA HIS A 17 15.228 7.423 -7.688 1.00 0.00 C ATOM 204 C HIS A 17 14.995 5.976 -7.261 1.00 0.00 C ATOM 205 O HIS A 17 13.971 5.635 -6.669 1.00 0.00 O ATOM 206 CB HIS A 17 15.757 8.236 -6.507 1.00 0.00 C ATOM 207 CG HIS A 17 17.250 8.215 -6.386 1.00 0.00 C ATOM 208 ND1 HIS A 17 17.907 7.776 -5.256 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.214 8.580 -7.262 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.211 7.874 -5.442 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.424 8.359 -6.652 1.00 0.00 N ATOM 0 H HIS A 17 13.616 8.763 -7.621 1.00 0.00 H new ATOM 0 HA HIS A 17 15.969 7.433 -8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.423 9.269 -6.609 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.321 7.850 -5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.060 8.972 -8.256 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.973 7.604 -4.726 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.339 8.540 -7.066 1.00 0.00 H new ATOM 220 N PRO A 18 15.967 5.104 -7.569 1.00 0.00 N ATOM 221 CA PRO A 18 15.890 3.681 -7.227 1.00 0.00 C ATOM 222 C PRO A 18 16.013 3.438 -5.727 1.00 0.00 C ATOM 223 O PRO A 18 15.476 2.463 -5.199 1.00 0.00 O ATOM 224 CB PRO A 18 17.085 3.074 -7.967 1.00 0.00 C ATOM 225 CG PRO A 18 18.049 4.200 -8.118 1.00 0.00 C ATOM 226 CD PRO A 18 17.215 5.441 -8.275 1.00 0.00 C ATOM 0 HA PRO A 18 14.931 3.245 -7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.523 2.251 -7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.789 2.674 -8.937 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.701 4.275 -7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.692 4.050 -8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.703 6.311 -7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.033 5.673 -9.324 1.00 0.00 H new ATOM 234 N THR A 19 16.723 4.330 -5.043 1.00 0.00 N ATOM 235 CA THR A 19 16.916 4.212 -3.604 1.00 0.00 C ATOM 236 C THR A 19 15.934 5.095 -2.843 1.00 0.00 C ATOM 237 O THR A 19 15.490 4.747 -1.748 1.00 0.00 O ATOM 238 CB THR A 19 18.352 4.594 -3.197 1.00 0.00 C ATOM 239 OG1 THR A 19 18.614 5.958 -3.544 1.00 0.00 O ATOM 240 CG2 THR A 19 19.367 3.688 -3.879 1.00 0.00 C ATOM 0 H THR A 19 17.174 5.143 -5.464 1.00 0.00 H new ATOM 0 HA THR A 19 16.738 3.168 -3.346 1.00 0.00 H new ATOM 0 HB THR A 19 18.445 4.470 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.920 6.279 -4.157 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.374 3.977 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.184 2.653 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.272 3.784 -4.961 1.00 0.00 H new ATOM 248 N LYS A 20 15.596 6.238 -3.429 1.00 0.00 N ATOM 249 CA LYS A 20 14.663 7.171 -2.807 1.00 0.00 C ATOM 250 C LYS A 20 13.378 7.278 -3.621 1.00 0.00 C ATOM 251 O LYS A 20 13.384 7.092 -4.838 1.00 0.00 O ATOM 252 CB LYS A 20 15.308 8.552 -2.668 1.00 0.00 C ATOM 253 CG LYS A 20 16.038 8.753 -1.352 1.00 0.00 C ATOM 254 CD LYS A 20 17.388 8.054 -1.351 1.00 0.00 C ATOM 255 CE LYS A 20 18.493 8.976 -1.844 1.00 0.00 C ATOM 256 NZ LYS A 20 19.093 9.766 -0.733 1.00 0.00 N ATOM 0 H LYS A 20 15.954 6.541 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 20 14.414 6.792 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.009 8.700 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.536 9.316 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.179 9.819 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.428 8.370 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.621 7.712 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.341 7.169 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.269 8.385 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.091 9.655 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.842 10.382 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.358 10.349 -0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.499 9.119 -0.027 1.00 0.00 H new ATOM 270 N PHE A 21 12.276 7.580 -2.941 1.00 0.00 N ATOM 271 CA PHE A 21 10.983 7.713 -3.602 1.00 0.00 C ATOM 272 C PHE A 21 10.139 8.794 -2.933 1.00 0.00 C ATOM 273 O PHE A 21 9.610 8.597 -1.839 1.00 0.00 O ATOM 274 CB PHE A 21 10.235 6.378 -3.577 1.00 0.00 C ATOM 275 CG PHE A 21 11.043 5.228 -4.107 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.003 4.616 -3.318 1.00 0.00 C ATOM 277 CD2 PHE A 21 10.842 4.760 -5.396 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.748 3.558 -3.803 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.584 3.702 -5.886 1.00 0.00 C ATOM 280 CZ PHE A 21 12.539 3.101 -5.089 1.00 0.00 C ATOM 0 H PHE A 21 12.253 7.737 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 21 11.160 8.004 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.934 6.159 -2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.322 6.471 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.171 4.970 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.098 5.227 -6.024 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.493 3.089 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.417 3.345 -6.892 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.121 2.275 -5.471 1.00 0.00 H new ATOM 290 N LYS A 22 10.018 9.937 -3.598 1.00 0.00 N ATOM 291 CA LYS A 22 9.238 11.051 -3.071 1.00 0.00 C ATOM 292 C LYS A 22 7.753 10.706 -3.033 1.00 0.00 C ATOM 293 O LYS A 22 7.145 10.421 -4.065 1.00 0.00 O ATOM 294 CB LYS A 22 9.460 12.304 -3.922 1.00 0.00 C ATOM 295 CG LYS A 22 10.672 13.117 -3.502 1.00 0.00 C ATOM 296 CD LYS A 22 11.321 13.806 -4.691 1.00 0.00 C ATOM 297 CE LYS A 22 12.732 14.271 -4.364 1.00 0.00 C ATOM 298 NZ LYS A 22 12.749 15.664 -3.838 1.00 0.00 N ATOM 0 H LYS A 22 10.450 10.117 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 22 9.573 11.247 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.574 12.009 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.572 12.934 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.373 13.864 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.398 12.465 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.350 13.121 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.716 14.661 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.174 13.600 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.350 14.214 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.728 15.944 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.350 16.309 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.180 15.714 -2.969 1.00 0.00 H new ATOM 312 N VAL A 23 7.174 10.736 -1.837 1.00 0.00 N ATOM 313 CA VAL A 23 5.759 10.428 -1.665 1.00 0.00 C ATOM 314 C VAL A 23 4.989 11.645 -1.163 1.00 0.00 C ATOM 315 O VAL A 23 5.582 12.632 -0.725 1.00 0.00 O ATOM 316 CB VAL A 23 5.553 9.262 -0.680 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.124 7.973 -1.252 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.185 9.584 0.665 1.00 0.00 C ATOM 0 H VAL A 23 7.663 10.970 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 23 5.377 10.138 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 23 4.483 9.121 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.969 7.160 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.621 7.737 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.191 8.097 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.030 8.750 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.254 9.752 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.725 10.482 1.078 1.00 0.00 H new ATOM 328 N THR A 24 3.664 11.568 -1.228 1.00 0.00 N ATOM 329 CA THR A 24 2.812 12.663 -0.780 1.00 0.00 C ATOM 330 C THR A 24 1.705 12.158 0.138 1.00 0.00 C ATOM 331 O THR A 24 0.857 11.368 -0.273 1.00 0.00 O ATOM 332 CB THR A 24 2.177 13.404 -1.972 1.00 0.00 C ATOM 333 OG1 THR A 24 3.200 13.949 -2.812 1.00 0.00 O ATOM 334 CG2 THR A 24 1.261 14.519 -1.490 1.00 0.00 C ATOM 0 H THR A 24 3.157 10.759 -1.587 1.00 0.00 H new ATOM 0 HA THR A 24 3.449 13.355 -0.229 1.00 0.00 H new ATOM 0 HB THR A 24 1.584 12.689 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.788 14.417 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.824 15.028 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.466 14.097 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.836 15.232 -0.899 1.00 0.00 H new ATOM 342 N ASN A 25 1.719 12.621 1.384 1.00 0.00 N ATOM 343 CA ASN A 25 0.715 12.216 2.361 1.00 0.00 C ATOM 344 C ASN A 25 -0.682 12.630 1.909 1.00 0.00 C ATOM 345 O ASN A 25 -1.034 13.810 1.944 1.00 0.00 O ATOM 346 CB ASN A 25 1.025 12.832 3.727 1.00 0.00 C ATOM 347 CG ASN A 25 -0.154 12.754 4.677 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.511 13.739 5.323 1.00 0.00 O ATOM 349 ND2 ASN A 25 -0.764 11.578 4.767 1.00 0.00 N ATOM 0 H ASN A 25 2.414 13.277 1.741 1.00 0.00 H new ATOM 0 HA ASN A 25 0.743 11.130 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.879 12.318 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.314 13.875 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.563 11.464 5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.434 10.788 4.212 1.00 0.00 H new ATOM 356 N VAL A 26 -1.475 11.651 1.486 1.00 0.00 N ATOM 357 CA VAL A 26 -2.835 11.913 1.028 1.00 0.00 C ATOM 358 C VAL A 26 -3.853 11.151 1.869 1.00 0.00 C ATOM 359 O VAL A 26 -3.502 10.224 2.599 1.00 0.00 O ATOM 360 CB VAL A 26 -3.014 11.525 -0.451 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.065 12.324 -1.332 1.00 0.00 C ATOM 362 CG2 VAL A 26 -2.798 10.031 -0.640 1.00 0.00 C ATOM 0 H VAL A 26 -1.200 10.669 1.451 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.005 12.984 1.137 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.035 11.762 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.206 12.036 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.272 13.388 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.036 12.121 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.928 9.775 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.789 9.767 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.522 9.480 -0.040 1.00 0.00 H new ATOM 372 N ASP A 27 -5.116 11.549 1.761 1.00 0.00 N ATOM 373 CA ASP A 27 -6.188 10.902 2.511 1.00 0.00 C ATOM 374 C ASP A 27 -6.858 9.817 1.674 1.00 0.00 C ATOM 375 O ASP A 27 -6.412 9.507 0.569 1.00 0.00 O ATOM 376 CB ASP A 27 -7.225 11.936 2.953 1.00 0.00 C ATOM 377 CG ASP A 27 -8.331 12.120 1.932 1.00 0.00 C ATOM 378 OD1 ASP A 27 -8.016 12.215 0.728 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.511 12.169 2.338 1.00 0.00 O ATOM 0 H ASP A 27 -5.423 12.316 1.162 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.751 10.436 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.660 11.627 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.730 12.892 3.125 1.00 0.00 H new ATOM 384 N ASP A 28 -7.930 9.242 2.208 1.00 0.00 N ATOM 385 CA ASP A 28 -8.662 8.191 1.511 1.00 0.00 C ATOM 386 C ASP A 28 -9.040 8.635 0.102 1.00 0.00 C ATOM 387 O ASP A 28 -8.819 7.910 -0.868 1.00 0.00 O ATOM 388 CB ASP A 28 -9.919 7.811 2.294 1.00 0.00 C ATOM 389 CG ASP A 28 -10.517 6.498 1.827 1.00 0.00 C ATOM 390 OD1 ASP A 28 -9.890 5.444 2.063 1.00 0.00 O ATOM 391 OD2 ASP A 28 -11.610 6.524 1.224 1.00 0.00 O ATOM 0 H ASP A 28 -8.312 9.486 3.122 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.013 7.319 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.675 7.739 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.661 8.602 2.190 1.00 0.00 H new ATOM 396 N GLU A 29 -9.611 9.831 -0.003 1.00 0.00 N ATOM 397 CA GLU A 29 -10.022 10.370 -1.294 1.00 0.00 C ATOM 398 C GLU A 29 -8.828 10.491 -2.238 1.00 0.00 C ATOM 399 O GLU A 29 -8.898 10.092 -3.399 1.00 0.00 O ATOM 400 CB GLU A 29 -10.684 11.738 -1.114 1.00 0.00 C ATOM 401 CG GLU A 29 -11.780 11.749 -0.061 1.00 0.00 C ATOM 402 CD GLU A 29 -12.845 12.792 -0.339 1.00 0.00 C ATOM 403 OE1 GLU A 29 -12.529 13.997 -0.259 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.994 12.403 -0.636 1.00 0.00 O ATOM 0 H GLU A 29 -9.799 10.445 0.790 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.743 9.681 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.922 