USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 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 76 THR OG1 : rot -109:sc= -1.04 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -2.45! F(o=-4.9,f=-3.5!) USER MOD Set 2.1: A 41 MET CE :methyl -113:sc= -2.04 (180deg=-4.97!) USER MOD Set 2.2: A 70 GLN : amide:sc= -2.08 K(o=-4.1,f=-6.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 20 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.4!) USER MOD Single : A 26 ASN : amide:sc= -1.17! X(o=-1.2!,f=-0.83) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0.2 (180deg=0.155) USER MOD Single : A 38 TYR OH : rot 127:sc= 0.132 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.124 USER MOD Single : A 48 GLN : amide:sc= -1.38! X(o=-1.4!,f=-0.89) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -141:sc= 0.603 USER MOD Single : A 56 MET CE :methyl 159:sc= -1.79 (180deg=-2.31) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 170:sc= -0.205 (180deg=-0.449) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 68 GLN :FLIP amide:sc= -6.53! C(o=-9.3!,f=-6.5!) USER MOD Single : A 74 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -63:sc= -4.78! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 88:sc= 1.26 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.529 16.332 -7.496 1.00 0.00 N ATOM 191 CA PRO A 15 -3.733 15.567 -7.222 1.00 0.00 C ATOM 192 C PRO A 15 -3.843 14.362 -8.158 1.00 0.00 C ATOM 193 O PRO A 15 -3.475 14.445 -9.329 1.00 0.00 O ATOM 194 CB PRO A 15 -4.875 16.557 -7.392 1.00 0.00 C ATOM 195 CG PRO A 15 -4.309 17.710 -8.204 1.00 0.00 C ATOM 196 CD PRO A 15 -2.794 17.579 -8.207 1.00 0.00 C ATOM 0 HA PRO A 15 -3.740 15.139 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.719 16.095 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.240 16.902 -6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.696 17.686 -9.223 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.609 18.665 -7.772 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.401 17.547 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.322 18.426 -7.710 1.00 0.00 H new ATOM 204 N VAL A 16 -4.350 13.269 -7.607 1.00 0.00 N ATOM 205 CA VAL A 16 -4.513 12.048 -8.377 1.00 0.00 C ATOM 206 C VAL A 16 -5.436 12.320 -9.567 1.00 0.00 C ATOM 207 O VAL A 16 -6.256 13.236 -9.524 1.00 0.00 O ATOM 208 CB VAL A 16 -5.018 10.922 -7.473 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.875 10.329 -6.646 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.153 11.410 -6.571 1.00 0.00 C ATOM 0 H VAL A 16 -4.654 13.204 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.554 11.719 -8.778 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.414 10.132 -8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.261 9.531 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.114 9.926 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.435 11.107 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.493 10.590 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.794 12.227 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.981 11.762 -7.186 1.00 0.00 H new ATOM 220 N THR A 17 -5.273 11.507 -10.600 1.00 0.00 N ATOM 221 CA THR A 17 -6.082 11.648 -11.799 1.00 0.00 C ATOM 222 C THR A 17 -6.839 10.350 -12.087 1.00 0.00 C ATOM 223 O THR A 17 -6.548 9.313 -11.494 1.00 0.00 O ATOM 224 CB THR A 17 -5.162 12.081 -12.942 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.034 12.207 -14.061 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.182 10.980 -13.354 1.00 0.00 C ATOM 0 H THR A 17 -4.592 10.748 -10.632 1.00 0.00 H new ATOM 0 HA THR A 17 -6.848 12.413 -11.672 1.00 0.00 H new ATOM 0 HB THR A 17 -4.605 12.969 -12.643 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.520 12.487 -14.847 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.553 11.339 -14.168 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.556 10.713 -12.503 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.738 10.103 -13.685 1.00 0.00 H new ATOM 234 N GLY A 18 -7.797 10.451 -12.997 1.00 0.00 N ATOM 235 CA GLY A 18 -8.599 9.299 -13.371 1.00 0.00 C ATOM 236 C GLY A 18 -7.715 8.074 -13.620 1.00 0.00 C ATOM 237 O GLY A 18 -8.085 6.956 -13.267 1.00 0.00 O ATOM 0 H GLY A 18 -8.036 11.314 -13.486 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.317 9.079 -12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.173 9.527 -14.269 1.00 0.00 H new ATOM 241 N GLU A 19 -6.565 8.328 -14.228 1.00 0.00 N ATOM 242 CA GLU A 19 -5.627 7.261 -14.528 1.00 0.00 C ATOM 243 C GLU A 19 -5.168 6.578 -13.238 1.00 0.00 C ATOM 244 O GLU A 19 -5.110 5.351 -13.168 1.00 0.00 O ATOM 245 CB GLU A 19 -4.431 7.790 -15.323 1.00 0.00 C ATOM 246 CG GLU A 19 -3.702 6.651 -16.040 1.00 0.00 C ATOM 247 CD GLU A 19 -2.899 7.178 -17.230 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.443 8.051 -17.941 1.00 0.00 O ATOM 249 OE2 GLU A 19 -1.758 6.696 -17.404 1.00 0.00 O ATOM 0 H GLU A 19 -6.262 9.257 -14.521 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.135 6.521 -15.147 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.771 8.525 -16.052 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.742 8.302 -14.652 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.035 6.145 -15.342 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.425 5.911 -16.383 1.00 0.00 H new ATOM 256 N GLN A 20 -4.855 7.402 -12.249 1.00 0.00 N ATOM 257 CA GLN A 20 -4.404 6.892 -10.965 1.00 0.00 C ATOM 258 C GLN A 20 -5.587 6.338 -10.169 1.00 0.00 C ATOM 259 O GLN A 20 -5.533 5.214 -9.673 1.00 0.00 O ATOM 260 CB GLN A 20 -3.669 7.975 -10.174 1.00 0.00 C ATOM 261 CG GLN A 20 -2.283 8.241 -10.764 1.00 0.00 C ATOM 262 CD GLN A 20 -1.322 8.766 -9.695 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.466 8.503 -8.512 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.337 9.519 -10.175 1.00 0.00 N ATOM 0 H GLN A 20 -4.905 8.419 -12.311 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.701 6.079 -11.145 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.254 8.895 -10.181 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.572 7.667 -9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.885 7.322 -11.196 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.362 8.966 -11.574 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.275 9.700 -11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.357 9.916 -9.541 1.00 0.00 H new ATOM 273 N ILE A 21 -6.627 7.153 -10.071 1.00 0.00 N ATOM 274 CA ILE A 21 -7.821 6.758 -9.343 1.00 0.00 C ATOM 275 C ILE A 21 -8.119 5.284 -9.622 1.00 0.00 C ATOM 276 O ILE A 21 -7.967 4.438 -8.742 1.00 0.00 O ATOM 277 CB ILE A 21 -8.984 7.695 -9.674 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.851 9.021 -8.923 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.328 7.016 -9.404 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.198 9.742 -8.840 1.00 0.00 C ATOM 0 H ILE A 21 -6.668 8.085 -10.484 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.662 6.853 -8.269 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.946 7.923 -10.739 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.470 8.837 -7.918 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.124 9.658 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.138 7.703 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.414 6.121 -10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.391 6.739 -8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.075 10.682 -8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.564 9.946 -9.846 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.916 9.113 -8.313 1.00 0.00 H new ATOM 292 N GLU A 22 -8.538 5.021 -10.851 1.00 0.00 N ATOM 293 CA GLU A 22 -8.860 3.663 -11.258 1.00 0.00 C ATOM 294 C GLU A 22 -7.857 2.677 -10.655 1.00 0.00 C ATOM 295 O GLU A 22 -8.249 1.686 -10.041 1.00 0.00 O ATOM 296 CB GLU A 22 -8.899 3.543 -12.783 1.00 0.00 C ATOM 297 CG GLU A 22 -7.695 4.241 -13.419 1.00 0.00 C ATOM 298 CD GLU A 22 -6.705 3.220 -13.985 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.677 2.095 -13.441 1.00 0.00 O ATOM 300 OE2 GLU A 22 -6.000 3.588 -14.949 1.00 0.00 O ATOM 0 H GLU A 22 -8.662 5.725 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.853 3.417 -10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.907 2.491 -13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.821 3.983 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.033 4.905 -14.215 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.196 4.863 -12.676 1.00 0.00 H new ATOM 307 N VAL A 23 -6.583 2.984 -10.852 1.00 0.00 N ATOM 308 CA VAL A 23 -5.521 2.137 -10.335 1.00 0.00 C ATOM 309 C VAL A 23 -5.682 1.992 -8.821 1.00 0.00 C ATOM 310 O VAL A 23 -5.759 0.878 -8.305 1.00 0.00 O ATOM 311 CB VAL A 23 -4.158 2.701 -10.741 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.068 2.255 -9.764 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.805 2.303 -12.175 1.00 0.00 C ATOM 0 H VAL A 23 -6.262 3.807 -11.362 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.585 1.138 -10.765 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.220 3.789 -10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.109 2.669 -10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.309 2.611 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.008 1.167 -9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.832 2.717 -12.438 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.771 1.216 -12.253 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.561 2.692 -12.857 1.00 0.00 H new ATOM 323 N PHE A 24 -5.728 3.134 -8.151 1.00 0.00 N ATOM 324 CA PHE A 24 -5.879 3.148 -6.705 1.00 0.00 C ATOM 325 C PHE A 24 -7.026 2.237 -6.264 1.00 0.00 C ATOM 326 O PHE A 24 -6.836 1.353 -5.431 1.00 0.00 O ATOM 327 CB PHE A 24 -6.203 4.588 -6.303 1.00 0.00 C ATOM 328 CG PHE A 24 -5.381 5.104 -5.121 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.770 4.824 -3.848 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.261 5.843 -5.343 1.00 0.00 C ATOM 331 CE1 PHE A 24 -5.007 5.304 -2.751 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.498 6.323 -4.246 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.886 6.043 -2.973 1.00 0.00 C ATOM 0 H PHE A 24 -5.663 4.056 -8.582 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.965 2.790 -6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.036 5.240 -7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.262 4.655 -6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.659 4.237 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.952 6.065 -6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.316 5.083 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.609 6.911 -4.423 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.305 6.407 -2.139 1.00 0.00 H new ATOM 343 N ALA A 25 -8.192 2.484 -6.844 1.00 0.00 N ATOM 344 CA ALA A 25 -9.370 1.697 -6.521 1.00 0.00 C ATOM 345 C ALA A 25 -8.973 0.227 -6.380 1.00 0.00 C ATOM 346 O ALA A 25 -9.046 -0.338 -5.290 1.00 0.00 O ATOM 347 CB ALA A 25 -10.438 1.913 -7.595 1.00 0.00 C ATOM 0 H ALA A 25 -8.346 3.218 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.796 2.015 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.322 1.323 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.706 2.969 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.048 1.602 -8.564 1.00 0.00 H new ATOM 353 N ASN A 26 -8.560 -0.351 -7.499 1.00 0.00 N ATOM 354 CA ASN A 26 -8.151 -1.746 -7.514 1.00 0.00 C ATOM 355 C ASN A 26 -7.342 -2.049 -6.251 1.00 0.00 C ATOM 356 O ASN A 26 -7.608 -3.031 -5.560 1.00 0.00 O ATOM 357 CB ASN A 26 -7.267 -2.047 -8.725 1.00 0.00 C ATOM 358 CG ASN A 26 -8.055 -1.902 -10.029 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.769 -2.794 -10.455 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.885 -0.731 -10.636 1.00 0.00 N ATOM 0 H ASN A 26 -8.500 0.121 -8.401 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.050 -2.361 -7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.414 -1.369 -8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.869 -3.059 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.368 -0.536 -11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.272 -0.027 -10.224 1.00 0.00 H new ATOM 367 N LYS A 27 -6.370 -1.188 -5.988 1.00 0.00 N ATOM 368 CA LYS A 27 -5.520 -1.351 -4.821 1.00 0.00 C ATOM 369 C LYS A 27 -6.382 -1.301 -3.558 1.00 0.00 C ATOM 370 O LYS A 27 -6.289 -2.180 -2.703 1.00 0.00 O ATOM 371 CB LYS A 27 -4.388 -0.323 -4.834 1.00 0.00 C ATOM 372 CG LYS A 27 -3.560 -0.435 -6.116 1.00 0.00 C ATOM 373 CD LYS A 27 -2.901 0.901 -6.463 1.00 0.00 C ATOM 374 CE LYS A 27 -1.378 0.806 -6.355 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.810 0.193 -7.577 1.00 0.00 N ATOM 0 H LYS A 27 -6.152 -0.375 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.033 -2.326 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.803 0.681 -4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.745 -0.474 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.794 -1.201 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.199 -0.754 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.180 1.196 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.269 1.677 -5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.955 1.800 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.105 0.212 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.225 0.136 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.200 -0.763 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.055 0.775 -8.403 1.00 0.00 H new ATOM 389 N LEU A 28 -7.201 -0.262 -3.479 1.00 0.00 N ATOM 390 CA LEU A 28 -8.078 -0.086 -2.335 1.00 0.00 C ATOM 391 C LEU A 28 -8.930 -1.343 -2.152 1.00 0.00 C ATOM 392 O LEU A 28 -8.813 -2.035 -1.142 1.00 0.00 O ATOM 393 CB LEU A 28 -8.899 1.197 -2.482 1.00 0.00 C ATOM 394 CG LEU A 28 -9.549 1.728 -1.202 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.551 1.735 -0.043 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.169 3.107 -1.434 1.00 0.00 C ATOM 0 H LEU A 28 -7.275 0.466 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.494 0.039 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.251 1.975 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.683 1.021 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.359 1.054 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.038 2.117 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.198 0.720 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.704 2.373 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.624 3.462 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.394 3.806 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.931 3.037 -2.210 1.00 0.00 H new ATOM 408 N GLY A 29 -9.769 -1.601 -3.145 1.00 0.00 N ATOM 409 CA GLY A 29 -10.640 -2.763 -3.106 1.00 0.00 C ATOM 410 C GLY A 29 -11.809 -2.540 -2.145 1.00 0.00 C ATOM 411 O GLY A 29 -12.698 -1.735 -2.419 1.00 0.00 O ATOM 0 H GLY A 29 -9.864 -1.025 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.021 -2.970 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.070 -3.639 -2.794 1.00 0.00 H new ATOM 415 N GLU A 30 -11.771 -3.268 -1.038 1.00 0.00 N ATOM 416 CA GLU A 30 -12.817 -3.160 -0.035 1.00 0.00 C ATOM 417 C GLU A 30 -12.337 -2.309 1.142 1.00 0.00 C ATOM 418 O GLU A 30 -13.067 -2.118 2.114 1.00 0.00 O ATOM 419 CB GLU A 30 -13.269 -4.543 0.437 1.00 0.00 C ATOM 420 CG GLU A 30 -12.160 -5.243 1.226 1.00 0.00 C ATOM 421 CD GLU A 30 -12.734 -5.995 2.428 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.709 -5.474 3.011 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.185 -7.075 2.737 1.00 0.00 O ATOM 0 H GLU A 30 -11.032 -3.935 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.678 -2.668 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.158 -4.446 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.548 -5.152 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.630 -5.939 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.431 -4.508 1.567 1.00 0.00 H new ATOM 430 N GLN A 31 -11.112 -1.819 1.016 1.00 0.00 N ATOM 431 CA GLN A 31 -10.526 -0.993 2.058 1.00 0.00 C ATOM 432 C GLN A 31 -10.949 0.466 1.879 1.00 0.00 C ATOM 433 O GLN A 31 -10.446 1.352 2.569 1.00 0.00 O ATOM 434 CB GLN A 31 -9.001 -1.124 2.069 1.00 0.00 C ATOM 435 CG GLN A 31 -8.546 -2.143 3.116 1.00 0.00 C ATOM 436 CD GLN A 31 -7.787 -3.299 2.461 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.339 -3.220 1.329 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.667 -4.374 3.235 1.00 0.00 N ATOM 0 H GLN A 31 -10.510 -1.978 0.208 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.895 -1.343 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.652 -1.430 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.551 -0.154 2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.907 -1.654 3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.412 -2.530 3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.066 -4.374 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.176 -5.199 2.890 1.00 0.00 H new ATOM 447 N TRP A 32 -11.870 0.672 0.948 1.00 0.00 N ATOM 448 CA TRP A 32 -12.367 2.009 0.670 1.00 0.00 C ATOM 449 C TRP A 32 -13.155 2.484 1.892 1.00 0.00 C ATOM 450 O TRP A 32 -13.055 3.645 2.287 1.00 0.00 O ATOM 451 CB TRP A 32 -13.191 2.030 -0.619 1.00 0.00 C ATOM 452 CG TRP A 32 -14.553 1.344 -0.497 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.860 0.066 -0.761 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.788 1.955 -0.068 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.197 -0.190 -0.533 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.779 0.995 -0.099 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.059 3.275 0.334 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.108 1.253 0.260 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.391 3.516 0.689 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.401 2.561 0.664 1.00 0.00 C ATOM 0 H TRP A 32 -12.285 -0.065 0.377 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.542 2.700 0.499 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.343 3.065 -0.924 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.621 1.545 -1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.151 -0.670 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.671 -1.084 -0.660 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.299 4.042 0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.866 0.484 0.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.653 4.515 1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.407 2.827 0.955 1.00 0.00 H new ATOM 471 N LYS A 33 -13.922 1.563 2.457 1.00 0.00 N ATOM 472 CA LYS A 33 -14.727 1.874 3.626 1.00 0.00 C ATOM 473 C LYS A 33 -13.805 2.160 4.813 1.00 0.00 C ATOM 474 O LYS A 33 -14.256 2.640 5.852 1.00 0.00 O ATOM 475 CB LYS A 33 -15.741 0.759 3.889 1.00 0.00 C ATOM 476 CG LYS A 33 -17.086 1.337 4.337 1.00 0.00 C ATOM 477 CD LYS A 33 -18.172 0.259 4.339 1.00 0.00 C ATOM 478 CE LYS A 33 -19.246 0.565 5.384 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.371 -0.389 5.266 1.00 0.00 N ATOM 0 H LYS A 33 -14.003 0.601 2.127 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.316 2.775 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.879 0.167 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.357 0.086 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.989 1.762 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.377 2.150 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.628 0.196 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.724 -0.713 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.816 0.507 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.610 1.584 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.998 -0.290 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.907 -0.188 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.000 -1.360 5.228 1.00 0.00 H new ATOM 493 N ILE A 34 -12.531 1.852 4.620 1.00 0.00 N ATOM 494 CA ILE A 34 -11.542 2.070 5.662 1.00 0.00 C ATOM 495 C ILE A 34 -10.926 3.460 5.491 1.00 0.00 C ATOM 496 O ILE A 34 -10.436 4.048 6.454 1.00 0.00 O ATOM 497 CB ILE A 34 -10.513 0.938 5.669 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.181 -0.409 5.957 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.377 1.235 6.649 