USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 58 THR OG1 : rot 180:sc= 0.95 USER MOD Set 1.2: A 61 SER OG : rot 88:sc= 1.04 USER MOD Single : A 18 GLN : amide:sc= 0.778 K(o=0.78,f=-1.1) USER MOD Single : A 23 MET CE :methyl -138:sc= 0 (180deg=-0.00368) USER MOD Single : A 24 SER OG : rot -76:sc= 0.706 USER MOD Single : A 29 THR OG1 : rot 166:sc= 1.14 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -8:sc= 0.969 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= 0.966 (180deg=0.663) USER MOD Single : A 41 THR OG1 : rot 83:sc= 0.296 USER MOD Single : A 43 ASN : amide:sc= 0.526 K(o=0.53,f=-0.76) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 63 SER OG : rot 75:sc= 1.28 USER MOD Single : A 67 SER OG : rot 75:sc= 0.623 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.731 X(o=-0.73,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -167:sc= -0.249 (180deg=-0.525) USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -0.108 F(o=-0.65,f=-0.11) USER MOD Single : A 95 ASN : amide:sc= 0.225 K(o=0.23,f=-5!) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= 0.497 (180deg=0.397) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.571 -13.371 -5.326 1.00 0.00 N ATOM 172 CA ILE A 17 -5.201 -13.030 -5.664 1.00 0.00 C ATOM 173 C ILE A 17 -4.406 -14.295 -5.973 1.00 0.00 C ATOM 174 O ILE A 17 -3.616 -14.288 -6.905 1.00 0.00 O ATOM 175 CB ILE A 17 -4.566 -12.187 -4.552 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.156 -11.762 -5.010 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.532 -12.850 -3.165 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.969 -10.282 -4.770 1.00 0.00 C ATOM 0 HA ILE A 17 -5.191 -12.417 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.208 -11.319 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.400 -12.327 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.023 -11.989 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.064 -12.174 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.549 -13.072 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.958 -13.775 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.972 -9.984 -5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.716 -9.725 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.084 -10.068 -3.707 1.00 0.00 H new ATOM 190 N GLN A 18 -4.608 -15.402 -5.253 1.00 0.00 N ATOM 191 CA GLN A 18 -3.802 -16.611 -5.447 1.00 0.00 C ATOM 192 C GLN A 18 -3.919 -17.202 -6.863 1.00 0.00 C ATOM 193 O GLN A 18 -3.027 -17.929 -7.296 1.00 0.00 O ATOM 194 CB GLN A 18 -4.155 -17.657 -4.378 1.00 0.00 C ATOM 195 CG GLN A 18 -3.416 -17.371 -3.057 1.00 0.00 C ATOM 196 CD GLN A 18 -3.410 -18.552 -2.078 1.00 0.00 C ATOM 197 OE1 GLN A 18 -3.673 -19.694 -2.447 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.058 -18.320 -0.828 1.00 0.00 N ATOM 0 H GLN A 18 -5.323 -15.486 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.758 -16.318 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.231 -17.655 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.892 -18.652 -4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.386 -17.093 -3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.880 -16.512 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.841 -17.370 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.003 -19.091 -0.162 1.00 0.00 H new ATOM 207 N GLU A 19 -4.984 -16.878 -7.589 1.00 0.00 N ATOM 208 CA GLU A 19 -5.190 -17.163 -9.005 1.00 0.00 C ATOM 209 C GLU A 19 -4.324 -16.247 -9.881 1.00 0.00 C ATOM 210 O GLU A 19 -3.608 -16.730 -10.754 1.00 0.00 O ATOM 211 CB GLU A 19 -6.687 -17.020 -9.311 1.00 0.00 C ATOM 212 CG GLU A 19 -7.228 -15.595 -9.158 1.00 0.00 C ATOM 213 CD GLU A 19 -8.739 -15.566 -9.022 1.00 0.00 C ATOM 214 OE1 GLU A 19 -9.208 -15.795 -7.885 1.00 0.00 O ATOM 215 OE2 GLU A 19 -9.404 -15.236 -10.029 1.00 0.00 O ATOM 0 H GLU A 19 -5.774 -16.379 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.879 -18.182 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.872 -17.359 -10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.246 -17.681 