12.468 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.104 12.057 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.245 10.764 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.337 11.939 0.917 1.00 0.00 H new ATOM 411 N GLY A 30 -7.733 11.047 -1.728 1.00 0.00 N ATOM 412 CA GLY A 30 -6.540 11.212 -2.538 1.00 0.00 C ATOM 413 C GLY A 30 -5.969 12.613 -2.450 1.00 0.00 C ATOM 414 O GLY A 30 -4.976 12.929 -3.105 1.00 0.00 O ATOM 0 H GLY A 30 -7.651 11.386 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.785 10.494 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.776 10.984 -3.577 1.00 0.00 H new ATOM 418 N VAL A 31 -6.598 13.457 -1.639 1.00 0.00 N ATOM 419 CA VAL A 31 -6.147 14.833 -1.468 1.00 0.00 C ATOM 420 C VAL A 31 -4.676 14.884 -1.071 1.00 0.00 C ATOM 421 O VAL A 31 -4.148 13.938 -0.489 1.00 0.00 O ATOM 422 CB VAL A 31 -6.981 15.569 -0.402 1.00 0.00 C ATOM 423 CG1 VAL A 31 -6.832 17.075 -0.553 1.00 0.00 C ATOM 424 CG2 VAL A 31 -8.443 15.157 -0.492 1.00 0.00 C ATOM 0 H VAL A 31 -7.422 13.212 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.278 15.331 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.608 15.289 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.428 17.578 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.784 17.351 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.177 17.377 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.018 15.686 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.831 15.406 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.529 14.083 -0.329 1.00 0.00 H new ATOM 434 N GLU A 32 -4.021 15.995 -1.390 1.00 0.00 N ATOM 435 CA GLU A 32 -2.610 16.169 -1.067 1.00 0.00 C ATOM 436 C GLU A 32 -2.436 17.096 0.132 1.00 0.00 C ATOM 437 O GLU A 32 -2.631 18.308 0.028 1.00 0.00 O ATOM 438 CB GLU A 32 -1.853 16.730 -2.273 1.00 0.00 C ATOM 439 CG GLU A 32 -1.955 15.860 -3.514 1.00 0.00 C ATOM 440 CD GLU A 32 -1.070 16.349 -4.644 1.00 0.00 C ATOM 441 OE1 GLU A 32 -1.291 17.480 -5.125 1.00 0.00 O ATOM 442 OE2 GLU A 32 -0.155 15.600 -5.047 1.00 0.00 O ATOM 0 H GLU A 32 -4.445 16.788 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.200 15.192 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.238 17.723 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.802 16.849 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.680 14.837 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.991 15.837 -3.853 1.00 0.00 H new ATOM 449 N LEU A 33 -2.070 16.519 1.271 1.00 0.00 N ATOM 450 CA LEU A 33 -1.870 17.292 2.492 1.00 0.00 C ATOM 451 C LEU A 33 -0.451 17.846 2.559 1.00 0.00 C ATOM 452 O LEU A 33 -0.246 19.059 2.544 1.00 0.00 O ATOM 453 CB LEU A 33 -2.151 16.425 3.720 1.00 0.00 C ATOM 454 CG LEU A 33 -3.444 15.610 3.685 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.523 14.683 4.888 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.654 16.532 3.640 1.00 0.00 C ATOM 0 H LEU A 33 -1.906 15.518 1.375 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.567 18.130 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.316 15.738 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.176 17.071 4.598 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.443 15.000 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.450 14.111 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.674 14.000 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.502 15.273 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.566 15.935 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.660 17.168 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.604 17.155 2.747 1.00 0.00 H new ATOM 468 N GLY A 34 0.527 16.948 2.633 1.00 0.00 N ATOM 469 CA GLY A 34 1.915 17.366 2.700 1.00 0.00 C ATOM 470 C GLY A 34 2.823 16.498 1.852 1.00 0.00 C ATOM 471 O GLY A 34 2.398 15.468 1.329 1.00 0.00 O ATOM 0 H GLY A 34 0.383 15.938 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.996 18.402 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.251 17.334 3.736 1.00 0.00 H new ATOM 475 N SER A 35 4.078 16.914 1.715 1.00 0.00 N ATOM 476 CA SER A 35 5.048 16.170 0.920 1.00 0.00 C ATOM 477 C SER A 35 6.054 15.457 1.819 1.00 0.00 C ATOM 478 O SER A 35 6.341 15.907 2.927 1.00 0.00 O ATOM 479 CB SER A 35 5.781 17.109 -0.040 1.00 0.00 C ATOM 480 OG SER A 35 6.618 18.008 0.666 1.00 0.00 O ATOM 0 H SER A 35 4.447 17.762 2.144 1.00 0.00 H new ATOM 0 HA SER A 35 4.508 15.420 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.378 16.525 -0.740 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.056 17.669 -0.630 1.00 0.00 H new ATOM 0 HG SER A 35 7.076 18.596 0.030 1.00 0.00 H new ATOM 486 N GLY A 36 6.586 14.340 1.332 1.00 0.00 N ATOM 487 CA GLY A 36 7.554 13.582 2.103 1.00 0.00 C ATOM 488 C GLY A 36 8.350 12.617 1.246 1.00 0.00 C ATOM 489 O GLY A 36 7.963 12.312 0.118 1.00 0.00 O ATOM 0 H GLY A 36 6.364 13.947 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.237 14.270 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.036 13.027 2.885 1.00 0.00 H new ATOM 493 N VAL A 37 9.467 12.135 1.782 1.00 0.00 N ATOM 494 CA VAL A 37 10.319 11.199 1.059 1.00 0.00 C ATOM 495 C VAL A 37 10.513 9.909 1.849 1.00 0.00 C ATOM 496 O VAL A 37 11.005 9.928 2.977 1.00 0.00 O ATOM 497 CB VAL A 37 11.698 11.815 0.756 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.563 10.833 -0.020 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.542 13.121 -0.008 1.00 0.00 C ATOM 0 H VAL A 37 9.803 12.377 2.714 1.00 0.00 H new ATOM 0 HA VAL A 37 9.815 10.973 0.119 1.00 0.00 H new ATOM 0 HB VAL A 37 12.196 12.031 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.533 11.286 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.703 9.927 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.074 10.582 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.526 13.542 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.024 12.933 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.964 13.825 0.590 1.00 0.00 H new ATOM 509 N MET A 38 10.124 8.790 1.248 1.00 0.00 N ATOM 510 CA MET A 38 10.257 7.489 1.895 1.00 0.00 C ATOM 511 C MET A 38 11.586 6.834 1.531 1.00 0.00 C ATOM 512 O MET A 38 11.947 6.753 0.358 1.00 0.00 O ATOM 513 CB MET A 38 9.098 6.575 1.494 1.00 0.00 C ATOM 514 CG MET A 38 9.018 5.299 2.315 1.00 0.00 C ATOM 515 SD MET A 38 8.155 5.533 3.881 1.00 0.00 S ATOM 516 CE MET A 38 6.449 5.499 3.336 1.00 0.00 C ATOM 0 H MET A 38 9.714 8.757 0.314 1.00 0.00 H new ATOM 0 HA MET A 38 10.232 7.643 2.974 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.161 7.123 1.597 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.200 6.314 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.508 4.530 1.735 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.026 4.934 2.511 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.804 5.857 4.138 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.333 6.141 2.463 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.171 4.478 3.075 1.00 0.00 H new ATOM 526 N GLU A 39 12.309 6.370 2.546 1.00 0.00 N ATOM 527 CA GLU A 39 13.598 5.723 2.331 1.00 0.00 C ATOM 528 C GLU A 39 13.527 4.239 2.679 1.00 0.00 C ATOM 529 O GLU A 39 13.031 3.862 3.742 1.00 0.00 O ATOM 530 CB GLU A 39 14.681 6.404 3.170 1.00 0.00 C ATOM 531 CG GLU A 39 16.095 6.012 2.774 1.00 0.00 C ATOM 532 CD GLU A 39 17.149 6.870 3.446 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.855 7.442 4.516 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.268 6.969 2.901 1.00 0.00 O ATOM 0 H GLU A 39 12.024 6.430 3.524 1.00 0.00 H new ATOM 0 HA GLU A 39 13.852 5.819 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.574 7.485 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.525 6.156 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.264 4.967 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.201 6.094 1.692 1.00 0.00 H new ATOM 541 N LEU A 40 14.027 3.401 1.778 1.00 0.00 N ATOM 542 CA LEU A 40 14.021 1.958 1.988 1.00 0.00 C ATOM 543 C LEU A 40 15.381 1.473 2.479 1.00 0.00 C ATOM 544 O LEU A 40 16.271 1.174 1.682 1.00 0.00 O ATOM 545 CB LEU A 40 13.646 1.235 0.693 1.00 0.00 C ATOM 546 CG LEU A 40 12.150 1.111 0.402 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.583 2.445 -0.057 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.897 0.034 -0.643 1.00 0.00 C ATOM 0 H LEU A 40 14.442 3.696 0.894 1.00 0.00 H new ATOM 0 HA LEU A 40 13.277 1.731 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.116 1.758 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.074 0.233 0.723 1.00 0.00 H new ATOM 0 HG LEU A 40 11.643 0.822 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.517 2.337 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.730 3.191 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.094 2.765 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.827 -0.040 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.416 0.293 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.266 -0.923 -0.275 1.00 0.00 H new ATOM 560 N THR A 41 15.536 1.396 3.797 1.00 0.00 N ATOM 561 CA THR A 41 16.787 0.947 4.395 1.00 0.00 C ATOM 562 C THR A 41 16.607 -0.387 5.110 1.00 0.00 C ATOM 563 O THR A 41 15.640 -0.581 5.845 1.00 0.00 O ATOM 564 CB THR A 41 17.336 1.983 5.395 1.00 0.00 C ATOM 565 OG1 THR A 41 16.374 2.223 6.428 1.00 0.00 O ATOM 566 CG2 THR A 41 17.670 3.289 4.691 1.00 0.00 C ATOM 0 H THR A 41 14.810 1.639 4.471 1.00 0.00 H new ATOM 0 HA THR A 41 17.501 0.826 3.580 1.00 0.00 H new ATOM 0 HB THR A 41 18.249 1.583 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.522 1.804 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.056 4.005 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.424 3.107 3.925 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.770 3.692 4.226 1.00 0.00 H new ATOM 574 N GLN A 42 17.545 -1.303 4.889 1.00 0.00 N ATOM 575 CA GLN A 42 17.488 -2.619 5.513 1.00 0.00 C ATOM 576 C GLN A 42 16.894 -2.532 6.915 1.00 0.00 C ATOM 577 O GLN A 42 16.192 -3.439 7.360 1.00 0.00 O ATOM 578 CB GLN A 42 18.886 -3.238 5.576 1.00 0.00 C ATOM 579 CG GLN A 42 19.438 -3.633 4.216 1.00 0.00 C ATOM 580 CD GLN A 42 18.987 -5.014 3.783 1.00 0.00 C ATOM 581 OE1 GLN A 42 17.811 -5.361 3.897 1.00 0.00 O ATOM 582 NE2 GLN A 42 19.923 -5.812 3.281 1.00 0.00 N ATOM 0 H GLN A 42 18.353 -1.158 4.283 1.00 0.00 H new ATOM 0 HA GLN A 42 16.844 -3.254 4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.568 -2.528 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.856 -4.119 6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 42 19.121 -2.902 3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.527 -3.604 4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.886 -5.484 3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.679 -6.753 2.972 1.00 0.00 H new ATOM 591 N SER A 43 17.182 -1.434 7.607 1.00 0.00 N ATOM 592 CA SER A 43 16.680 -1.229 8.961 1.00 0.00 C ATOM 593 C SER A 43 15.156 -1.158 8.970 1.00 0.00 C ATOM 594 O SER A 43 14.486 -2.037 9.510 1.00 0.00 O ATOM 595 CB SER A 43 17.266 0.052 9.557 1.00 0.00 C ATOM 596 OG SER A 43 16.966 0.155 10.938 1.00 0.00 O ATOM 0 H SER A 43 17.760 -0.673 7.252 1.00 0.00 H new ATOM 0 HA SER A 43 16.990 -2.078 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.347 0.062 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.867 0.918 9.029 1.00 0.00 H new ATOM 0 HG SER A 43 17.353 0.981 11.296 1.00 0.00 H new ATOM 602 N GLU A 44 14.616 -0.102 8.368 1.00 0.00 N ATOM 603 CA GLU A 44 13.171 0.085 8.307 1.00 0.00 C ATOM 604 C GLU A 44 12.812 1.255 7.396 1.00 0.00 C ATOM 605 O GLU A 44 13.690 1.914 6.836 1.00 0.00 O ATOM 606 CB GLU A 44 12.607 0.325 9.709 1.00 0.00 C ATOM 607 CG GLU A 44 13.062 1.634 10.333 1.00 0.00 C ATOM 608 CD GLU A 44 13.127 1.567 11.846 1.00 0.00 C ATOM 609 OE1 GLU A 44 13.505 0.502 12.378 1.00 0.00 O ATOM 610 OE2 GLU A 44 12.800 2.580 12.499 1.00 0.00 O ATOM 0 H GLU A 44 15.157 0.636 7.916 1.00 0.00 H new ATOM 0 HA GLU A 44 12.730 -0.823 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.518 0.315 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.905 -0.499 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.045 1.896 9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.379 2.430 10.037 1.00 0.00 H new ATOM 617 N LEU A 45 11.516 1.507 7.250 1.00 0.00 N ATOM 618 CA LEU A 45 11.039 2.597 6.405 1.00 0.00 C ATOM 619 C LEU A 45 10.964 3.902 7.191 1.00 0.00 C ATOM 620 O LEU A 45 10.406 3.948 8.288 1.00 0.00 O ATOM 621 CB LEU A 45 9.664 2.257 5.828 1.00 0.00 C ATOM 622 CG LEU A 45 9.663 1.466 4.519 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.296 0.847 4.271 1.00 0.00 C ATOM 624 CD2 LEU A 45 10.065 2.360 3.355 1.00 0.00 C ATOM 0 H LEU A 45 10.777 0.972 7.705 1.00 0.00 H new ATOM 0 HA LEU A 45 11.748 2.727 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.110 1.687 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.119 3.187 5.668 1.00 0.00 H new ATOM 0 HG LEU A 45 10.394 0.662 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.314 0.288 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.047 0.174 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.546 1.635 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.059 1.780 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.359 3.186 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.066 2.755 3.529 1.00 0.00 H new ATOM 636 N VAL A 46 11.529 4.963 6.622 1.00 0.00 N ATOM 637 CA VAL A 46 11.523 6.270 7.268 1.00 0.00 C ATOM 638 C VAL A 46 11.138 7.368 6.283 1.00 0.00 C ATOM 639 O VAL A 46 11.522 7.331 5.113 1.00 0.00 O ATOM 640 CB VAL A 46 12.899 6.601 7.876 1.00 0.00 C ATOM 641 CG1 VAL A 46 12.888 7.991 8.496 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.292 5.553 8.906 1.00 0.00 C ATOM 0 H VAL A 46 11.996 4.943 5.716 1.00 0.00 H new ATOM 0 HA VAL A 46 10.782 6.226 8.066 1.00 0.00 H new ATOM 0 HB VAL A 46 13.642 6.590 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.868 8.208 8.921 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.653 8.729 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.135 8.033 9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.267 5.803 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.549 5.530 9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.342 4.574 8.428 1.00 0.00 H new ATOM 652 N LEU A 47 10.377 8.345 6.763 1.00 0.00 N ATOM 653 CA LEU A 47 9.939 9.456 5.924 1.00 0.00 C ATOM 654 C LEU A 47 10.740 10.717 6.230 1.00 0.00 C ATOM 655 O LEU A 47 11.430 10.796 7.246 1.00 0.00 O ATOM 656 CB LEU A 47 8.447 9.722 6.135 1.00 0.00 C ATOM 657 CG LEU A 47 7.489 8.730 5.474 1.00 0.00 C ATOM 658 CD1 LEU A 47 6.066 8.957 5.962 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.560 8.849 3.958 1.00 0.00 C ATOM 0 H LEU A 47 10.050 8.391 7.728 1.00 0.00 H new ATOM 0 HA LEU A 47 10.110 9.183 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.248 9.730 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.220 10.720 5.761 1.00 0.00 H new ATOM 0 HG LEU A 47 7.791 7.721 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.398 8.242 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.026 8.821 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.753 9.971 5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.872 8.136 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.284 9.860 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.575 8.636 3.624 1.00 0.00 H new ATOM 671 N HIS A 48 10.641 11.704 5.344 1.00 0.00 N ATOM 672 CA HIS A 48 11.355 12.964 5.521 1.00 0.00 C ATOM 673 C HIS A 48 10.432 14.151 5.264 1.00 0.00 C ATOM 674 O HIS A 48 10.043 14.414 4.125 1.00 0.00 O ATOM 675 CB HIS A 48 12.560 13.028 4.582 1.00 0.00 C ATOM 676 CG HIS A 48 13.628 12.030 4.909 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.422 12.119 6.033 1.00 0.00 N ATOM 678 CD2 HIS A 48 14.029 10.916 4.254 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.267 11.104 6.053 1.00 0.00 C ATOM 680 NE2 HIS A 48 15.049 10.358 4.985 1.00 0.00 N ATOM 0 H HIS A 48 10.074 11.655 4.497 1.00 0.00 H new ATOM 0 HA HIS A 48 11.705 13.014 6.552 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.222 12.864 3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.987 14.030 4.620 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.622 10.536 3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.010 10.916 6.814 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.556 9.506 4.743 1.00 0.00 H new ATOM 689 N LEU A 49 10.084 14.865 6.329 1.00 0.00 N ATOM 690 CA LEU A 49 9.206 16.024 6.220 1.00 0.00 C ATOM 691 C LEU A 49 9.837 17.249 6.874 1.00 0.00 C ATOM 692 O LEU A 49 10.928 17.171 7.439 1.00 0.00 O ATOM 693 CB LEU A 49 7.852 15.727 6.868 1.00 0.00 C ATOM 694 CG LEU A 49 7.306 14.313 6.663 1.00 0.00 C ATOM 695 CD1 LEU A 49 7.782 13.391 7.776 1.00 0.00 C ATOM 696 CD2 LEU A 49 5.786 14.333 6.597 1.00 0.00 C ATOM 0 H LEU A 49 10.397 14.661 7.278 1.00 0.00 H new ATOM 0 HA LEU A 49 9.056 16.236 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.936 15.911 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.122 16.437 6.479 1.00 0.00 H new ATOM 0 HG LEU A 49 7.685 13.931 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.384 12.389 7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.871 13.353 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.432 13.769 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.415 13.319 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.387 14.735 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.466 14.960 5.765 1.00 0.00 H new ATOM 789 N ALA A 54 9.843 13.163 11.871 1.00 0.00 N ATOM 790 CA ALA A 54 10.261 11.998 11.101 1.00 0.00 C ATOM 791 C ALA A 54 9.474 10.757 11.512 1.00 0.00 C ATOM 792 O ALA A 54 9.525 10.332 12.666 1.00 0.00 O ATOM 793 CB ALA A 54 11.754 11.759 11.272 1.00 0.00 C ATOM 0 HA ALA A 54 10.054 12.196 10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.052 10.886 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.305 12.632 10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.977 11.587 12.325 1.00 0.00 H new ATOM 799 N VAL A 55 8.748 10.181 10.560 1.00 0.00 N ATOM 800 CA VAL A 55 7.951 8.989 10.823 1.00 0.00 C ATOM 801 C VAL A 55 8.648 7.736 10.305 1.00 0.00 C ATOM 802 O VAL A 55 9.150 7.713 9.181 1.00 0.00 O ATOM 803 CB VAL A 55 6.556 9.092 10.177 1.00 0.00 C ATOM 804 CG1 VAL A 55 5.702 7.891 10.555 1.00 0.00 C ATOM 805 CG2 VAL A 55 5.876 10.390 10.583 1.00 0.00 C ATOM 0 H VAL A 55 8.695 10.520 9.600 1.00 0.00 H new ATOM 0 HA VAL A 55 7.838 8.917 11.905 1.00 0.00 H new ATOM 0 HB VAL A 55 6.676 9.095 9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.721 7.981 10.090 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.185 6.977 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.588 7.852 11.638 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.892 10.446 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.767 10.420 11.667 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.481 11.236 10.256 1.00 0.00 H new ATOM 815 N ARG A 56 8.675 6.696 11.132 1.00 0.00 N ATOM 816 CA ARG A 56 9.312 5.439 10.757 1.00 0.00 C ATOM 817 C ARG A 56 8.327 4.278 10.860 1.00 0.00 C ATOM 818 O ARG A 56 7.226 4.431 11.390 1.00 0.00 O ATOM 819 CB ARG A 56 10.526 5.172 11.649 1.00 0.00 C ATOM 820 CG ARG A 56 11.311 6.425 12.000 1.00 0.00 C ATOM 821 CD ARG A 56 11.968 6.307 13.366 1.00 0.00 C ATOM 822 NE ARG A 56 11.129 6.858 14.426 1.00 0.00 N ATOM 823 CZ ARG A 56 11.173 8.128 14.814 1.00 0.00 C ATOM 824 NH1 ARG A 56 12.012 8.973 14.230 1.00 0.00 N ATOM 825 NH2 ARG A 56 10.378 8.555 15.786 1.00 0.00 N ATOM 0 H ARG A 56 8.264 6.699 12.065 1.00 0.00 H new ATOM 0 HA ARG A 56 9.642 5.523 9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.192 4.693 12.569 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.188 4.468 11.146 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.074 6.602 11.242 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.645 7.288 11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.178 5.259 13.578 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.926 6.828 13.354 1.00 0.00 H new ATOM 0 HE ARG A 56 10.473 6.233 14.895 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.625 8.648 13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.045 9.948 14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.731 7.908 16.237 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.413 9.530 16.082 1.00 0.00 H new ATOM 839 N TRP A 57 8.730 3.120 10.351 1.00 0.00 N ATOM 840 CA TRP A 57 7.882 1.934 10.385 1.00 0.00 C ATOM 841 C TRP A 57 8.721 0.663 10.318 1.00 0.00 C ATOM 842 O TRP A 57 9.355 0.361 9.307 1.00 0.00 O ATOM 843 CB TRP A 57 6.884 1.962 9.226 1.00 0.00 C ATOM 844 CG TRP A 57 5.751 2.920 9.441 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.694 2.762 10.291 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.562 4.182 8.792 1.00 0.00 C ATOM 847 NE1 TRP A 57 3.859 3.850 10.210 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.370 4.736 9.299 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.285 4.900 7.836 1.00 0.00 C ATOM 850 CZ2 TRP A 57 3.886 5.972 8.878 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.803 6.126 7.419 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.614 6.653 7.940 1.00 0.00 C ATOM 0 H TRP A 57 9.638 2.977 9.910 1.00 0.00 H new ATOM 0 HA TRP A 57 7.334 1.937 11.327 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.409 2.232 8.310 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.480 0.960 9.079 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.537 1.907 10.933 1.00 0.00 H new ATOM 0 HE1 TRP A 57 2.998 3.977 10.742 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.204 4.504 7.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.969 6.379 9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.353 6.688 6.678 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.265 7.615 7.595 1.00 0.00 H new ATOM 863 N PRO A 58 8.727 -0.102 11.420 1.00 0.00 N ATOM 864 CA PRO A 58 9.484 -1.354 11.511 1.00 0.00 C ATOM 865 C PRO A 58 8.895 -2.453 10.633 1.00 0.00 C ATOM 866 O PRO A 58 7.785 -2.927 10.875 1.00 0.00 O ATOM 867 CB PRO A 58 9.368 -1.732 12.990 1.00 0.00 C ATOM 868 CG PRO A 58 8.111 -1.079 13.450 1.00 0.00 C ATOM 869 CD PRO A 58 7.994 0.196 12.662 1.00 0.00 C ATOM 0 HA PRO A 58 10.511 -1.235 11.166 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.323 -2.813 13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.229 -1.378 13.558 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.250 -1.725 13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.147 -0.874 14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.953 0.451 12.463 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.433 1.040 13.195 1.00 0.00 H new ATOM 877 N TYR A 59 9.645 -2.853 9.612 1.00 0.00 N ATOM 878 CA TYR A 59 9.196 -3.894 8.696 1.00 0.00 C ATOM 879 C TYR A 59 8.374 -4.949 9.431 1.00 0.00 C ATOM 880 O TYR A 59 7.449 -5.535 8.868 1.00 0.00 O ATOM 881 CB TYR A 59 10.395 -4.552 8.011 1.00 0.00 C ATOM 882 CG TYR A 59 11.145 -3.626 7.081 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.467 -2.827 6.168 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.532 -3.549 7.115 1.00 0.00 C ATOM 885 CE1 TYR A 59 11.148 -1.980 5.316 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.222 -2.703 6.268 1.00 0.00 C ATOM 887 CZ TYR A 59 12.525 -1.921 5.370 1.00 0.00 C ATOM 888 OH TYR A 59 13.207 -1.078 4.523 1.00 0.00 O ATOM 0 H TYR A 59 10.567 -2.472 9.398 1.00 0.00 H new ATOM 0 HA TYR A 59 8.564 -3.429 7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.081 -4.921 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.050 -5.418 7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.389 -2.869 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.080 -4.161 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.605 -1.367 4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.300 -2.654 6.309 1.00 0.00 H new ATOM 0 HH TYR A 59 14.076 -0.853 4.915 1.00 0.00 H new ATOM 898 N LEU A 60 8.718 -5.184 10.692 1.00 0.00 N ATOM 899 CA LEU A 60 8.013 -6.168 11.507 1.00 0.00 C ATOM 900 C LEU A 60 6.515 -5.882 11.528 1.00 0.00 C ATOM 901 O LEU A 60 5.711 -6.700 11.078 1.00 0.00 O ATOM 902 CB LEU A 60 8.565 -6.167 12.933 1.00 0.00 C ATOM 903 CG LEU A 60 8.526 -7.507 13.668 1.00 0.00 C ATOM 904 CD1 LEU A 60 9.322 -7.429 14.962 1.00 0.00 C ATOM 905 CD2 LEU A 60 7.089 -7.921 13.948 1.00 0.00 C ATOM 0 H LEU A 60 9.481 -4.707 11.173 1.00 0.00 H new ATOM 0 HA LEU A 60 8.170 -7.152 11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.599 -5.823 12.