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.199 -1.563 5.750 1.00 0.00 C ATOM 0 H ILE A 34 -12.161 1.453 3.757 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.013 2.048 6.645 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.071 0.873 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.553 -0.423 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.043 -0.539 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.660 0.414 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.877 2.159 6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.783 1.344 7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.699 -2.508 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.847 -1.561 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.350 -1.443 6.423 1.00 0.00 H new ATOM 512 N LEU A 35 -10.971 3.945 4.259 1.00 0.00 N ATOM 513 CA LEU A 35 -10.423 5.255 3.951 1.00 0.00 C ATOM 514 C LEU A 35 -11.535 6.301 4.036 1.00 0.00 C ATOM 515 O LEU A 35 -11.263 7.500 4.079 1.00 0.00 O ATOM 516 CB LEU A 35 -9.704 5.230 2.600 1.00 0.00 C ATOM 517 CG LEU A 35 -8.176 5.178 2.654 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.563 5.700 1.354 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.645 5.925 3.879 1.00 0.00 C ATOM 0 H LEU A 35 -11.378 3.455 3.463 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.666 5.534 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.057 4.365 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.998 6.117 2.038 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.873 4.136 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.476 5.652 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.904 5.087 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.872 6.733 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.556 5.873 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.958 6.968 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.042 5.467 4.785 1.00 0.00 H new ATOM 531 N ALA A 36 -12.766 5.810 4.058 1.00 0.00 N ATOM 532 CA ALA A 36 -13.921 6.688 4.137 1.00 0.00 C ATOM 533 C ALA A 36 -13.848 7.504 5.429 1.00 0.00 C ATOM 534 O ALA A 36 -13.970 8.728 5.403 1.00 0.00 O ATOM 535 CB ALA A 36 -15.202 5.857 4.044 1.00 0.00 C ATOM 0 H ALA A 36 -12.988 4.815 4.022 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.927 7.390 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.068 6.516 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.219 5.320 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.233 5.142 4.867 1.00 0.00 H new ATOM 541 N PRO A 37 -13.644 6.774 6.559 1.00 0.00 N ATOM 542 CA PRO A 37 -13.554 7.417 7.859 1.00 0.00 C ATOM 543 C PRO A 37 -12.206 8.122 8.029 1.00 0.00 C ATOM 544 O PRO A 37 -11.940 8.715 9.073 1.00 0.00 O ATOM 545 CB PRO A 37 -13.771 6.300 8.866 1.00 0.00 C ATOM 546 CG PRO A 37 -13.513 5.005 8.114 1.00 0.00 C ATOM 547 CD PRO A 37 -13.495 5.324 6.628 1.00 0.00 C ATOM 0 HA PRO A 37 -14.296 8.204 7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.093 6.401 9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.785 6.325 9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.563 4.568 8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.289 4.273 8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.564 4.999 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.305 4.817 6.104 1.00 0.00 H new ATOM 555 N TYR A 38 -11.392 8.034 6.988 1.00 0.00 N ATOM 556 CA TYR A 38 -10.079 8.655 7.009 1.00 0.00 C ATOM 557 C TYR A 38 -9.942 9.684 5.885 1.00 0.00 C ATOM 558 O TYR A 38 -8.903 10.331 5.754 1.00 0.00 O ATOM 559 CB TYR A 38 -9.074 7.526 6.776 1.00 0.00 C ATOM 560 CG TYR A 38 -8.622 6.821 8.057 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.398 5.819 8.604 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.439 7.188 8.665 1.00 0.00 C ATOM 563 CE1 TYR A 38 -8.973 5.156 9.809 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.013 6.524 9.871 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.801 5.541 10.383 1.00 0.00 C ATOM 566 OH TYR A 38 -7.400 4.915 11.521 1.00 0.00 O ATOM 0 H TYR A 38 -11.617 7.541 6.124 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.914 9.172 7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.519 6.790 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.199 7.931 6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.324 5.532 8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.833 7.973 8.237 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.571 4.371 10.248 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.089 6.801 10.357 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.485 4.583 11.407 1.00 0.00 H new ATOM 576 N LEU A 39 -11.004 9.805 5.103 1.00 0.00 N ATOM 577 CA LEU A 39 -11.015 10.744 3.994 1.00 0.00 C ATOM 578 C LEU A 39 -11.977 11.890 4.312 1.00 0.00 C ATOM 579 O LEU A 39 -12.437 12.588 3.409 1.00 0.00 O ATOM 580 CB LEU A 39 -11.330 10.022 2.683 1.00 0.00 C ATOM 581 CG LEU A 39 -10.125 9.499 1.898 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.007 9.054 2.842 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.540 8.385 0.934 1.00 0.00 C ATOM 0 H LEU A 39 -11.864 9.268 5.215 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.027 11.185 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.987 9.181 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.888 10.703 2.041 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.730 10.316 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.163 8.687 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.687 9.899 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.374 8.258 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.665 8.031 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.975 7.559 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.276 8.770 0.228 1.00 0.00 H new ATOM 595 N GLU A 40 -12.253 12.049 5.598 1.00 0.00 N ATOM 596 CA GLU A 40 -13.152 13.099 6.046 1.00 0.00 C ATOM 597 C GLU A 40 -14.413 13.123 5.180 1.00 0.00 C ATOM 598 O GLU A 40 -14.813 14.177 4.688 1.00 0.00 O ATOM 599 CB GLU A 40 -12.454 14.461 6.036 1.00 0.00 C ATOM 600 CG GLU A 40 -11.990 14.828 4.625 1.00 0.00 C ATOM 601 CD GLU A 40 -11.497 16.275 4.569 1.00 0.00 C ATOM 602 OE1 GLU A 40 -10.333 16.494 4.971 1.00 0.00 O ATOM 603 OE2 GLU A 40 -12.294 17.130 4.127 1.00 0.00 O ATOM 0 H GLU A 40 -11.870 11.468 6.344 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.444 12.885 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.135 15.226 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.598 14.440 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.190 14.155 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.811 14.692 3.921 1.00 0.00 H new ATOM 610 N MET A 41 -15.005 11.948 5.021 1.00 0.00 N ATOM 611 CA MET A 41 -16.213 11.821 4.223 1.00 0.00 C ATOM 612 C MET A 41 -17.463 11.978 5.091 1.00 0.00 C ATOM 613 O MET A 41 -17.377 12.420 6.236 1.00 0.00 O ATOM 614 CB MET A 41 -16.233 10.452 3.541 1.00 0.00 C ATOM 615 CG MET A 41 -14.893 10.156 2.865 1.00 0.00 C ATOM 616 SD MET A 41 -14.445 11.502 1.783 1.00 0.00 S ATOM 617 CE MET A 41 -15.203 10.946 0.266 1.00 0.00 C ATOM 0 H MET A 41 -14.671 11.076 5.431 1.00 0.00 H new ATOM 0 HA MET A 41 -16.214 12.611 3.472 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.452 9.678 4.277 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.032 10.422 2.800 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.120 10.012 3.620 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.960 9.228 2.297 1.00 0.00 H new ATOM 0 HE1 MET A 41 -14.428 10.710 -0.463 1.00 0.00 H new ATOM 0 HE2 MET A 41 -15.800 10.055 0.463 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.845 11.733 -0.130 1.00 0.00 H new ATOM 627 N LYS A 42 -18.596 11.606 4.514 1.00 0.00 N ATOM 628 CA LYS A 42 -19.862 11.700 5.221 1.00 0.00 C ATOM 629 C LYS A 42 -20.531 10.324 5.245 1.00 0.00 C ATOM 630 O LYS A 42 -20.439 9.568 4.279 1.00 0.00 O ATOM 631 CB LYS A 42 -20.736 12.798 4.611 1.00 0.00 C ATOM 632 CG LYS A 42 -20.045 14.160 4.697 1.00 0.00 C ATOM 633 CD LYS A 42 -20.399 14.874 6.003 1.00 0.00 C ATOM 634 CE LYS A 42 -19.544 16.128 6.192 1.00 0.00 C ATOM 635 NZ LYS A 42 -20.401 17.330 6.296 1.00 0.00 N ATOM 0 H LYS A 42 -18.664 11.239 3.565 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.699 11.994 6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -20.950 12.560 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.692 12.838 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.965 14.028 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.343 14.777 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.454 15.147 5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.249 14.197 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.936 16.029 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.856 16.236 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.804 18.172 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -20.962 17.432 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.040 17.231 7.111 1.00 0.00 H new ATOM 649 N ASP A 43 -21.189 10.041 6.359 1.00 0.00 N ATOM 650 CA ASP A 43 -21.873 8.769 6.522 1.00 0.00 C ATOM 651 C ASP A 43 -22.733 8.496 5.287 1.00 0.00 C ATOM 652 O ASP A 43 -22.760 7.375 4.780 1.00 0.00 O ATOM 653 CB ASP A 43 -22.793 8.791 7.744 1.00 0.00 C ATOM 654 CG ASP A 43 -23.669 10.038 7.872 1.00 0.00 C ATOM 655 OD1 ASP A 43 -23.083 11.127 8.055 1.00 0.00 O ATOM 656 OD2 ASP A 43 -24.905 9.875 7.783 1.00 0.00 O ATOM 0 H ASP A 43 -21.263 10.671 7.158 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.118 7.994 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.439 7.914 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.182 8.701 8.642 1.00 0.00 H new ATOM 661 N SER A 44 -23.416 9.539 4.838 1.00 0.00 N ATOM 662 CA SER A 44 -24.275 9.426 3.672 1.00 0.00 C ATOM 663 C SER A 44 -23.447 9.027 2.449 1.00 0.00 C ATOM 664 O SER A 44 -23.868 8.184 1.658 1.00 0.00 O ATOM 665 CB SER A 44 -25.018 10.737 3.406 1.00 0.00 C ATOM 666 OG SER A 44 -24.418 11.837 4.083 1.00 0.00 O ATOM 0 H SER A 44 -23.392 10.467 5.261 1.00 0.00 H new ATOM 0 HA SER A 44 -25.018 8.653 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.032 