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.777 -15.129 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.931 -15.001 -10.022 1.00 0.00 H new ATOM 222 N ILE A 20 -4.368 -14.936 -9.638 1.00 0.00 N ATOM 223 CA ILE A 20 -3.591 -13.904 -10.321 1.00 0.00 C ATOM 224 C ILE A 20 -2.099 -14.182 -10.128 1.00 0.00 C ATOM 225 O ILE A 20 -1.329 -14.139 -11.077 1.00 0.00 O ATOM 226 CB ILE A 20 -4.004 -12.509 -9.799 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.481 -12.207 -10.148 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.104 -11.411 -10.379 1.00 0.00 C ATOM 229 CD1 ILE A 20 -6.374 -12.041 -8.926 1.00 0.00 C ATOM 0 H ILE A 20 -4.980 -14.546 -8.921 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.794 -13.921 -11.392 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.888 -12.519 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.526 -11.297 -10.747 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.872 -13.015 -10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.419 -10.441 -9.994 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.070 -11.598 -10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.183 -11.412 -11.466 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.394 -11.831 -9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.360 -12.958 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.008 -11.214 -8.317 1.00 0.00 H new ATOM 241 N VAL A 21 -1.686 -14.518 -8.909 1.00 0.00 N ATOM 242 CA VAL A 21 -0.324 -14.903 -8.576 1.00 0.00 C ATOM 243 C VAL A 21 0.072 -16.138 -9.390 1.00 0.00 C ATOM 244 O VAL A 21 1.198 -16.223 -9.874 1.00 0.00 O ATOM 245 CB VAL A 21 -0.247 -15.158 -7.062 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.127 -15.665 -6.634 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.546 -13.899 -6.234 1.00 0.00 C ATOM 0 H VAL A 21 -2.312 -14.529 -8.103 1.00 0.00 H new ATOM 0 HA VAL A 21 0.380 -14.110 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.007 -15.915 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.134 -15.831 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.345 -16.602 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.885 -14.925 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.478 -14.137 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.178 -13.122 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.551 -13.544 -6.462 1.00 0.00 H new ATOM 257 N ALA A 22 -0.853 -17.082 -9.569 1.00 0.00 N ATOM 258 CA ALA A 22 -0.622 -18.267 -10.378 1.00 0.00 C ATOM 259 C ALA A 22 -0.307 -17.874 -11.829 1.00 0.00 C ATOM 260 O ALA A 22 0.651 -18.387 -12.406 1.00 0.00 O ATOM 261 CB ALA A 22 -1.813 -19.228 -10.247 1.00 0.00 C ATOM 0 H ALA A 22 -1.784 -17.041 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 22 0.255 -18.803 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.634 -20.114 -10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.930 -19.522 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.721 -18.731 -10.588 1.00 0.00 H new ATOM 267 N MET A 23 -1.054 -16.923 -12.394 1.00 0.00 N ATOM 268 CA MET A 23 -0.795 -16.343 -13.715 1.00 0.00 C ATOM 269 C MET A 23 0.205 -15.171 -13.681 1.00 0.00 C ATOM 270 O MET A 23 0.317 -14.433 -14.664 1.00 0.00 O ATOM 271 CB MET A 23 -2.112 -16.004 -14.447 1.00 0.00 C ATOM 272 CG MET A 23 -3.235 -15.417 -13.604 1.00 0.00 C ATOM 273 SD MET A 23 -4.542 -14.554 -14.521 1.00 0.00 S ATOM 274 CE MET A 23 -3.695 -12.986 -14.878 1.00 0.00 C ATOM 0 H MET A 23 -1.874 -16.525 -11.936 1.00 0.00 H new ATOM 0 HA MET A 23 -0.295 -17.111 -14.305 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.884 -15.300 -15.247 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.482 -16.914 -14.919 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.692 -16.223 -13.029 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.800 -14.721 -12.887 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.386 -12.157 -14.726 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.841 -12.874 -14.210 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.350 -12.986 -15.912 1.00 0.00 H new ATOM 284 N SER A 24 