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.004 -5.438 13.518 1.00 0.00 H new ATOM 0 HG LEU A 60 8.982 -8.263 13.029 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.283 -8.392 15.472 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.359 -7.179 14.737 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.895 -6.660 15.606 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.081 -8.877 14.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.606 -7.164 14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.548 -8.019 13.007 1.00 0.00 H new ATOM 917 N CYS A 61 6.147 -4.718 12.052 1.00 0.00 N ATOM 918 CA CYS A 61 4.745 -4.324 12.131 1.00 0.00 C ATOM 919 C CYS A 61 4.092 -4.359 10.753 1.00 0.00 C ATOM 920 O CYS A 61 2.942 -4.776 10.609 1.00 0.00 O ATOM 921 CB CYS A 61 4.620 -2.924 12.733 1.00 0.00 C ATOM 922 SG CYS A 61 4.800 -1.585 11.531 1.00 0.00 S ATOM 0 H CYS A 61 6.800 -4.031 12.428 1.00 0.00 H new ATOM 0 HA CYS A 61 4.229 -5.036 12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.648 -2.834 13.218 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.376 -2.805 13.509 1.00 0.00 H new ATOM 0 HG CYS A 61 5.944 -1.698 10.924 1.00 0.00 H new ATOM 928 N LEU A 62 4.832 -3.917 9.742 1.00 0.00 N ATOM 929 CA LEU A 62 4.325 -3.895 8.375 1.00 0.00 C ATOM 930 C LEU A 62 3.941 -5.298 7.914 1.00 0.00 C ATOM 931 O LEU A 62 4.698 -5.957 7.202 1.00 0.00 O ATOM 932 CB LEU A 62 5.374 -3.305 7.430 1.00 0.00 C ATOM 933 CG LEU A 62 5.630 -1.804 7.565 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.834 -1.391 6.733 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.397 -1.014 7.151 1.00 0.00 C ATOM 0 H LEU A 62 5.785 -3.569 9.844 1.00 0.00 H new ATOM 0 HA LEU A 62 3.433 -3.269 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.316 -3.830 7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.067 -3.510 6.405 1.00 0.00 H new ATOM 0 HG LEU A 62 5.844 -1.584 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.001 -0.319 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.716 -1.932 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.649 -1.625 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.597 0.053 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.152 -1.239 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.558 -1.289 7.790 1.00 0.00 H new ATOM 947 N ARG A 63 2.759 -5.746 8.325 1.00 0.00 N ATOM 948 CA ARG A 63 2.273 -7.070 7.953 1.00 0.00 C ATOM 949 C ARG A 63 1.641 -7.048 6.565 1.00 0.00 C ATOM 950 O ARG A 63 2.027 -7.817 5.684 1.00 0.00 O ATOM 951 CB ARG A 63 1.256 -7.570 8.980 1.00 0.00 C ATOM 952 CG ARG A 63 1.833 -7.740 10.376 1.00 0.00 C ATOM 953 CD ARG A 63 0.743 -7.713 11.436 1.00 0.00 C ATOM 954 NE ARG A 63 1.283 -7.889 12.782 1.00 0.00 N ATOM 955 CZ ARG A 63 0.541 -8.211 13.835 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.765 -8.391 13.700 1.00 0.00 N ATOM 957 NH2 ARG A 63 1.106 -8.354 15.028 1.00 0.00 N ATOM 0 H ARG A 63 2.121 -5.212 8.915 1.00 0.00 H new ATOM 0 HA ARG A 63 3.125 -7.750 7.934 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.422 -6.869 9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.853 -8.525 8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.376 -8.684 10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.553 -6.946 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.208 -6.765 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.018 -8.501 11.231 1.00 0.00 H new ATOM 0 HE ARG A 63 2.285 -7.757 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.203 -8.282 12.785 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.332 -8.638 14.511 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.111 -8.216 15.136 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.535 -8.601 15.836 1.00 0.00 H new ATOM 971 N ARG A 64 0.669 -6.162 6.377 1.00 0.00 N ATOM 972 CA ARG A 64 -0.018 -6.041 5.097 1.00 0.00 C ATOM 973 C ARG A 64 0.445 -4.794 4.348 1.00 0.00 C ATOM 974 O ARG A 64 0.270 -3.672 4.822 1.00 0.00 O ATOM 975 CB ARG A 64 -1.532 -5.989 5.309 1.00 0.00 C ATOM 976 CG ARG A 64 -2.315 -5.697 4.039 1.00 0.00 C ATOM 977 CD ARG A 64 -3.803 -5.944 4.233 1.00 0.00 C ATOM 978 NE ARG A 64 -4.386 -5.033 5.215 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.492 -5.301 5.900 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.131 -6.447 5.712 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.960 -4.421 6.776 1.00 0.00 N ATOM 0 H ARG A 64 0.339 -5.517 7.095 1.00 0.00 H new ATOM 0 HA ARG A 64 0.228 -6.917 4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.866 -6.942 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.760 -5.224 6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.153 -4.661 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.943 -6.324 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.317 -5.826 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.961 -6.973 4.555 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.918 -4.142 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.774 -7.126 5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.980 -6.650 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.470 -3.538 6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.809 -4.627 7.302 1.00 0.00 H new ATOM 995 N TYR A 65 1.036 -5.000 3.176 1.00 0.00 N ATOM 996 CA TYR A 65 1.526 -3.894 2.363 1.00 0.00 C ATOM 997 C TYR A 65 1.206 -4.118 0.888 1.00 0.00 C ATOM 998 O TYR A 65 1.665 -5.084 0.281 1.00 0.00 O ATOM 999 CB TYR A 65 3.035 -3.726 2.549 1.00 0.00 C ATOM 1000 CG TYR A 65 3.823 -4.986 2.268 1.00 0.00 C ATOM 1001 CD1 TYR A 65 3.899 -6.005 3.209 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.493 -5.156 1.063 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.619 -7.157 2.958 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.213 -6.305 0.802 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.273 -7.303 1.753 1.00 0.00 C ATOM 1006 OH TYR A 65 5.991 -8.449 1.498 1.00 0.00 O ATOM 0 H TYR A 65 1.187 -5.923 2.768 1.00 0.00 H new ATOM 0 HA TYR A 65 1.023 -2.985 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.388 -2.932 1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.233 -3.404 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.386 -5.895 4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.450 -4.376 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.669 -7.939 3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.726 -6.422 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 65 5.377 -9.170 1.247 1.00 0.00 H new ATOM 1016 N GLY A 66 0.414 -3.215 0.317 1.00 0.00 N ATOM 1017 CA GLY A 66 0.045 -3.331 -1.082 1.00 0.00 C ATOM 1018 C GLY A 66 0.641 -2.227 -1.932 1.00 0.00 C ATOM 1019 O GLY A 66 1.615 -1.586 -1.535 1.00 0.00 O ATOM 0 H GLY A 66 0.022 -2.406 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.376 -4.297 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.041 -3.308 -1.171 1.00 0.00 H new ATOM 1023 N TYR A 67 0.058 -2.004 -3.104 1.00 0.00 N ATOM 1024 CA TYR A 67 0.540 -0.972 -4.014 1.00 0.00 C ATOM 1025 C TYR A 67 -0.502 -0.658 -5.083 1.00 0.00 C ATOM 1026 O TYR A 67 -1.545 -1.307 -5.159 1.00 0.00 O ATOM 1027 CB TYR A 67 1.847 -1.415 -4.674 1.00 0.00 C ATOM 1028 CG TYR A 67 1.656 -2.448 -5.761 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.448 -3.786 -5.447 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.683 -2.087 -7.102 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.274 -4.733 -6.437 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.509 -3.028 -8.099 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.305 -4.349 -7.761 1.00 0.00 C ATOM 1034 OH TYR A 67 1.131 -5.290 -8.750 1.00 0.00 O ATOM 0 H TYR A 67 -0.750 -2.524 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 67 0.722 -0.068 -3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.345 -0.542 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.510 -1.821 -3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.422 -4.090 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.843 -1.053 -7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.115 -5.769 -6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.533 -2.730 -9.137 1.00 0.00 H new ATOM 0 HH TYR A 67 1.830 -5.185 -9.428 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.211 0.341 -5.908 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.120 0.742 -6.976 1.00 0.00 C ATOM 1046 C ASP A 68 -0.442 1.721 -7.929 1.00 0.00 C ATOM 1047 O ASP A 68 0.644 2.227 -7.646 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.383 1.374 -6.388 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.592 1.191 -7.283 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.114 0.058 -7.352 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.019 2.180 -7.914 1.00 0.00 O ATOM 0 H ASP A 68 0.648 0.889 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.397 -0.150 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.586 0.932 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.212 2.438 -6.227 1.00 0.00 H new ATOM 1056 N SER A 69 -1.089 1.982 -9.060 1.00 0.00 N ATOM 1057 CA SER A 69 -0.546 2.896 -10.058 1.00 0.00 C ATOM 1058 C SER A 69 0.091 4.112 -9.391 1.00 0.00 C ATOM 1059 O SER A 69 1.295 4.337 -9.508 1.00 0.00 O ATOM 1060 CB SER A 69 -1.647 3.347 -11.020 1.00 0.00 C ATOM 1061 OG SER A 69 -1.840 2.399 -12.055 1.00 0.00 O ATOM 0 H SER A 69 -1.990 1.573 -9.308 1.00 0.00 H new ATOM 0 HA SER A 69 0.223 2.366 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.579 3.486 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.384 4.313 -11.452 1.00 0.00 H new ATOM 0 HG SER A 69 -2.550 2.710 -12.655 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.726 4.891 -8.691 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.244 6.085 -8.005 1.00 0.00 C ATOM 1069 C ASN A 70 -0.757 6.132 -6.569 1.00 0.00 C ATOM 1070 O ASN A 70 -1.187 7.180 -6.086 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.682 7.343 -8.757 1.00 0.00 C ATOM 1072 CG ASN A 70 -2.191 7.487 -8.812 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -2.882 6.675 -9.426 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.709 8.526 -8.167 1.00 0.00 N ATOM 0 H ASN A 70 -1.725 4.717 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 70 0.845 6.045 -7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.253 8.220 -8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.285 7.313 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.718 8.675 -8.168 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.098 9.174 -7.671 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.708 4.990 -5.892 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.167 4.901 -4.510 1.00 0.00 C ATOM 1083 C LEU A 71 -0.398 3.824 -3.749 1.00 0.00 C ATOM 1084 O LEU A 71 -0.345 2.669 -4.172 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.666 4.598 -4.468 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.386 4.951 -3.166 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.840 4.122 -2.013 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.252 6.437 -2.868 1.00 0.00 C ATOM 0 H LEU A 71 -0.355 4.114 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.983 5.862 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.148 5.137 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.807 3.534 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.445 4.719 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.364 4.387 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.989 3.063 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.775 4.322 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.770 