10.935 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 44 -26.055 10.637 3.725 1.00 0.00 H new ATOM 0 HG SER A 44 -24.920 12.655 3.887 1.00 0.00 H new ATOM 672 N GLU A 45 -22.285 9.652 2.331 1.00 0.00 N ATOM 673 CA GLU A 45 -21.394 9.373 1.218 1.00 0.00 C ATOM 674 C GLU A 45 -21.058 7.882 1.168 1.00 0.00 C ATOM 675 O GLU A 45 -21.239 7.235 0.138 1.00 0.00 O ATOM 676 CB GLU A 45 -20.123 10.220 1.307 1.00 0.00 C ATOM 677 CG GLU A 45 -20.192 11.414 0.353 1.00 0.00 C ATOM 678 CD GLU A 45 -19.727 11.023 -1.051 1.00 0.00 C ATOM 679 OE1 GLU A 45 -20.448 10.222 -1.685 1.00 0.00 O ATOM 680 OE2 GLU A 45 -18.661 11.532 -1.459 1.00 0.00 O ATOM 0 H GLU A 45 -21.940 10.351 2.988 1.00 0.00 H new ATOM 0 HA GLU A 45 -21.905 9.641 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.988 10.574 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.255 9.606 1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.214 11.790 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.570 12.224 0.733 1.00 0.00 H new ATOM 687 N ILE A 46 -20.574 7.379 2.294 1.00 0.00 N ATOM 688 CA ILE A 46 -20.210 5.976 2.393 1.00 0.00 C ATOM 689 C ILE A 46 -21.371 5.116 1.888 1.00 0.00 C ATOM 690 O ILE A 46 -21.162 4.160 1.143 1.00 0.00 O ATOM 691 CB ILE A 46 -19.766 5.636 3.817 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.548 6.467 4.225 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.512 4.135 3.968 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.299 6.372 5.732 1.00 0.00 C ATOM 0 H ILE A 46 -20.425 7.919 3.147 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.352 5.759 1.757 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.576 5.896 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.668 6.118 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.703 7.509 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.198 3.920 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.428 3.587 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.729 3.827 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.428 6.972 5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.171 6.744 6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.120 5.332 6.006 1.00 0.00 H new ATOM 706 N ARG A 47 -22.569 5.488 2.314 1.00 0.00 N ATOM 707 CA ARG A 47 -23.763 4.762 1.915 1.00 0.00 C ATOM 708 C ARG A 47 -24.058 5.000 0.433 1.00 0.00 C ATOM 709 O ARG A 47 -24.230 4.050 -0.329 1.00 0.00 O ATOM 710 CB ARG A 47 -24.973 5.195 2.745 1.00 0.00 C ATOM 711 CG ARG A 47 -25.003 4.470 4.091 1.00 0.00 C ATOM 712 CD ARG A 47 -24.488 5.374 5.213 1.00 0.00 C ATOM 713 NE ARG A 47 -25.071 4.956 6.508 1.00 0.00 N ATOM 714 CZ ARG A 47 -26.267 5.358 6.958 1.00 0.00 C ATOM 715 NH1 ARG A 47 -27.016 6.190 6.220 1.00 0.00 N ATOM 716 NH2 ARG A 47 -26.716 4.928 8.145 1.00 0.00 N ATOM 0 H ARG A 47 -22.739 6.282 2.931 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.580 3.701 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.939 6.272 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.890 4.985 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -26.021 4.152 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.392 3.569 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -23.400 5.324 5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -24.750 6.411 5.005 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.528 4.322 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.675 6.517 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -27.927 6.496 6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.147 4.294 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.627 5.234 8.487 1.00 0.00 H new ATOM 730 N GLN A 48 -24.106 6.273 0.069 1.00 0.00 N ATOM 731 CA GLN A 48 -24.377 6.647 -1.309 1.00 0.00 C ATOM 732 C GLN A 48 -23.570 5.769 -2.266 1.00 0.00 C ATOM 733 O GLN A 48 -24.119 5.208 -3.213 1.00 0.00 O ATOM 734 CB GLN A 48 -24.080 8.130 -1.543 1.00 0.00 C ATOM 735 CG GLN A 48 -23.831 8.412 -3.026 1.00 0.00 C ATOM 736 CD GLN A 48 -25.093 8.155 -3.852 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.066 8.889 -3.792 1.00 0.00 O ATOM 738 NE2 GLN A 48 -25.023 7.075 -4.625 1.00 0.00 N ATOM 0 H GLN A 48 -23.962 7.058 0.704 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.437 6.487 -1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.917 8.732 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.207 8.426 -0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.512 9.446 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.020 7.781 -3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.178 6.504 -4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.814 6.818 -5.215 1.00 0.00 H new ATOM 747 N ILE A 49 -22.278 5.676 -1.987 1.00 0.00 N ATOM 748 CA ILE A 49 -21.389 4.875 -2.811 1.00 0.00 C ATOM 749 C ILE A 49 -21.842 3.414 -2.772 1.00 0.00 C ATOM 750 O ILE A 49 -22.239 2.856 -3.793 1.00 0.00 O ATOM 751 CB ILE A 49 -19.934 5.079 -2.385 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.454 6.491 -2.730 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.030 4.003 -2.989 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.438 6.991 -1.702 1.00 0.00 C ATOM 0 H ILE A 49 -21.825 6.143 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.441 5.198 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.878 4.976 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.004 6.493 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.306 7.170 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.001 4.171 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.358 3.020 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.085 4.050 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.113 7.996 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.899 7.010 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.577 6.323 -1.687 1.00 0.00 H new ATOM 766 N GLU A 50 -21.768 2.837 -1.582 1.00 0.00 N ATOM 767 CA GLU A 50 -22.165 1.452 -1.396 1.00 0.00 C ATOM 768 C GLU A 50 -23.399 1.135 -2.244 1.00 0.00 C ATOM 769 O GLU A 50 -23.457 0.095 -2.897 1.00 0.00 O ATOM 770 CB GLU A 50 -22.422 1.149 0.081 1.00 0.00 C ATOM 771 CG GLU A 50 -21.254 0.373 0.694 1.00 0.00 C ATOM 772 CD GLU A 50 -21.746 -0.604 1.764 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.312 -0.113 2.764 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.544 -1.820 1.557 1.00 0.00 O ATOM 0 H GLU A 50 -21.439 3.304 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.347 0.812 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.570 2.081 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.340 0.571 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.726 -0.174 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.540 1.070 1.133 1.00 0.00 H new ATOM 781 N CYS A 51 -24.355 2.052 -2.205 1.00 0.00 N ATOM 782 CA CYS A 51 -25.584 1.883 -2.961 1.00 0.00 C ATOM 783 C CYS A 51 -25.274 2.119 -4.441 1.00 0.00 C ATOM 784 O CYS A 51 -25.641 1.310 -5.292 1.00 0.00 O ATOM 785 CB CYS A 51 -26.691 2.811 -2.456 1.00 0.00 C ATOM 786 SG CYS A 51 -28.301 1.942 -2.492 1.00 0.00 S ATOM 0 H CYS A 51 -24.303 2.914 -1.662 1.00 0.00 H new ATOM 0 HA CYS A 51 -25.960 0.869 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.468 3.138 -1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.738 3.706 -3.076 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.233 2.738 -2.059 1.00 0.00 H new ATOM 792 N ASP A 52 -24.600 3.229 -4.702 1.00 0.00 N ATOM 793 CA ASP A 52 -24.236 3.581 -6.064 1.00 0.00 C ATOM 794 C ASP A 52 -23.803 2.319 -6.813 1.00 0.00 C ATOM 795 O ASP A 52 -24.387 1.971 -7.838 1.00 0.00 O ATOM 796 CB ASP A 52 -23.066 4.567 -6.084 1.00 0.00 C ATOM 797 CG ASP A 52 -23.150 5.647 -7.165 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.723 5.338 -8.232 1.00 0.00 O ATOM 799 OD2 ASP A 52 -22.638 6.756 -6.900 1.00 0.00 O ATOM 0 H ASP A 52 -24.296 3.897 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.104 4.041 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.003 5.053 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.141 4.007 -6.222 1.00 0.00 H new ATOM 804 N SER A 53 -22.783 1.669 -6.273 1.00 0.00 N ATOM 805 CA SER A 53 -22.265 0.454 -6.878 1.00 0.00 C ATOM 806 C SER A 53 -22.181 -0.658 -5.830 1.00 0.00 C ATOM 807 O SER A 53 -21.847 -0.401 -4.674 1.00 0.00 O ATOM 808 CB SER A 53 -20.892 0.694 -7.509 1.00 0.00 C ATOM 809 OG SER A 53 -20.888 1.837 -8.360 1.00 0.00 O ATOM 0 H SER A 53 -22.301 1.961 -5.423 1.00 0.00 H new ATOM 0 HA SER A 53 -22.949 0.148 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.149 0.825 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.597 -0.185 -8.082 1.00 0.00 H new ATOM 0 HG SER A 53 -20.342 1.653 -9.153 1.00 0.00 H new ATOM 815 N GLU A 54 -22.488 -1.868 -6.272 1.00 0.00 N ATOM 816 CA GLU A 54 -22.451 -3.020 -5.386 1.00 0.00 C ATOM 817 C GLU A 54 -21.028 -3.574 -5.296 1.00 0.00 C ATOM 818 O GLU A 54 -20.601 -4.028 -4.236 1.00 0.00 O ATOM 819 CB GLU A 54 -23.432 -4.099 -5.848 1.00 0.00 C ATOM 820 CG GLU A 54 -24.165 -4.721 -4.658 1.00 0.00 C ATOM 821 CD GLU A 54 -24.617 -6.147 -4.976 1.00 0.00 C ATOM 822 OE1 GLU A 54 -23.741 -6.944 -5.376 1.00 0.00 O ATOM 823 OE2 GLU A 54 -25.829 -6.408 -4.813 1.00 0.00 O ATOM 0 H GLU A 54 -22.764 -2.076 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.759 -2.699 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.155 -3.666 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.894 -4.874 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.510 -4.729 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.030 -4.111 -4.400 1.00 0.00 H new ATOM 830 N ASP A 55 -20.333 -3.520 -6.423 1.00 0.00 N ATOM 831 CA ASP A 55 -18.967 -4.011 -6.485 1.00 0.00 C ATOM 832 C ASP A 55 -18.088 -3.180 -5.548 1.00 0.00 C ATOM 833 O ASP A 55 -18.438 -2.053 -5.199 1.00 0.00 O ATOM 834 CB ASP A 55 -18.401 -3.886 -7.900 1.00 0.00 C ATOM 835 CG ASP A 55 -18.184 -5.214 -8.629 1.00 0.00 C ATOM 836 OD1 ASP A 55 -17.516 -6.086 -8.033 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.690 -5.326 -9.766 1.00 0.00 O ATOM 0 H ASP A 55 -20.691 -3.143 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.972 -5.060 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -19.077 -3.270 -8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.449 -3.357 -7.849 1.00 0.00 H new ATOM 842 N MET A 56 -16.963 -3.767 -5.168 1.00 0.00 N ATOM 843 CA MET A 56 -16.031 -3.095 -4.279 1.00 0.00 C ATOM 844 C MET A 56 -15.182 -2.076 -5.043 1.00 0.00 C ATOM 845 O MET A 56 -15.140 -0.901 -4.681 1.00 0.00 O ATOM 846 CB MET A 56 -15.117 -4.129 -3.620 1.00 0.00 C ATOM 847 CG MET A 56 -15.668 -4.561 -2.260 1.00 0.00 C ATOM 848 SD MET A 56 -17.290 -5.280 -2.459 1.00 0.00 S ATOM 849 CE MET A 56 -18.210 -4.300 -1.284 1.00 0.00 C ATOM 0 H MET A 56 -16.676 -4.701 -5.460 1.00 0.00 H new ATOM 0 HA MET A 56 -16.603 -2.565 -3.517 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.019 -4.999 -4.269 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.119 -3.710 -3.495 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.995 -5.284 -1.799 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.721 -3.702 -1.591 1.00 0.00 H new ATOM 0 HE1 MET A 56 -19.271 -4.340 -1.529 1.00 0.00 H new ATOM 0 HE2 MET A 56 -18.054 -4.694 -0.280 1.00 0.00 H new ATOM 0 HE3 MET A 56 -17.867 -3.266 -1.325 1.00 0.00 H new ATOM 859 N LYS A 57 -14.527 -2.564 -6.086 1.00 0.00 N ATOM 860 CA LYS A 57 -13.682 -1.711 -6.905 1.00 0.00 C ATOM 861 C LYS A 57 -14.406 -0.390 -7.174 1.00 0.00 C ATOM 862 O LYS A 57 -13.856 0.684 -6.935 1.00 0.00 O ATOM 863 CB LYS A 57 -13.249 -2.445 -8.175 1.00 0.00 C ATOM 864 CG LYS A 57 -12.240 -3.550 -7.853 1.00 0.00 C ATOM 865 CD LYS A 57 -11.918 -4.378 -9.098 1.00 0.00 C ATOM 866 CE LYS A 57 -12.217 -5.860 -8.863 1.00 0.00 C ATOM 867 NZ LYS A 57 -13.657 -6.137 -9.063 1.00 0.00 N ATOM 0 H LYS A 57 -14.564 -3.539 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.760 -1.468 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.122 -2.876 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.807 -1.737 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.325 -3.108 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.642 -4.199 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.504 -4.015 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.868 -4.252 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.625 -6.469 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.924 -6.140 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.842 -7.147 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.216 -5.570 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.926 -5.889 -10.036 1.00 0.00 H new ATOM 881 N MET A 58 -15.629 -0.513 -7.669 1.00 0.00 N ATOM 882 CA MET A 58 -16.434 0.657 -7.974 1.00 0.00 C ATOM 883 C MET A 58 -16.558 1.571 -6.753 1.00 0.00 C ATOM 884 O MET A 58 -16.218 2.751 -6.819 1.00 0.00 O ATOM 885 CB MET A 58 -17.828 0.215 -8.424 1.00 0.00 C ATOM 886 CG MET A 58 -17.841 -0.124 -9.916 1.00 0.00 C ATOM 887 SD MET A 58 -18.727 1.135 -10.820 1.00 0.00 S ATOM 888 CE MET A 58 -17.713 2.556 -10.447 1.00 0.00 C ATOM 0 H MET A 58 -16.082 -1.405 -7.866 1.00 0.00 H new ATOM 0 HA MET A 58 -15.944 1.213 -8.773 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.141 -0.655 -7.847 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.548 1.008 -8.221 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.820 -0.200 -10.289 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.311 -1.095 -10.073 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.018 3.395 -11.073 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.834 2.824 -9.397 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.667 2.318 -10.643 1.00 0.00 H new ATOM 898 N ARG A 59 -17.045 0.990 -5.666 1.00 0.00 N ATOM 899 CA ARG A 59 -17.217 1.737 -4.432 1.00 0.00 C ATOM 900 C ARG A 59 -15.926 2.476 -4.073 1.00 0.00 C ATOM 901 O ARG A 59 -15.962 3.639 -3.676 1.00 0.00 O ATOM 902 CB ARG A 59 -17.604 0.812 -3.277 1.00 0.00 C ATOM 903 CG ARG A 59 -19.013 0.249 -3.474 1.00 0.00 C ATOM 904 CD ARG A 59 -19.279 -0.912 -2.514 1.00 0.00 C ATOM 905 NE ARG A 59 -20.713 -1.277 -2.545 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.307 -2.068 -1.641 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.595 -2.582 -0.630 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.614 -2.345 -1.749 1.00 0.00 N ATOM 0 H ARG A 59 -17.326 0.011 -5.615 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.020 2.457 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.888 -0.007 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.556 1.360 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.749 1.036 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.132 -0.091 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.670 -1.772 -2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.989 -0.631 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.285 -0.903 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.600 -2.371 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.047 -3.184 0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.156 -1.954 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.066 -2.947 -1.061 1.00 0.00 H new ATOM 922 N ALA A 60 -14.816 1.769 -4.227 1.00 0.00 N ATOM 923 CA ALA A 60 -13.516 2.343 -3.925 1.00 0.00 C ATOM 924 C ALA A 60 -13.257 3.530 -4.856 1.00 0.00 C ATOM 925 O ALA A 60 -12.882 4.609 -4.402 1.00 0.00 O ATOM 926 CB ALA A 60 -12.439 1.262 -4.046 1.00 0.00 C ATOM 0 H ALA A 60 -14.790 0.804 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.491 2.716 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.464 1.693 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.652 0.456 -3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.433 0.866 -5.061 1.00 0.00 H new ATOM 932 N LYS A 61 -13.469 3.289 -6.141 1.00 0.00 N ATOM 933 CA LYS A 61 -13.264 4.324 -7.140 1.00 0.00 C ATOM 934 C LYS A 61 -14.166 5.518 -6.823 1.00 0.00 C ATOM 935 O LYS A 61 -13.678 6.612 -6.541 1.00 0.00 O ATOM 936 CB LYS A 61 -13.465 3.758 -8.547 1.00 0.00 C ATOM 937 CG LYS A 61 -12.973 4.743 -9.610 1.00 0.00 C ATOM 938 CD LYS A 61 -13.871 4.707 -10.848 1.00 0.00 C ATOM 939 CE LYS A 61 -13.290 5.567 -11.972 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.353 5.972 -12.918 1.00 0.00 N ATOM 0 H LYS A 61 -13.781 2.392 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.236 4.684 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.927 2.815 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.521 3.541 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.957 5.752 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.949 4.498 -9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.981 3.679 -11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.868 5.065 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.813 6.452 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.517 5.010 -12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.941 6.555 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.790 5.124 -13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.077 6.522 -12.412 1.00 0.00 H new ATOM 954 N GLN A 62 -15.466 5.269 -6.880 1.00 0.00 N ATOM 955 CA GLN A 62 -16.441 6.310 -6.602 1.00 0.00 C ATOM 956 C GLN A 62 -15.966 7.186 -5.441 1.00 0.00 C ATOM 957 O GLN A 62 -16.110 8.407 -5.481 1.00 0.00 O ATOM 958 CB GLN A 62 -17.817 5.709 -6.308 1.00 0.00 C ATOM 959 CG GLN A 62 -18.561 5.384 -7.605 1.00 0.00 C ATOM 960 CD GLN A 62 -19.014 6.663 -8.313 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.234 7.372 -8.927 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.313 6.918 -8.192 1.00 0.00 N ATOM 0 H GLN A 62 -15.867 4.361 -7.115 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.537 6.936 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.703 4.803 -5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.404 6.409 -5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.913 4.808 -8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.427 4.760 -7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.910 6.282 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -20.712 7.749 -8.628 1.00 0.00 H new ATOM 971 N LEU A 63 -15.409 6.528 -4.435 1.00 0.00 N ATOM 972 CA LEU A 63 -14.912 7.231 -3.265 1.00 0.00 C ATOM 973 C LEU A 63 -13.793 8.186 -3.686 1.00 0.00 C ATOM 974 O LEU A 63 -13.897 9.396 -3.489 1.00 0.00 O ATOM 975 CB LEU A 63 -14.496 6.237 -2.178 1.00 0.00 C ATOM 976 CG LEU A 63 -13.667 6.810 -1.027 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.526 7.688 -0.116 1.00 0.00 C ATOM 978 CD2 LEU A 63 -12.962 5.695 -0.252 1.00 0.00 C ATOM 0 H LEU A 63 -15.291 5.515 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.701 7.839 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.397 5.786 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.926 5.435 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.891 7.449 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.912 8.082 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.941 8.515 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.339 7.094 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.379 6.129 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.705 5.011 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.298 5.149 -0.923 1.00 0.00 H new ATOM 990 N LEU A 64 -12.748 7.606 -4.258 1.00 0.00 N ATOM 991 CA LEU A 64 -11.611 8.390 -4.709 1.00 0.00 C ATOM 992 C LEU A 64 -12.112 9.595 -5.508 1.00 0.00 C ATOM 993 O LEU A 64 -11.579 10.695 -5.378 1.00 0.00 O ATOM 994 CB LEU A 64 -10.624 7.509 -5.478 1.00 0.00 C ATOM 995 CG LEU A 64 -9.755 6.578 -4.631 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.065 6.742 -3.142 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.899 5.125 -5.089 1.00 0.00 C ATOM 0 H LEU A 64 -12.665 6.602 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.056 8.781 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.186 6.903 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.968 8.156 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.712 6.860 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.433 6.069 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.870 7.771 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.113 6.503 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.271 4.484 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.939 