0.948 -14.965 -12.590 1.00 0.00 N ATOM 285 CA SER A 24 1.987 -13.946 -12.551 1.00 0.00 C ATOM 286 C SER A 24 3.181 -14.428 -13.382 1.00 0.00 C ATOM 287 O SER A 24 3.486 -15.627 -13.353 1.00 0.00 O ATOM 288 CB SER A 24 2.409 -13.694 -11.101 1.00 0.00 C ATOM 289 OG SER A 24 3.348 -12.640 -10.986 1.00 0.00 O ATOM 0 H SER A 24 0.845 -15.494 -11.724 1.00 0.00 H new ATOM 0 HA SER A 24 1.612 -13.011 -12.967 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.527 -13.458 -10.505 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.839 -14.606 -10.687 1.00 0.00 H new ATOM 0 HG SER A 24 4.229 -12.953 -11.280 1.00 0.00 H new ATOM 295 N PRO A 25 3.917 -13.511 -14.033 1.00 0.00 N ATOM 296 CA PRO A 25 5.297 -13.745 -14.425 1.00 0.00 C ATOM 297 C PRO A 25 6.181 -14.029 -13.206 1.00 0.00 C ATOM 298 O PRO A 25 5.761 -13.834 -12.059 1.00 0.00 O ATOM 299 CB PRO A 25 5.776 -12.462 -15.115 1.00 0.00 C ATOM 300 CG PRO A 25 4.509 -11.653 -15.361 1.00 0.00 C ATOM 301 CD PRO A 25 3.554 -12.130 -14.281 1.00 0.00 C ATOM 0 HA PRO A 25 5.361 -14.612 -15.082 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.479 -11.914 -14.487 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.290 -12.685 -16.050 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.697 -10.582 -15.283 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.107 -11.834 -16.358 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.651 -11.529 -13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.518 -12.048 -14.608 1.00 0.00 H new ATOM 309 N GLU A 26 7.436 -14.397 -13.466 1.00 0.00 N ATOM 310 CA GLU A 26 8.511 -14.325 -12.496 1.00 0.00 C ATOM 311 C GLU A 26 8.791 -12.853 -12.158 1.00 0.00 C ATOM 312 O GLU A 26 9.391 -12.112 -12.940 1.00 0.00 O ATOM 313 CB GLU A 26 9.753 -15.093 -13.004 1.00 0.00 C ATOM 314 CG GLU A 26 10.118 -16.117 -11.928 1.00 0.00 C ATOM 315 CD GLU A 26 11.239 -17.120 -12.197 1.00 0.00 C ATOM 316 OE1 GLU A 26 11.110 -17.899 -13.169 1.00 0.00 O ATOM 317 OE2 GLU A 26 12.097 -17.318 -11.296 1.00 0.00 O ATOM 0 H GLU A 26 7.731 -14.758 -14.373 1.00 0.00 H new ATOM 0 HA GLU A 26 8.220 -14.817 -11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.539 -15.589 -13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.583 -14.409 -13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.383 -15.564 -11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.217 -16.687 -11.699 1.00 0.00 H new ATOM 324 N LEU A 27 8.284 -12.420 -11.005 1.00 0.00 N ATOM 325 CA LEU A 27 8.378 -11.060 -10.493 1.00 0.00 C ATOM 326 C LEU A 27 9.621 -10.938 -9.630 1.00 0.00 C ATOM 327 O LEU A 27 9.821 -11.734 -8.713 1.00 0.00 O ATOM 328 CB LEU A 27 7.107 -10.730 -9.716 1.00 0.00 C ATOM 329 CG LEU A 27 6.210 -9.772 -10.504 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.876 -10.286 -11.908 1.00 0.00 C ATOM 331 CD2 LEU A 27 4.932 -9.613 -9.701 1.00 0.00 C ATOM 0 H LEU A 27 7.773 -13.039 -10.375 1.00 0.00 H new ATOM 0 HA LEU A 27 8.467 -10.343 -11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.561 -11.648 -9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.369 -10.282 -8.758 1.00 0.00 H new ATOM 0 HG LEU A 27 6.733 -8.826 -10.645 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.238 -9.564 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.797 -10.420 -12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.355 -11.240 -11.832 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.256 -8.936 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.453 -10.585 -9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.168 -9.204 -8.719 1.00 0.00 H new ATOM 343 N ASP A 28 10.468 -9.956 -9.925 1.00 0.00 N ATOM 344 CA ASP A 28 11.761 -9.811 -9.270 1.00 0.00 C ATOM 345 C ASP A 28 11.581 -9.265 -7.863 1.00 0.00 C ATOM 346 O ASP A 28 11.485 -8.054 -7.653 1.00 0.00 O ATOM 347 CB ASP A 28 12.686 -8.909 -10.081 1.00 0.00 C ATOM 348 CG ASP A 28 14.138 -8.975 -9.593 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.412 -9.166 -8.385 1.00 0.00 O ATOM 350 OD2 ASP A 28 15.034 -8.804 -10.448 1.00 0.00 O ATOM 0 H ASP A 28 10.276 -9.239 -10.625 1.00 0.00 H new ATOM 