6.670 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.197 6.695 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.692 7.013 -3.682 1.00 0.00 H new ATOM 1100 N PHE A 72 0.193 4.211 -2.624 1.00 0.00 N ATOM 1101 CA PHE A 72 0.958 3.279 -1.804 1.00 0.00 C ATOM 1102 C PHE A 72 0.607 3.440 -0.327 1.00 0.00 C ATOM 1103 O PHE A 72 0.861 4.484 0.272 1.00 0.00 O ATOM 1104 CB PHE A 72 2.458 3.498 -2.009 1.00 0.00 C ATOM 1105 CG PHE A 72 3.313 2.774 -1.008 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.201 1.402 -0.846 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.227 3.465 -0.229 1.00 0.00 C ATOM 1108 CE1 PHE A 72 3.986 0.734 0.075 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.014 2.802 0.693 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.894 1.435 0.845 1.00 0.00 C ATOM 0 H PHE A 72 0.157 5.163 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 72 0.700 2.266 -2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.731 3.170 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.672 4.565 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.493 0.849 -1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.325 4.534 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.890 -0.335 0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.722 3.353 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.509 0.915 1.564 1.00 0.00 H new ATOM 1120 N SER A 73 0.021 2.397 0.252 1.00 0.00 N ATOM 1121 CA SER A 73 -0.370 2.423 1.657 1.00 0.00 C ATOM 1122 C SER A 73 0.156 1.192 2.390 1.00 0.00 C ATOM 1123 O SER A 73 0.606 0.230 1.767 1.00 0.00 O ATOM 1124 CB SER A 73 -1.893 2.493 1.783 1.00 0.00 C ATOM 1125 OG SER A 73 -2.292 2.499 3.143 1.00 0.00 O ATOM 0 H SER A 73 -0.193 1.524 -0.230 1.00 0.00 H new ATOM 0 HA SER A 73 0.067 3.311 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.261 3.392 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.343 1.642 1.272 1.00 0.00 H new ATOM 0 HG SER A 73 -1.710 3.101 3.652 1.00 0.00 H new ATOM 1131 N PHE A 74 0.096 1.231 3.717 1.00 0.00 N ATOM 1132 CA PHE A 74 0.567 0.120 4.536 1.00 0.00 C ATOM 1133 C PHE A 74 -0.109 0.129 5.904 1.00 0.00 C ATOM 1134 O PHE A 74 -0.541 1.175 6.387 1.00 0.00 O ATOM 1135 CB PHE A 74 2.086 0.192 4.705 1.00 0.00 C ATOM 1136 CG PHE A 74 2.570 1.518 5.217 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.322 1.902 6.525 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.274 2.379 4.391 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.767 3.122 7.000 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.722 3.599 4.861 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.467 3.972 6.166 1.00 0.00 C ATOM 0 H PHE A 74 -0.274 2.019 4.248 1.00 0.00 H new ATOM 0 HA PHE A 74 0.308 -0.809 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.405 -0.592 5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.560 -0.013 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.775 1.241 7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.475 2.094 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.568 3.410 8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.271 4.261 4.208 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.814 4.926 6.534 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.197 -1.045 6.522 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.822 -1.172 7.833 1.00 0.00 C ATOM 1153 C GLU A 75 0.229 -1.161 8.940 1.00 0.00 C ATOM 1154 O GLU A 75 1.414 -1.376 8.687 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.643 -2.461 7.908 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.089 -2.288 7.473 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.944 -1.630 8.539 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -3.404 -0.814 9.314 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -5.155 -1.933 8.597 1.00 0.00 O ATOM 0 H GLU A 75 0.156 -1.921 6.136 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.485 -0.318 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.172 -3.219 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.623 -2.836 8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.122 -1.687 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.509 -3.263 7.226 1.00 0.00 H new ATOM 1166 N SER A 76 -0.215 -0.907 10.167 1.00 0.00 N ATOM 1167 CA SER A 76 0.687 -0.863 11.312 1.00 0.00 C ATOM 1168 C SER A 76 -0.051 -1.221 12.598 1.00 0.00 C ATOM 1169 O SER A 76 -1.162 -0.752 12.841 1.00 0.00 O ATOM 1170 CB SER A 76 1.314 0.526 11.440 1.00 0.00 C ATOM 1171 OG SER A 76 0.330 1.507 11.717 1.00 0.00 O ATOM 0 H SER A 76 -1.193 -0.729 10.394 1.00 0.00 H new ATOM 0 HA SER A 76 1.477 -1.597 11.150 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.060 0.520 12.235 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.835 0.780 10.517 1.00 0.00 H new ATOM 0 HG SER A 76 -0.230 1.642 10.924 1.00 0.00 H new ATOM 1177 N GLY A 77 0.577 -2.057 13.420 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.034 -2.464 14.672 1.00 0.00 C ATOM 1179 C GLY A 77 -0.244 -1.301 15.621 1.00 0.00 C ATOM 1180 O GLY A 77 -0.833 -0.286 15.249 1.00 0.00 O ATOM 0 H GLY A 77 1.497 -2.459 13.241 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.993 -2.939 14.467 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.596 -3.212 15.153 1.00 0.00 H new ATOM 1184 N ARG A 78 0.238 -1.448 16.851 1.00 0.00 N ATOM 1185 CA ARG A 78 0.098 -0.402 17.857 1.00 0.00 C ATOM 1186 C ARG A 78 1.446 -0.073 18.491 1.00 0.00 C ATOM 1187 O ARG A 78 1.815 1.095 18.619 1.00 0.00 O ATOM 1188 CB ARG A 78 -0.895 -0.834 18.938 1.00 0.00 C ATOM 1189 CG ARG A 78 -0.627 -2.225 19.488 1.00 0.00 C ATOM 1190 CD ARG A 78 -1.917 -2.923 19.891 1.00 0.00 C ATOM 1191 NE ARG A 78 -1.665 -4.191 20.569 1.00 0.00 N ATOM 1192 CZ ARG A 78 -1.317 -5.306 19.936 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -1.179 -5.309 18.618 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -1.105 -6.421 20.623 1.00 0.00 N ATOM 0 H ARG A 78 0.729 -2.281 17.175 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.280 0.494 17.364 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.863 -0.116 19.757 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.904 -0.803 18.526 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.109 -2.821 18.737 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.035 -2.155 20.351 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.493 -2.270 20.547 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.525 -3.101 19.004 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.761 -4.223 21.584 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.340 -4.454 18.086 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.912 -6.167 18.135 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.209 -6.422 21.638 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.838 -7.277 20.137 1.00 0.00 H new ATOM 1208 N ARG A 79 2.177 -1.110 18.886 1.00 0.00 N ATOM 1209 CA ARG A 79 3.483 -0.931 19.508 1.00 0.00 C ATOM 1210 C ARG A 79 4.354 0.012 18.683 1.00 0.00 C ATOM 1211 O ARG A 79 5.285 0.627 19.204 1.00 0.00 O ATOM 1212 CB ARG A 79 4.185 -2.281 19.668 1.00 0.00 C ATOM 1213 CG ARG A 79 4.510 -2.959 18.347 1.00 0.00 C ATOM 1214 CD ARG A 79 5.720 -3.872 18.473 1.00 0.00 C ATOM 1215 NE ARG A 79 5.385 -5.139 19.116 1.00 0.00 N ATOM 1216 CZ ARG A 79 6.293 -6.003 19.555 1.00 0.00 C ATOM 1217 NH1 ARG A 79 7.585 -5.738 19.421 1.00 0.00 N ATOM 1218 NH2 ARG A 79 5.910 -7.136 20.131 1.00 0.00 N ATOM 0 H ARG A 79 1.887 -2.083 18.786 1.00 0.00 H new ATOM 0 HA ARG A 79 3.331 -0.489 20.493 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.108 -2.137 20.229 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.552 -2.942 20.260 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.649 -3.538 18.012 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.701 -2.203 17.586 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.132 -4.066 17.483 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.496 -3.368 19.048 1.00 0.00 H new ATOM 0 HE ARG A 79 4.399 -5.374 19.235 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.884 -4.868 18.980 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.280 -6.404 19.759 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.917 -7.344 20.237 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.609 -7.799 20.468 1.00 0.00 H new ATOM 1232 N CYS A 80 4.045 0.119 17.396 1.00 0.00 N ATOM 1233 CA CYS A 80 4.800 0.986 16.498 1.00 0.00 C ATOM 1234 C CYS A 80 4.671 2.447 16.917 1.00 0.00 C ATOM 1235 O CYS A 80 3.918 2.775 17.834 1.00 0.00 O ATOM 1236 CB CYS A 80 4.316 0.811 15.059 1.00 0.00 C ATOM 1237 SG CYS A 80 2.517 0.750 14.887 1.00 0.00 S ATOM 0 H CYS A 80 3.277 -0.383 16.951 1.00 0.00 H new ATOM 0 HA CYS A 80 5.851 0.701 16.557 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.700 1.633 14.455 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.740 -0.108 14.654 1.00 0.00 H new ATOM 0 HG CYS A 80 2.144 -0.475 14.664 1.00 0.00 H new ATOM 1243 N GLN A 81 5.410 3.319 16.239 1.00 0.00 N ATOM 1244 CA GLN A 81 5.379 4.745 16.543 1.00 0.00 C ATOM 1245 C GLN A 81 4.030 5.351 16.172 1.00 0.00 C ATOM 1246 O GLN A 81 3.306 5.857 17.031 1.00 0.00 O ATOM 1247 CB GLN A 81 6.500 5.471 15.798 1.00 0.00 C ATOM 1248 CG GLN A 81 6.258 6.964 15.640 1.00 0.00 C ATOM 1249 CD GLN A 81 5.584 7.309 14.327 1.00 0.00 C ATOM 1250 OE1 GLN A 81 5.535 6.493 13.407 1.00 0.00 O ATOM 1251 NE2 GLN A 81 5.059 8.526 14.233 1.00 0.00 N ATOM 0 H GLN A 81 6.037 3.064 15.476 1.00 0.00 H new ATOM 0 HA GLN A 81 5.528 4.866 17.616 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.438 5.318 16.331 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.618 5.024 14.811 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.640 7.318 16.465 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.210 7.492 15.705 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.122 9.171 15.021 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.593 8.815 13.373 1.00 0.00 H new ATOM 1260 N THR A 82 3.696 5.298 14.886 1.00 0.00 N ATOM 1261 CA THR A 82 2.435 5.843 14.401 1.00 0.00 C ATOM 1262 C THR A 82 1.249 5.211 15.121 1.00 0.00 C ATOM 1263 O THR A 82 0.249 5.874 15.392 1.00 0.00 O ATOM 1264 CB THR A 82 2.275 5.626 12.884 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.696 4.304 12.532 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.088 6.648 12.103 1.00 0.00 C ATOM 0 H THR A 82 4.282 4.883 14.162 1.00 0.00 H new ATOM 0 HA THR A 82 2.454 6.913 14.608 1.00 0.00 H new ATOM 0 HB THR A 82 1.223 5.751 12.630 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.562 4.347 12.076 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.960 6.475 11.034 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.746 7.652 12.352 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.142 6.549 12.362 1.00 0.00 H new ATOM 1274 N GLY A 83 1.368 3.923 15.429 1.00 0.00 N ATOM 1275 CA GLY A 83 0.299 3.222 16.115 1.00 0.00 C ATOM 1276 C GLY A 83 -0.845 2.860 15.189 1.00 0.00 C ATOM 1277 O GLY A 83 -0.883 3.297 14.039 1.00 0.00 O ATOM 0 H GLY A 83 2.186 3.353 15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.697 2.314 16.568 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.078 3.845 16.926 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.779 2.058 15.690 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.928 1.636 14.898 1.00 0.00 C ATOM 1283 C GLN A 84 -3.360 2.737 13.935 1.00 0.00 C ATOM 1284 O GLN A 84 -3.476 3.900 14.319 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.093 1.255 15.813 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.098 -0.211 16.214 1.00 0.00 C ATOM 1287 CD GLN A 84 -5.341 -0.599 16.990 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.116 0.259 17.414 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -5.539 -1.898 17.181 1.00 0.00 N ATOM 0 H GLN A 84 -1.763 1.688 16.640 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.634 0.764 14.314 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.053 1.869 16.713 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.031 