4.815 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.590 5.039 -6.131 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.131 9.345 -6.317 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.710 10.396 -7.137 1.00 0.00 C ATOM 1011 C VAL A 65 -14.292 11.482 -6.230 1.00 0.00 C ATOM 1012 O VAL A 65 -13.923 12.650 -6.338 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.743 9.802 -8.097 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.134 10.813 -9.176 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.226 8.504 -8.722 1.00 0.00 C ATOM 0 H VAL A 65 -13.570 8.431 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.944 10.864 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.638 9.564 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.869 10.365 -9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.562 11.699 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.250 11.096 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.979 8.102 -9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.309 8.707 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.021 7.778 -7.935 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.193 11.058 -5.356 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.830 11.980 -4.431 1.00 0.00 C ATOM 1027 C ALA A 66 -14.759 12.662 -3.578 1.00 0.00 C ATOM 1028 O ALA A 66 -14.812 13.871 -3.359 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.856 11.225 -3.583 1.00 0.00 C ATOM 0 H ALA A 66 -15.497 10.088 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.365 12.759 -4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.334 11.916 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.611 10.784 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.355 10.436 -3.022 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.811 11.858 -3.121 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.728 12.369 -2.298 1.00 0.00 C ATOM 1037 C TRP A 67 -11.897 13.328 -3.152 1.00 0.00 C ATOM 1038 O TRP A 67 -11.249 14.232 -2.625 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.901 11.225 -1.707 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.539 11.659 -1.161 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.268 12.229 0.020 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.266 11.533 -1.829 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.918 12.479 0.163 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.290 12.042 -0.997 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.949 11.006 -3.093 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.932 12.075 -1.339 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.589 11.046 -3.420 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.594 11.556 -2.594 1.00 0.00 C ATOM 0 H TRP A 67 -13.770 10.856 -3.305 1.00 0.00 H new ATOM 0 HA TRP A 67 -13.121 12.917 -1.441 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.470 10.756 -0.904 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.748 10.466 -2.475 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -11.012 12.464 0.767 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.465 12.906 0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.697 10.602 -3.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.186 12.479 -0.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.292 10.653 -4.381 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.564 11.552 -2.919 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.942 13.100 -4.456 1.00 0.00 N ATOM 1060 CA GLN A 68 -11.201 13.933 -5.388 1.00 0.00 C ATOM 1061 C GLN A 68 -12.034 15.153 -5.787 1.00 0.00 C ATOM 1062 O GLN A 68 -11.488 16.166 -6.222 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.777 13.132 -6.620 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.964 13.999 -7.584 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.190 13.134 -8.581 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -8.394 12.234 -8.011 1.00 0.00 O flip ATOM 1067 NE2 GLN A 68 -9.308 13.274 -9.787 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.480 12.350 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.295 14.282 -4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.184 12.271 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.660 12.746 -7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.630 14.673 -8.123 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.269 14.621 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.938 13.985 -10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.777 12.680 -10.424 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.342 15.016 -5.624 1.00 0.00 N ATOM 1077 CA ASP A 69 -14.255 16.094 -5.962 1.00 0.00 C ATOM 1078 C ASP A 69 -14.435 17.004 -4.745 1.00 0.00 C ATOM 1079 O ASP A 69 -14.675 18.202 -4.891 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.630 15.550 -6.353 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.301 16.268 -7.525 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.791 17.348 -7.896 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.308 15.721 -8.025 1.00 0.00 O ATOM 0 H ASP A 69 -13.791 14.175 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.832 16.642 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.528 14.494 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.288 15.610 -5.486 1.00 0.00 H new ATOM 1088 N GLN A 70 -14.313 16.400 -3.572 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.460 17.141 -2.330 1.00 0.00 C ATOM 1090 C GLN A 70 -13.190 17.942 -2.037 1.00 0.00 C ATOM 1091 O GLN A 70 -13.260 19.125 -1.706 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.797 16.204 -1.169 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.547 15.477 -0.671 1.00 0.00 C ATOM 1094 CD GLN A 70 -13.899 14.469 0.426 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -14.984 13.913 0.469 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -12.924 14.266 1.307 1.00 0.00 N ATOM 0 H GLN A 70 -14.114 15.406 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.289 17.839 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.239 16.775 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.542 15.476 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.066 14.962 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.829 16.202 -0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.039 14.765 1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.061 13.612 2.077 1.00 0.00 H new ATOM 1105 N GLU A 71 -12.058 17.266 -2.170 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.774 17.900 -1.923 1.00 0.00 C ATOM 1107 C GLU A 71 -10.385 18.788 -3.107 1.00 0.00 C ATOM 1108 O GLU A 71 -9.882 19.895 -2.918 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.692 16.856 -1.642 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.622 16.527 -0.149 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.951 17.660 0.631 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -9.636 18.683 0.846 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -7.769 17.477 0.993 1.00 0.00 O ATOM 0 H GLU A 71 -12.003 16.285 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.865 18.528 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.901 15.949 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.725 17.228 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.627 16.360 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.066 15.601 -0.003 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.633 18.270 -4.301 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.314 19.003 -5.515 1.00 0.00 C ATOM 1122 C GLY A 72 -8.884 18.710 -5.972 1.00 0.00 C ATOM 1123 O GLY A 72 -8.641 17.732 -6.677 1.00 0.00 O ATOM 0 H GLY A 72 -11.051 17.352 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.015 18.730 -6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.432 20.072 -5.340 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.973 19.577 -5.552 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.574 19.424 -5.910 1.00 0.00 C ATOM 1129 C VAL A 73 -5.805 18.859 -4.714 1.00 0.00 C ATOM 1130 O VAL A 73 -4.695 18.352 -4.869 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.012 20.758 -6.406 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.075 21.551 -7.168 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.442 21.578 -5.247 1.00 0.00 C ATOM 0 H VAL A 73 -8.178 20.387 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.465 18.715 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.196 20.542 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.650 22.495 -7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.413 20.973 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.921 21.751 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.049 22.521 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.230 21.779 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.640 21.019 -4.765 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.425 18.966 -3.548 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.813 18.472 -2.327 1.00 0.00 C ATOM 1145 C HIS A 74 -5.811 16.942 -2.336 1.00 0.00 C ATOM 1146 O HIS A 74 -5.133 16.314 -1.525 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.509 19.056 -1.096 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.471 20.564 -1.027 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.713 21.254 -0.096 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -7.103 21.507 -1.783 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.890 22.552 -0.292 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.752 22.707 -1.337 1.00 0.00 N ATOM 0 H HIS A 74 -7.345 19.388 -3.423 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.775 18.802 -2.277 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.549 18.728 -1.089 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.041 18.650 -0.200 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.775 21.311 -2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.432 23.348 0.276 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.074 23.598 -1.714 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.579 16.387 -3.262 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.674 14.942 -3.388 1.00 0.00 C ATOM 1162 C ALA A 75 -5.408 14.409 -4.061 1.00 0.00 C ATOM 1163 O ALA A 75 -5.437 14.022 -5.228 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.943 14.580 -4.162 1.00 0.00 C ATOM 0 H ALA A 75 -7.141 16.912 -3.932 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.747 14.475 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.015 13.497 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.815 14.956 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.905 15.029 -5.154 1.00 0.00 H new ATOM 1170 N THR A 76 -4.326 14.405 -3.296 1.00 0.00 N ATOM 1171 CA THR A 76 -3.052 13.925 -3.804 1.00 0.00 C ATOM 1172 C THR A 76 -2.801 12.488 -3.342 1.00 0.00 C ATOM 1173 O THR A 76 -3.416 12.024 -2.383 1.00 0.00 O ATOM 1174 CB THR A 76 -1.966 14.905 -3.357 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.093 14.941 -1.938 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.258 16.342 -3.794 1.00 0.00 C ATOM 0 H THR A 76 -4.305 14.727 -2.328 1.00 0.00 H new ATOM 0 HA THR A 76 -3.049 13.888 -4.893 1.00 0.00 H new ATOM 0 HB THR A 76 -1.004 14.591 -3.763 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.461 15.807 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.457 16.996 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.322 16.386 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.203 16.669 -3.361 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.873 11.806 -4.065 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.533 10.431 -3.740 1.00 0.00 C ATOM 1186 C PRO A 77 -0.657 10.365 -2.487 1.00 0.00 C ATOM 1187 O PRO A 77 -0.709 9.389 -1.739 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.839 9.893 -4.980 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.401 11.113 -5.775 1.00 0.00 C ATOM 1190 CD PRO A 77 -1.126 12.323 -5.207 1.00 0.00 C ATOM 0 HA PRO A 77 -2.407 9.827 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.017 9.274 -4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.513 9.267 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.678 11.247 -5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.639 10.986 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.423 13.098 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.791 12.769 -5.946 1.00 0.00 H new ATOM 1198 N GLU A 78 0.128 11.415 -2.297 1.00 0.00 N ATOM 1199 CA GLU A 78 1.015 11.488 -1.148 1.00 0.00 C ATOM 1200 C GLU A 78 0.205 11.678 0.136 1.00 0.00 C ATOM 1201 O GLU A 78 0.659 11.314 1.220 1.00 0.00 O ATOM 1202 CB GLU A 78 2.042 12.609 -1.319 1.00 0.00 C ATOM 1203 CG GLU A 78 3.226 12.417 -0.369 1.00 0.00 C ATOM 1204 CD GLU A 78 3.532 13.708 0.393 1.00 0.00 C ATOM 1205 OE1 GLU A 78 3.330 14.784 -0.209 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.961 13.589 1.561 1.00 0.00 O ATOM 0 H GLU A 78 0.168 12.222 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 78 1.561 10.548 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.397 12.628 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.570 13.572 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.004 11.617 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.105 12.108 -0.935 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.980 12.247 -0.029 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.857 12.490 1.104 1.00 0.00 C ATOM 1215 C ASN A 79 -2.657 11.220 1.405 1.00 0.00 C ATOM 1216 O ASN A 79 -2.723 10.781 2.552 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.850 13.613 0.801 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.151 14.974 0.788 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -2.887 15.956 0.275 1.00 0.00 O flip ATOM 1220 ND2 ASN A 79 -1.018 15.123 1.216 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.353 12.547 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.238 12.776 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.323 13.434 -0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.643 13.614 1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.508 14.326 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.581 16.044 1.193 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.245 10.667 0.355 1.00 0.00 N ATOM 1228 CA LEU A 80 -4.038 9.457 0.492 1.00 0.00 C ATOM 1229 C LEU A 80 -3.199 8.378 1.179 1.00 0.00 C ATOM 1230 O LEU A 80 -3.640 7.768 2.151 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.601 9.028 -0.865 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.826 8.113 -0.823 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.877 8.646 0.152 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.400 7.902 -2.226 1.00 0.00 C ATOM 0 H LEU A 80 -3.188 11.034 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.905 9.640 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.861 9.924 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.812 8.520 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.511 7.137 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.737 7.976 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.449 8.702 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.195 9.640 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.270 7.248 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.696 8.863 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.644 7.444 -2.864 1.00 0.00 H new ATOM 1246 N ILE A 81 -2.003 8.175 0.645 1.00 0.00 N ATOM 1247 CA ILE A 81 -1.098 7.179 1.194 1.00 0.00 C ATOM 1248 C ILE A 81 -0.938 7.416 2.698 1.00 0.00 C ATOM 1249 O ILE A 81 -0.882 6.466 3.477 1.00 0.00 O ATOM 1250 CB ILE A 81 0.226 7.178 0.428 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.040 6.626 -0.987 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.307 6.420 1.201 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.325 6.770 -1.805 1.00 0.00 C ATOM 0 H ILE A 81 -1.640 8.683 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.512 6.178 1.070 1.00 0.00 H new ATOM 0 HB ILE A 81 0.564 8.210 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.247 5.576 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.773 7.156 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.238 6.435 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.464 6.896 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.990 5.388 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.166 6.370 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.596 7.823 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.130 6.219 -1.318 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.869 8.689 3.060 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.717 9.062 4.456 1.00 0.00 C ATOM 1267 C ASN A 82 -1.902 8.519 5.257 1.00 0.00 C ATOM 1268 O ASN A 82 -1.716 7.876 6.288 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.692 10.583 4.619 1.00 0.00 C ATOM 1270 CG ASN A 82 0.580 11.037 5.338 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.656 11.102 4.768 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.396 11.347 6.619 1.00 0.00 N ATOM 0 H ASN A 82 -0.916 9.474 2.411 1.00 0.00 H new ATOM 0 HA ASN A 82 0.223 8.645 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.750 11.058 3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.567 10.906 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.184 11.662 7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.533 11.270 7.034 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.094 8.799 4.751 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.310 8.347 5.407 1.00 0.00 C ATOM 1281 C ALA A 83 -4.295 6.820 5.503 1.00 0.00 C ATOM 1282 O ALA A 83 -4.622 6.257 6.546 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.527 8.872 4.644 1.00 0.00 C ATOM 0 H ALA A 83 -3.244 9.333 3.895 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.368 8.740 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.439 8.533 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.506 9.962 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.505 8.496 3.621 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.912 6.194 4.399 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.851 4.743 4.346 1.00 0.00 C ATOM 1291 C LEU A 84 -3.026 4.228 5.527 1.00 0.00 C ATOM 1292 O LEU A 84 -3.432 3.290 6.210 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.331 4.279 2.983 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.250 4.543 1.789 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.444 4.686 0.497 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.326 3.460 1.676 1.00 0.00 C ATOM 0 H LEU A 84 -3.641 6.665 3.536 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.849 4.315 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.375 4.768 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.136 3.208 3.036 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.762 5.491 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.122 4.873 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.748 5.519 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.887 3.768 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.966 3.671 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.851 2.488 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.928 3.449 2.585 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.881 4.864 5.730 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.996 4.482 6.817 1.00 0.00 C ATOM 1310 C ASN A 85 -1.794 4.416 8.121 1.00 0.00 C ATOM 1311 O ASN A 85 -1.950 3.344 8.703 1.00 0.00 O ATOM 1312 CB ASN A 85 0.125 5.507 7.000 1.00 0.00 C ATOM 1313 CG ASN A 85 1.490 4.887 6.695 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.075 4.181 7.500 1.00 0.00 O ATOM 1315 ND2 ASN A 85 1.964 5.189 5.489 1.00 0.00 N ATOM 0 H ASN A 85 -1.546 5.641 5.160 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.562 3.512 6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.046 6.360 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.114 5.885 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.868 4.824 5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.423 5.786 4.863 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.278 5.576 8.540 1.00 0.00 N ATOM 1323 CA LYS A 86 -3.056 