1.488 15.309 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.025 -0.829 15.319 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.216 -0.421 16.819 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.871 -2.575 16.812 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.359 -2.219 17.696 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.597 2.362 12.682 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.013 3.329 11.684 1.00 0.00 C ATOM 1300 C GLY A 85 -3.272 3.165 10.372 1.00 0.00 C ATOM 1301 O GLY A 85 -2.049 3.020 10.357 1.00 0.00 O ATOM 0 H GLY A 85 -3.508 1.405 12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.084 3.227 11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.848 4.336 12.067 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.012 3.185 9.269 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.417 3.037 7.947 1.00 0.00 C ATOM 1307 C ILE A 86 -3.052 4.393 7.353 1.00 0.00 C ATOM 1308 O ILE A 86 -3.741 5.388 7.579 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.367 2.304 6.981 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.581 0.860 7.439 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.813 2.340 5.564 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.803 0.208 6.830 1.00 0.00 C ATOM 0 H ILE A 86 -5.025 3.302 9.265 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.512 2.443 8.073 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.331 2.813 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.700 0.272 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.672 0.841 8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.495 1.818 4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.708 3.376 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.839 1.852 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.892 -0.814 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.693 0.773 7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.705 0.194 5.744 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.965 4.425 6.589 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.508 5.659 5.961 1.00 0.00 C ATOM 1326 C PHE A 87 -1.201 5.435 4.483 1.00 0.00 C ATOM 1327 O PHE A 87 -0.382 4.587 4.130 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.265 6.191 6.677 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.416 6.258 8.170 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -0.975 7.373 8.773 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.002 5.207 8.970 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.115 7.439 10.147 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -0.137 5.266 10.343 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.695 6.384 10.933 1.00 0.00 C ATOM 0 H PHE A 87 -1.384 3.610 6.390 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.307 6.396 6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.585 5.554 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.035 7.187 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.305 8.200 8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.441 4.332 8.515 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.552 8.314 10.605 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.190 4.439 10.955 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.802 6.433 12.007 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.864 6.202 3.624 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.662 6.089 2.185 1.00 0.00 C ATOM 1346 C ALA A 88 -0.903 7.295 1.641 1.00 0.00 C ATOM 1347 O ALA A 88 -1.073 8.416 2.121 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.999 5.940 1.474 1.00 0.00 C ATOM 0 H ALA A 88 -2.546 6.909 3.900 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.062 5.199 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.833 5.857 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.504 5.044 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.619 6.813 1.678 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.064 7.057 0.638 1.00 0.00 N ATOM 1355 CA PHE A 89 0.723 8.124 0.031 1.00 0.00 C ATOM 1356 C PHE A 89 0.741 7.988 -1.489 1.00 0.00 C ATOM 1357 O PHE A 89 0.720 6.880 -2.025 1.00 0.00 O ATOM 1358 CB PHE A 89 2.153 8.104 0.573 1.00 0.00 C ATOM 1359 CG PHE A 89 2.229 7.869 2.055 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.954 6.619 2.586 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.577 8.897 2.916 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.022 6.400 3.949 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.647 8.683 4.280 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.370 7.433 4.797 1.00 0.00 C ATOM 0 H PHE A 89 0.088 6.135 0.229 1.00 0.00 H new ATOM 0 HA PHE A 89 0.258 9.076 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.717 7.325 0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.635 9.053 0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.684 5.807 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.796 9.876 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.803 5.422 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.918 9.493 4.941 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.425 7.263 5.862 1.00 0.00 H new ATOM 1374 N LYS A 90 0.781 9.123 -2.178 1.00 0.00 N ATOM 1375 CA LYS A 90 0.803 9.133 -3.636 1.00 0.00 C ATOM 1376 C LYS A 90 2.236 9.117 -4.159 1.00 0.00 C ATOM 1377 O LYS A 90 2.995 10.063 -3.945 1.00 0.00 O ATOM 1378 CB LYS A 90 0.069 10.365 -4.169 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.409 10.128 -4.428 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.037 11.289 -5.180 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.448 10.957 -5.641 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.366 10.722 -4.492 1.00 0.00 N ATOM 0 H LYS A 90 0.799 10.049 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 90 0.296 8.234 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.178 11.180 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.544 10.688 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.536 9.210 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.927 9.985 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.061 12.169 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.421 11.541 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.832 11.774 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.424 10.070 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.328 10.549 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.042 9.894 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.370 11.559 -3.874 1.00 0.00 H new ATOM 1396 N CYS A 91 2.598 8.039 -4.845 1.00 0.00 N ATOM 1397 CA CYS A 91 3.941 7.900 -5.398 1.00 0.00 C ATOM 1398 C CYS A 91 3.884 7.483 -6.864 1.00 0.00 C ATOM 1399 O CYS A 91 2.939 6.821 -7.295 1.00 0.00 O ATOM 1400 CB CYS A 91 4.743 6.876 -4.595 1.00 0.00 C ATOM 1401 SG CYS A 91 6.532 7.134 -4.648 1.00 0.00 S ATOM 0 H CYS A 91 1.981 7.249 -5.032 1.00 0.00 H new ATOM 0 HA CYS A 91 4.436 8.869 -5.333 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.413 6.905 -3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.519 5.878 -4.972 1.00 0.00 H new ATOM 0 HG CYS A 91 6.796 8.388 -4.430 1.00 0.00 H new ATOM 1407 N SER A 92 4.900 7.874 -7.626 1.00 0.00 N ATOM 1408 CA SER A 92 4.963 7.545 -9.045 1.00 0.00 C ATOM 1409 C SER A 92 5.470 6.121 -9.250 1.00 0.00 C ATOM 1410 O SER A 92 5.037 5.422 -10.167 1.00 0.00 O ATOM 1411 CB SER A 92 5.872 8.533 -9.779 1.00 0.00 C ATOM 1412 OG SER A 92 5.157 9.695 -10.164 1.00 0.00 O ATOM 0 H SER A 92 5.691 8.419 -7.284 1.00 0.00 H new ATOM 0 HA SER A 92 3.955 7.616 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.706 8.812 -9.135 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.297 8.055 -10.661 1.00 0.00 H new ATOM 0 HG SER A 92 5.760 10.311 -10.630 1.00 0.00 H new ATOM 1418 N ARG A 93 6.391 5.698 -8.391 1.00 0.00 N ATOM 1419 CA ARG A 93 6.959 4.358 -8.478 1.00 0.00 C ATOM 1420 C ARG A 93 6.502 3.497 -7.304 1.00 0.00 C ATOM 1421 O ARG A 93 7.309 2.820 -6.667 1.00 0.00 O ATOM 1422 CB ARG A 93 8.487 4.430 -8.508 1.00 0.00 C ATOM 1423 CG ARG A 93 9.044 5.032 -9.788 1.00 0.00 C ATOM 1424 CD ARG A 93 10.488 5.475 -9.612 1.00 0.00 C ATOM 1425 NE ARG A 93 11.410 4.343 -9.594 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.818 3.709 -10.688 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.387 4.095 -11.881 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.658 2.687 -10.589 1.00 0.00 N ATOM 0 H ARG A 93 6.760 6.264 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 93 6.606 3.899 -9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.831 5.021 -7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.892 3.426 -8.383 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.982 4.300 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.434 5.885 -10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.761 6.152 -10.422 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.584 6.036 -8.682 1.00 0.00 H new ATOM 0 HE ARG A 93 11.760 4.021 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.741 4.880 -11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.702 3.607 -12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.991 2.387 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.971 2.201 -11.429 1.00 0.00 H new ATOM 1442 N ALA A 94 5.204 3.529 -7.024 1.00 0.00 N ATOM 1443 CA ALA A 94 4.639 2.750 -5.928 1.00 0.00 C ATOM 1444 C ALA A 94 5.087 1.294 -6.002 1.00 0.00 C ATOM 1445 O ALA A 94 5.641 0.757 -5.043 1.00 0.00 O ATOM 1446 CB ALA A 94 3.121 2.839 -5.946 1.00 0.00 C ATOM 0 H ALA A 94 4.523 4.086 -7.541 1.00 0.00 H new ATOM 0 HA ALA A 94 5.005 3.168 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.712 2.253 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.816 3.880 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.745 2.448 -6.891 1.00 0.00 H new ATOM 1452 N GLU A 95 4.843 0.661 -7.145 1.00 0.00 N ATOM 1453 CA GLU A 95 5.221 -0.733 -7.341 1.00 0.00 C ATOM 1454 C GLU A 95 6.662 -0.974 -6.900 1.00 0.00 C ATOM 1455 O GLU A 95 6.925 -1.810 -6.036 1.00 0.00 O ATOM 1456 CB GLU A 95 5.052 -1.129 -8.810 1.00 0.00 C ATOM 1457 CG GLU A 95 4.985 -2.630 -9.032 1.00 0.00 C ATOM 1458 CD GLU A 95 4.140 -3.005 -10.234 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.020 -2.174 -11.158 1.00 0.00 O ATOM 1460 OE2 GLU A 95 3.599 -4.131 -10.250 1.00 0.00 O ATOM 0 H GLU A 95 4.386 1.091 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 95 4.564 -1.350 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.142 -0.672 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.884 -0.722 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.994 -3.019 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.576 -3.107 -8.142 1.00 0.00 H new ATOM 1467 N GLU A 96 7.589 -0.235 -7.501 1.00 0.00 N ATOM 1468 CA GLU A 96 9.003 -0.370 -7.172 1.00 0.00 C ATOM 1469 C GLU A 96 9.194 -0.597 -5.675 1.00 0.00 C ATOM 1470 O GLU A 96 9.808 -1.580 -5.259 1.00 0.00 O ATOM 1471 CB GLU A 96 9.773 0.877 -7.611 1.00 0.00 C ATOM 1472 CG GLU A 96 10.079 0.911 -9.099 1.00 0.00 C ATOM 1473 CD GLU A 96 8.925 0.406 -9.943 1.00 0.00 C ATOM 1474 OE1 GLU A 96 8.835 -0.822 -10.151 1.00 0.00 O ATOM 1475 OE2 GLU A 96 8.112 1.239 -10.397 1.00 0.00 O ATOM 0 H GLU A 96 7.387 0.462 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 96 9.393 -1.236 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.195 1.762 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.709 0.930 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.320 1.932 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.963 0.305 -9.298 1.00 0.00 H new ATOM 1482 N ILE A 97 8.664 0.319 -4.871 1.00 0.00 N ATOM 1483 CA ILE A 97 8.774 0.218 -3.421 1.00 0.00 C ATOM 1484 C ILE A 97 8.133 -1.066 -2.908 1.00 0.00 C ATOM 1485 O ILE A 97 8.579 -1.642 -1.916 1.00 0.00 O ATOM 1486 CB ILE A 97 8.116 1.422 -2.722 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.657 2.733 -3.298 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.356 1.359 -1.220 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.681 3.884 -3.198 1.00 0.00 C ATOM 0 H ILE A 97 8.154 1.139 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 97 9.838 0.208 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 97 7.041 1.384 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.575 2.999 -2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.920 2.580 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.885 2.217 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.928 0.439 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.428 1.376 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.131 4.780 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.771 3.638 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.437 4.064 -2.151 1.00 0.00 H new ATOM 1501 N PHE A 98 7.084 -1.512 -3.592 1.00 0.00 N ATOM 1502 CA PHE A 98 6.381 -2.730 -3.207 1.00 0.00 C ATOM 1503 C PHE A 98 7.184 -3.968 -3.596 1.00 0.00 C ATOM 1504 O PHE A 98 7.041 -5.029 -2.991 1.00 0.00 O ATOM 1505 CB PHE A 98 5.000 -2.776 -3.864 1.00 0.00 C ATOM 1506 CG PHE A 98 4.576 -4.159 -4.270 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.114 -5.061 -3.325 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.637 -4.556 -5.596 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.724 -6.334 -3.696 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.248 -5.827 -5.972 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.789 -6.717 -5.021 1.00 0.00 C ATOM 0 H PHE A 98 6.702 -1.048 -4.416 1.00 0.00 H new ATOM 0 HA PHE A 98 6.260 -2.723 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.263 -2.367 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.003 -2.132 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.058 -4.766 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.993 -3.864 -6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.368 -7.029 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.303 -6.124 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.482 -7.710 -5.313 1.00 0.00 H new ATOM 1521 N ASN A 99 8.028 -3.822 -4.613 1.00 0.00 N ATOM 1522 CA ASN A 99 8.854 -4.928 -5.085 1.00 0.00 C ATOM 1523 C ASN A 99 10.181 -4.976 -4.333 1.00 0.00 C ATOM 1524 O ASN A 99 10.812 -6.029 -4.233 1.00 0.00 O ATOM 1525 CB ASN A 99 9.110 -4.796 -6.587 1.00 0.00 C ATOM 1526 CG ASN A 99 7.907 -5.200 -7.417 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.113 -6.047 -7.007 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.768 -4.594 -8.591 1.00 0.00 N ATOM 0 H ASN A 99 8.158 -2.950 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 99 8.316 -5.857 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.377 -3.765 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.963 -5.416 -6.863 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.978 -4.825 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.451 -3.898 -8.890 1.00 0.00 H new ATOM 1535 N LEU A 100 10.597 -3.830 -3.806 1.00 0.00 N ATOM 1536 CA LEU A 100 11.849 -3.741 -3.063 1.00 0.00 C ATOM 1537 C LEU A 100 11.616 -3.978 -1.574 1.00 0.00 C ATOM 1538 O LEU A 100 12.488 -4.493 -0.873 1.00 0.00 O ATOM 1539 CB LEU A 100 12.496 -2.371 -3.278 1.00 0.00 C ATOM 1540 CG LEU A 100 14.023 -2.330 -3.200 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.545 -0.980 -3.665 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.493 -2.627 -1.784 1.00 0.00 C ATOM 0 H LEU A 100 10.086 -2.950 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 100 12.520 -4.515 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.192 -1.997 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.096 -1.682 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 100 14.422 -3.098 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.633 -0.969 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.239 -0.807 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.137 -0.194 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.582 -2.594 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.084 -1.882 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.150 -3.618 -1.487 1.00 0.00 H new ATOM 1554 N LEU A 101 10.435 -3.600 -1.098 1.00 0.00 N ATOM 1555 CA LEU A 101 10.086 -3.773 0.308 1.00 0.00 C ATOM 1556 C LEU A 101 10.249 -5.229 0.734 1.00 0.00 C ATOM 1557 O LEU A 101 11.088 -5.549 1.575 1.00 0.00 O ATOM 1558 CB LEU A 101 8.648 -3.315 0.557 1.00 0.00 C ATOM 1559 CG LEU A 101 8.468 -1.844 0.935 1.00 0.00 C ATOM 1560 CD1 LEU A 101 7.008 -1.437 0.817 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.982 -1.590 2.345 1.00 0.00 C ATOM 0 H LEU A 101 9.703 -3.172 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 101 10.764 -3.161 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.064 -3.512 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.225 -3.928 1.353 1.00 0.00 H new ATOM 0 HG LEU A 101 9.050 -1.237 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.900 -0.387 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.672 -1.582 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.404 -2.050 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.846 -0.538 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.427 -2.208 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.041 -1.842 2.397 1.00 0.00 H new ATOM 1573 N GLN A 102 9.442 -6.106 0.146 1.00 0.00 N ATOM 1574 CA GLN A 102 9.498 -7.528 0.464 1.00 0.00 C ATOM 1575 C GLN A 102 10.931 -8.045 0.392 1.00 0.00 C ATOM 1576 O GLN A 102 11.318 -8.934 1.151 1.00 0.00 O ATOM 1577 CB GLN A 102 8.608 -8.322 -0.494 1.00 0.00 C ATOM 1578 CG GLN A 102 8.987 -8.154 -1.957 1.00 0.00 C ATOM 1579 CD GLN A 102 8.236 -9.106 -2.867 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.444 -10.319 -2.823 1.00 0.00 O ATOM 1581 NE2 GLN A 102 7.357 -8.561 -3.699 1.00 0.00 N ATOM 0 H GLN A 102 8.742 -5.857 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 102 9.133 -7.662 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.660 -9.379 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.573 -8.010 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.786 -7.128 -2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.059 -8.317 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.216 -7.551 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.822 -9.152 -4.335 1.00 0.00 H new ATOM 1590 N ASP A 103 11.712 -7.484 -0.523 1.00 0.00 N ATOM 1591 CA ASP A 103 13.103 -7.888 -0.693 1.00 0.00 C ATOM 1592 C ASP A 103 13.893 -7.670 0.593 1.00 0.00 C ATOM 1593 O ASP A 103 14.768 -8.465 0.939 1.00 0.00 O ATOM 1594 CB ASP A 103 13.747 -7.108 -1.840 1.00 0.00 C ATOM 1595 CG ASP A 103 14.857 -7.886 -2.519 1.00 0.00 C ATOM 1596 OD1 ASP A 103 15.843 -8.232 -1.835 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.739 -8.149 -3.734 1.00 0.00 O ATOM 0 H ASP A 103 11.406 -6.748 -1.159 1.00 0.00 H new ATOM 0 HA ASP A 103 13.120 -8.951 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.984 -6.853 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.147 -6.169 -1.457 1.00 0.00 H new ATOM 1602 N LEU A 104 13.581 -6.588 1.297 1.00 0.00 N ATOM 1603 CA LEU A 104 14.263 -6.264 2.546 1.00 0.00 C ATOM 1604 C LEU A 104 13.563 -6.917 3.733 1.00 0.00 C ATOM 1605 O LEU A 104 14.213 -7.437 4.640 1.00 0.00 O ATOM 1606 CB LEU A 104 14.317 -4.748 2.742 1.00 0.00 C ATOM 1607 CG LEU A 104 14.809 -3.933 1.545 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.784 -2.447 1.865 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.210 -4.371 1.142 1.00 0.00 C ATOM 0 H LEU A 104 12.860 -5.920 1.025 1.00 0.00 H new ATOM 0 HA LEU A 104 15.280 -6.653 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.318 -4.400 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.965 -4.535 3.592 1.00 0.00 H new ATOM 0 HG LEU A 104 14.138 -4.114 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.137 -1.883 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.765 -2.143 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.432 -2.248 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.544 -3.781 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.893 -4.220 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.197 -5.427 0.870 1.00 0.00 H new ATOM 1621 N MET A 105 12.235 -6.889 3.720 1.00 0.00 N ATOM 1622 CA MET A 105 11.447 -7.482 4.794 1.00 0.00 C ATOM 1623 C MET A 105 11.883 -8.920 5.058 1.00 0.00 C ATOM 1624 O MET A 105 12.153 -9.296 6.199 1.00 0.00 O ATOM 1625 CB MET A 105 9.958 -7.444 4.445 1.00 0.00 C ATOM 1626 CG MET A 105 9.371 -6.042 4.438 1.00 0.00 C ATOM 1627 SD MET A 105 7.650 -6.012 3.902 1.00 0.00 S ATOM 1628 CE MET A 105 6.803 -6.109 5.477 1.00 0.00 C ATOM 0 H MET A 105 11.681 -6.462 2.977 1.00 0.00 H new ATOM 0 HA MET A 105 11.615 -6.898 5.699 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.812 -7.895 3.464 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.410 -8.055 5.162 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.443 -5.617 5.439 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.964 -5.407 3.779 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.429 -7.122 5.627 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.496 -5.856 6.279 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.968 -5.409 5.485 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.451 11.149 8.212 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.885 10.923 8.076 1.00 0.00 C ATOM 2277 C PHE B 2 -4.235 9.465 8.363 1.00 0.00 C ATOM 2278 O PHE B 2 -3.581 8.549 7.863 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.353 11.304 6.670 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.846 11.275 6.507 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.512 10.074 6.322 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.583 12.448 6.538 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.886 10.045 6.170 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.957 12.424 6.388 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.609 11.221 6.205 1.00 0.00 C ATOM 0 HA PHE B 2 -4.397 11.552 8.804 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.989 12.304 6.433 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.903 10.622 5.949 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.952 9.151 6.296 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.078 13.392 6.681 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.394 9.103 6.024 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.520 13.345 6.414 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.683 11.200 6.089 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.270 9.259 9.170 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.706 7.913 9.525 1.00 0.00 C ATOM 2297 C ARG B 3 -6.821 7.441 8.597 1.00 0.00 C ATOM 2298 O ARG B 3 -7.906 8.023 8.565 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.186 7.876 10.977 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.455 8.677 11.219 1.00 0.00 C ATOM 2301 CD ARG B 3 -7.716 8.871 12.705 1.00 0.00 C ATOM 2302 NE ARG B 3 -8.477 7.763 13.277 1.00 0.00 N ATOM 2303 CZ ARG B 3 -9.782 7.599 13.097 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -10.469 8.466 12.366 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -10.404 6.565 13.650 1.00 0.00 N ATOM 0 H ARG B 3 -5.823 10.006 9.591 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.855 7.241 9.414 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.360 6.840 11.267 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.396 8.260 11.622 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -7.371 9.649 10.733 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -8.302 8.165 10.763 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -6.766 8.967 13.230 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -8.261 9.802 12.859 1.00 0.00 H new ATOM 0 HE ARG B 3 -7.979 7.078 13.845 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -9.995 9.262 11.940 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -11.472 8.337 12.230 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -9.879 5.896 14.214 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -11.407 