5.664 9.764 1.00 0.00 C ATOM 1324 C LYS A 86 -4.196 4.645 9.712 1.00 0.00 C ATOM 1325 O LYS A 86 -4.485 3.980 10.706 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.525 7.101 9.999 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.280 7.637 8.781 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.796 9.055 9.036 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.636 10.033 9.238 1.00 0.00 C ATOM 1330 NZ LYS A 86 -4.142 11.418 9.364 1.00 0.00 N ATOM 0 H LYS A 86 -2.146 6.463 8.054 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.440 5.410 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.170 7.138 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.666 7.738 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.622 7.636 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.117 6.978 8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.408 9.380 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.438 9.059 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.075 9.762 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.946 9.967 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.342 12.069 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.657 11.679 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.783 11.481 10.181 1.00 0.00 H new ATOM 1344 N SER A 87 -4.814 4.555 8.544 1.00 0.00 N ATOM 1345 CA SER A 87 -5.917 3.629 8.349 1.00 0.00 C ATOM 1346 C SER A 87 -5.420 2.188 8.484 1.00 0.00 C ATOM 1347 O SER A 87 -6.215 1.269 8.672 1.00 0.00 O ATOM 1348 CB SER A 87 -6.577 3.837 6.985 1.00 0.00 C ATOM 1349 OG SER A 87 -6.428 2.699 6.140 1.00 0.00 O ATOM 0 H SER A 87 -4.572 5.108 7.722 1.00 0.00 H new ATOM 0 HA SER A 87 -6.666 3.822 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.637 4.049 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.139 4.709 6.499 1.00 0.00 H new ATOM 0 HG SER A 87 -5.477 2.550 5.956 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.107 2.037 8.383 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.495 0.724 8.492 1.00 0.00 C ATOM 1357 C GLY A 88 -3.494 0.006 7.140 1.00 0.00 C ATOM 1358 O GLY A 88 -3.433 -1.221 7.085 1.00 0.00 O ATOM 0 H GLY A 88 -3.451 2.802 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.472 0.824 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.036 0.126 9.225 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.561 0.803 6.083 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.568 0.259 4.736 1.00 0.00 C ATOM 1364 C LEU A 89 -2.154 0.331 4.154 1.00 0.00 C ATOM 1365 O LEU A 89 -1.980 0.627 2.973 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.622 0.963 3.880 1.00 0.00 C ATOM 1367 CG LEU A 89 -6.010 0.319 3.861 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.215 -0.578 5.083 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.105 1.381 3.739 1.00 0.00 C ATOM 0 H LEU A 89 -3.611 1.821 6.133 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.854 -0.793 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.724 1.989 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.254 1.015 2.856 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.079 -0.318 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.209 -1.023 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.464 -1.368 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.118 0.017 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.082 0.897 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.047 2.062 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.967 1.941 2.814 1.00 0.00 H new ATOM 1381 N SER A 90 -1.181 0.056 5.010 1.00 0.00 N ATOM 1382 CA SER A 90 0.211 0.087 4.596 1.00 0.00 C ATOM 1383 C SER A 90 0.350 -0.490 3.186 1.00 0.00 C ATOM 1384 O SER A 90 1.080 0.053 2.358 1.00 0.00 O ATOM 1385 CB SER A 90 1.094 -0.689 5.576 1.00 0.00 C ATOM 1386 OG SER A 90 0.660 -2.036 5.735 1.00 0.00 O ATOM 0 H SER A 90 -1.329 -0.189 5.989 1.00 0.00 H new ATOM 0 HA SER A 90 0.544 1.125 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.124 -0.680 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.086 -0.189 6.545 1.00 0.00 H new ATOM 0 HG SER A 90 1.250 -2.497 6.367 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.363 -1.583 2.955 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.328 -2.239 1.659 1.00 0.00 C ATOM 1394 C ASP A 91 -0.501 -1.192 0.557 1.00 0.00 C ATOM 1395 O ASP A 91 0.296 -1.131 -0.377 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.463 -3.257 1.527 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.493 -4.337 2.610 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.475 -4.450 3.326 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.533 -5.023 2.698 1.00 0.00 O ATOM 0 H ASP A 91 -0.968 -2.030 3.643 1.00 0.00 H new ATOM 0 HA ASP A 91 0.629 -2.752 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.413 -2.723 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.385 -3.742 0.554 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.548 -0.393 0.703 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.836 0.648 -0.268 1.00 0.00 C ATOM 1406 C LEU A 92 -0.661 1.627 -0.323 1.00 0.00 C ATOM 1407 O LEU A 92 0.010 1.739 -1.348 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.177 1.315 0.043 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.409 0.679 -0.603 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.802 1.421 -1.882 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.188 -0.815 -0.852 1.00 0.00 C ATOM 0 H LEU A 92 -2.207 -0.446 1.480 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.943 0.220 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.318 1.316 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.123 2.357 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.244 0.770 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.681 0.949 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.029 2.460 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.976 1.384 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.079 -1.243 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.335 -0.951 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.992 -1.317 0.096 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.448 2.310 0.792 1.00 0.00 N ATOM 1424 CA ALA A 93 0.635 3.275 0.883 1.00 0.00 C ATOM 1425 C ALA A 93 1.863 2.728 0.152 1.00 0.00 C ATOM 1426 O ALA A 93 2.349 3.342 -0.797 1.00 0.00 O ATOM 1427 CB ALA A 93 0.921 3.584 2.353 1.00 0.00 C ATOM 0 H ALA A 93 -1.007 2.214 1.640 1.00 0.00 H new ATOM 0 HA ALA A 93 0.355 4.212 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.733 4.308 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.026 3.998 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.208 2.667 2.868 1.00 0.00 H new ATOM 1433 N GLU A 94 2.328 1.580 0.621 1.00 0.00 N ATOM 1434 CA GLU A 94 3.490 0.944 0.024 1.00 0.00 C ATOM 1435 C GLU A 94 3.258 0.708 -1.470 1.00 0.00 C ATOM 1436 O GLU A 94 4.075 1.104 -2.299 1.00 0.00 O ATOM 1437 CB GLU A 94 3.826 -0.366 0.740 1.00 0.00 C ATOM 1438 CG GLU A 94 4.669 -0.108 1.990 1.00 0.00 C ATOM 1439 CD GLU A 94 4.156 1.115 2.754 1.00 0.00 C ATOM 1440 OE1 GLU A 94 4.606 2.229 2.410 1.00 0.00 O ATOM 1441 OE2 GLU A 94 3.326 0.907 3.665 1.00 0.00 O ATOM 0 H GLU A 94 1.921 1.074 1.407 1.00 0.00 H new ATOM 0 HA GLU A 94 4.344 1.612 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.905 -0.879 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.367 -1.026 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.642 -0.984 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.710 0.047 1.706 1.00 0.00 H new ATOM 1448 N SER A 95 2.138 0.064 -1.767 1.00 0.00 N ATOM 1449 CA SER A 95 1.788 -0.228 -3.147 1.00 0.00 C ATOM 1450 C SER A 95 1.888 1.042 -3.993 1.00 0.00 C ATOM 1451 O SER A 95 2.573 1.059 -5.015 1.00 0.00 O ATOM 1452 CB SER A 95 0.381 -0.821 -3.244 1.00 0.00 C ATOM 1453 OG SER A 95 0.306 -2.118 -2.659 1.00 0.00 O ATOM 0 H SER A 95 1.462 -0.263 -1.077 1.00 0.00 H new ATOM 0 HA SER A 95 2.492 -0.967 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.327 -0.158 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.083 -0.878 -4.291 1.00 0.00 H new ATOM 0 HG SER A 95 0.112 -2.035 -1.702 1.00 0.00 H new ATOM 1459 N LEU A 96 1.196 2.075 -3.537 1.00 0.00 N ATOM 1460 CA LEU A 96 1.198 3.347 -4.239 1.00 0.00 C ATOM 1461 C LEU A 96 2.633 3.871 -4.331 1.00 0.00 C ATOM 1462 O LEU A 96 3.094 4.243 -5.409 1.00 0.00 O ATOM 1463 CB LEU A 96 0.227 4.327 -3.578 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.250 4.155 -3.940 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.509 4.566 -5.391 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.721 2.727 -3.656 1.00 0.00 C ATOM 0 H LEU A 96 0.629 2.057 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 96 0.838 3.219 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.329 4.235 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.529 5.341 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.837 4.820 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.566 4.434 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.235 5.612 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.911 3.945 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.774 2.631 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.132 2.025 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.593 2.506 -2.596 1.00 0.00 H new ATOM 1478 N THR A 97 3.299 3.884 -3.185 1.00 0.00 N ATOM 1479 CA THR A 97 4.671 4.356 -3.123 1.00 0.00 C ATOM 1480 C THR A 97 5.643 3.216 -3.435 1.00 0.00 C ATOM 1481 O THR A 97 6.783 3.224 -2.975 1.00 0.00 O ATOM 1482 CB THR A 97 4.893 4.984 -1.745 1.00 0.00 C ATOM 1483 OG1 THR A 97 5.796 6.058 -1.994 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.663 4.061 -0.799 1.00 0.00 C ATOM 0 H THR A 97 2.913 3.575 -2.293 1.00 0.00 H new ATOM 0 HA THR A 97 4.861 5.118 -3.879 1.00 0.00 H new ATOM 0 HB THR A 97 3.930 5.237 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.993 6.521 -1.153 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.794 4.554 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.105 3.135 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.640 3.835 -1.226 1.00 0.00 H new