6.439 13.511 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.547 6.382 7.843 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.526 5.831 6.913 1.00 0.00 C ATOM 2321 C LEU B 4 -8.472 4.869 7.625 1.00 0.00 C ATOM 2322 O LEU B 4 -8.263 4.525 8.789 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.819 5.111 5.764 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.422 5.980 4.570 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.462 5.230 3.659 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.656 6.423 3.798 1.00 0.00 C ATOM 0 H LEU B 4 -5.655 5.888 7.858 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.112 6.657 6.510 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.920 4.637 6.157 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.470 4.313 5.407 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.915 6.869 4.946 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.191 5.864 2.815 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.564 4.964 4.217 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.943 4.323 3.292 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.354 7.040 2.952 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.192 5.546 3.434 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.308 7.000 4.454 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.512 4.438 6.919 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.489 3.515 7.483 1.00 0.00 C ATOM 2340 C ARG B 5 -10.429 2.163 6.780 1.00 0.00 C ATOM 2341 O ARG B 5 -10.481 1.114 7.423 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.899 4.099 7.369 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.993 3.139 7.806 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.287 3.387 7.048 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.847 4.704 7.337 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.533 4.985 8.440 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -15.740 4.046 9.353 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -16.011 6.208 8.632 1.00 0.00 N ATOM 0 H ARG B 5 -9.700 4.713 5.955 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.247 3.369 8.536 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.958 5.004 7.974 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.078 4.394 6.335 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.665 2.113 7.642 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -13.170 3.250 8.876 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.103 3.299 5.977 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -15.014 2.618 7.311 1.00 0.00 H new ATOM 0 HE ARG B 5 -14.704 5.449 6.655 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -15.372 3.105 9.210 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -16.267 4.264 10.199 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -15.852 6.933 7.933 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.537 6.423 9.479 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.320 2.194 5.455 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.253 0.971 4.664 1.00 0.00 C ATOM 2364 C HIS B 6 -8.995 0.950 3.802 1.00 0.00 C ATOM 2365 O HIS B 6 -8.506 1.995 3.373 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.494 0.842 3.779 1.00 0.00 C ATOM 2367 CG HIS B 6 -11.911 2.131 3.141 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -13.117 2.745 3.403 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -11.273 2.924 2.248 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -13.205 3.859 2.698 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -12.098 3.991 1.989 1.00 0.00 N ATOM 0 H HIS B 6 -10.276 3.053 4.907 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.216 0.125 5.351 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.299 0.106 2.999 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.320 0.459 4.379 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -10.297 2.750 1.819 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -14.039 4.545 2.701 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -11.890 4.760 1.353 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.474 -0.247 3.553 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.271 -0.404 2.743 1.00 0.00 C ATOM 2382 C PHE B 7 -7.575 -0.170 1.267 1.00 0.00 C ATOM 2383 O PHE B 7 -8.321 -0.917 0.634 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.679 -1.802 2.938 1.00 0.00 C ATOM 2385 CG PHE B 7 -5.203 -1.871 2.664 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.333 -0.967 3.253 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.687 -2.839 1.818 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.975 -1.028 3.003 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -3.330 -2.905 1.565 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.473 -1.998 2.157 1.00 0.00 C ATOM 0 H PHE B 7 -8.866 -1.122 3.900 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.544 0.340 3.068 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.866 -2.128 3.961 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -7.196 -2.502 2.281 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.721 -0.206 3.915 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -5.353 -3.550 1.351 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.307 -0.318 3.468 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.940 -3.665 0.905 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.412 -2.047 1.959 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.984 0.894 0.703 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.175 1.253 -0.705 1.00 0.00 C ATOM 2402 C PRO B 8 -6.511 0.260 -1.652 1.00 0.00 C ATOM 2403 O PRO B 8 -7.128 -0.206 -2.611 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.507 2.626 -0.815 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.496 2.645 0.279 1.00 0.00 C ATOM 2406 CD PRO B 8 -6.082 1.829 1.398 1.00 0.00 C ATOM 0 HA PRO B 8 -8.228 1.252 -0.986 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.038 2.761 -1.790 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.233 3.430 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.549 2.223 -0.057 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.293 3.665 0.605 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.310 1.301 1.957 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.622 2.453 2.110 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.251 -0.060 -1.377 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.503 -0.999 -2.206 1.00 0.00 C ATOM 2416 C CYS B 9 -5.155 -2.377 -2.191 1.00 0.00 C ATOM 2417 O CYS B 9 -5.729 -2.793 -1.185 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.057 -1.101 -1.718 1.00 0.00 C ATOM 2419 SG CYS B 9 -2.146 0.460 -1.780 1.00 0.00 S ATOM 0 H CYS B 9 -4.726 0.316 -0.587 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.509 -0.626 -3.230 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.056 -1.470 -0.692 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.532 -1.840 -2.323 1.00 0.00 H new ATOM 0 HG CYS B 9 -0.869 0.218 -1.763 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.065 -3.081 -3.315 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.653 -4.405 -3.411 1.00 0.00 C ATOM 2427 C GLY B 10 -4.607 -5.502 -3.456 1.00 0.00 C ATOM 2428 O GLY B 10 -4.596 -6.393 -2.609 1.00 0.00 O ATOM 0 H GLY B 10 -4.595 -2.758 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.311 -4.570 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.272 -4.460 -4.307 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.726 -5.437 -4.449 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.673 -6.434 -4.603 1.00 0.00 C ATOM 2434 C ASN B 11 -1.644 -6.315 -3.484 1.00 0.00 C ATOM 2435 O ASN B 11 -0.680 -5.556 -3.590 1.00 0.00 O ATOM 2436 CB ASN B 11 -1.987 -6.275 -5.961 1.00 0.00 C ATOM 2437 CG ASN B 11 -1.443 -7.588 -6.491 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -1.981 -8.657 -6.202 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -0.371 -7.513 -7.271 1.00 0.00 N ATOM 0 H ASN B 11 -3.720 -4.705 -5.159 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.131 -7.422 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.697 -5.863 -6.678 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.172 -5.557 -5.871 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.039 -8.363 -7.657 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.042 -6.605 -7.484 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.854 -7.070 -2.410 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.944 -7.051 -1.271 1.00 0.00 C ATOM 2448 C VAL B 12 -0.247 -8.396 -1.103 1.00 0.00 C ATOM 2449 O VAL B 12 -0.857 -9.450 -1.277 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.685 -6.703 0.033 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.847 -7.657 0.259 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.726 -6.729 1.214 1.00 0.00 C ATOM 0 H VAL B 12 -2.647 -7.703 -2.305 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.199 -6.281 -1.473 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.087 -5.694 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.358 -7.395 1.185 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.546 -7.583 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.471 -8.678 0.328 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.267 -6.481 2.127 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.292 -7.724 1.308 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.069 -6.000 1.053 1.00 0.00 H new ATOM 2462 N ASN B 13 1.037 -8.352 -0.762 1.00 0.00 N ATOM 2463 CA ASN B 13 1.819 -9.568 -0.570 1.00 0.00 C ATOM 2464 C ASN B 13 2.398 -9.625 0.841 1.00 0.00 C ATOM 2465 O ASN B 13 3.546 -9.243 1.068 1.00 0.00 O ATOM 2466 CB ASN B 13 2.948 -9.642 -1.600 1.00 0.00 C ATOM 2467 CG ASN B 13 4.079 -10.548 -1.154 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.848 -11.599 -0.555 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.311 -10.145 -1.446 1.00 0.00 N ATOM 0 H ASN B 13 1.558 -7.488 -0.613 1.00 0.00 H new ATOM 0 HA ASN B 13 1.156 -10.422 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.549 -10.004 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.338 -8.640 -1.780 1.00 0.00 H new ATOM 0 HD21 ASN B 13 6.112 -10.714 -1.172 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.456 -9.267 -1.944 1.00 0.00 H new ATOM 2476 N TYR B 14 1.596 -10.106 1.784 1.00 0.00 N ATOM 2477 CA TYR B 14 2.027 -10.212 3.173 1.00 0.00 C ATOM 2478 C TYR B 14 3.502 -10.593 3.258 1.00 0.00 C ATOM 2479 O TYR B 14 4.010 -11.344 2.426 1.00 0.00 O ATOM 2480 CB TYR B 14 1.178 -11.246 3.915 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.308 -10.977 3.838 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -0.847 -9.798 4.338 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.172 -11.901 3.265 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.204 -9.548 4.270 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.530 -11.659 3.192 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.041 -10.482 3.697 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.394 -10.236 3.626 1.00 0.00 O ATOM 0 H TYR B 14 0.644 -10.429 1.612 1.00 0.00 H new ATOM 0 HA TYR B 14 1.894 -9.238 3.643 1.00 0.00 H new ATOM 0 HB2 TYR B 14 1.382 -12.234 3.503 1.00 0.00 H new ATOM 0 HB3 TYR B 14 1.481 -11.269 4.962 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.194 -9.065 4.787 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.775 -12.825 2.870 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -2.607 -8.626 4.663 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.188 -12.388 2.742 1.00 0.00 H new ATOM 0 HH TYR B 14 -4.842 -10.993 3.193 1.00 0.00 H new ATOM 2497 N GLY B 15 4.184 -10.070 4.272 1.00 0.00 N ATOM 2498 CA GLY B 15 5.594 -10.366 4.449 1.00 0.00 C ATOM 2499 C GLY B 15 5.856 -11.232 5.665 1.00 0.00 C ATOM 2500 O GLY B 15 6.360 -12.349 5.543 1.00 0.00 O ATOM 0 H GLY B 15 3.786 -9.447 4.974 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.971 -10.871 3.559 1.00 0.00 H new ATOM 0 HA3 GLY B 15 6.149 -9.433 4.545 1.00 0.00 H new