0 HA ASP A 28 12.224 -10.796 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.644 -9.199 -11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.331 -7.880 -10.021 1.00 0.00 H new ATOM 355 N THR A 29 11.506 -10.178 -6.901 1.00 0.00 N ATOM 356 CA THR A 29 11.210 -9.888 -5.512 1.00 0.00 C ATOM 357 C THR A 29 12.103 -8.761 -5.004 1.00 0.00 C ATOM 358 O THR A 29 11.599 -7.749 -4.528 1.00 0.00 O ATOM 359 CB THR A 29 11.331 -11.176 -4.683 1.00 0.00 C ATOM 360 OG1 THR A 29 12.577 -11.820 -4.855 1.00 0.00 O ATOM 361 CG2 THR A 29 10.262 -12.192 -5.081 1.00 0.00 C ATOM 0 H THR A 29 11.655 -11.171 -7.077 1.00 0.00 H new ATOM 0 HA THR A 29 10.184 -9.534 -5.411 1.00 0.00 H new ATOM 0 HB THR A 29 11.215 -10.858 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.696 -12.495 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.373 -13.093 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.273 -11.764 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.375 -12.445 -6.135 1.00 0.00 H new ATOM 369 N TYR A 30 13.420 -8.903 -5.144 1.00 0.00 N ATOM 370 CA TYR A 30 14.406 -7.941 -4.755 1.00 0.00 C ATOM 371 C TYR A 30 14.164 -6.574 -5.376 1.00 0.00 C ATOM 372 O TYR A 30 14.031 -5.597 -4.638 1.00 0.00 O ATOM 373 CB TYR A 30 15.757 -8.520 -5.167 1.00 0.00 C ATOM 374 CG TYR A 30 16.947 -7.869 -4.522 1.00 0.00 C ATOM 375 CD1 TYR A 30 16.932 -7.614 -3.145 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.095 -7.611 -5.282 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.064 -7.082 -2.513 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.246 -7.102 -4.656 1.00 0.00 C ATOM 379 CZ TYR A 30 19.235 -6.840 -3.266 1.00 0.00 C ATOM 380 OH TYR A 30 20.353 -6.382 -2.647 1.00 0.00 O ATOM 0 H TYR A 30 13.832 -9.741 -5.555 1.00 0.00 H new ATOM 0 HA TYR A 30 14.364 -7.768 -3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.769 -9.583 -4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.857 -8.436 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.045 -7.828 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 30 18.096 -7.802 -6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.042 -6.858 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 30 20.137 -6.911 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 30 21.069 -6.269 -3.306 1.00 0.00 H new ATOM 390 N SER A 31 14.096 -6.497 -6.705 1.00 0.00 N ATOM 391 CA SER A 31 13.898 -5.230 -7.402 1.00 0.00 C ATOM 392 C SER A 31 12.610 -4.555 -6.926 1.00 0.00 C ATOM 393 O SER A 31 12.645 -3.388 -6.550 1.00 0.00 O ATOM 394 CB SER A 31 13.909 -5.456 -8.918 1.00 0.00 C ATOM 395 OG SER A 31 14.210 -4.242 -9.575 1.00 0.00 O ATOM 0 H SER A 31 14.176 -7.305 -7.323 1.00 0.00 H new ATOM 0 HA SER A 31 14.720 -4.554 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.647 -6.215 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.939 -5.829 -9.247 1.00 0.00 H new ATOM 0 HG SER A 31 14.219 -4.388 -10.544 1.00 0.00 H new ATOM 401 N ILE A 32 11.499 -5.288 -6.839 1.00 0.00 N ATOM 402 CA ILE A 32 10.226 -4.795 -6.323 1.00 0.00 C ATOM 403 C ILE A 32 10.449 -4.267 -4.902 1.00 0.00 C ATOM 404 O ILE A 32 10.108 -3.120 -4.648 1.00 0.00 O ATOM 405 CB ILE A 32 9.178 -5.933 -6.431 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.870 -6.246 -7.917 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.870 -5.626 -5.680 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.276 -7.645 -8.123 1.00 0.00 C ATOM 0 H ILE A 32 11.461 -6.264 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 32 9.833 -3.960 -6.902 1.00 0.00 H new ATOM 0 HB ILE A 32 9.623 -6.805 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.174 -5.501 -8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.787 -6.157 -8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.180 -6.462 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.085 -5.476 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.418 -4.723 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.082 -7.805 -9.184 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.981 -8.396 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.343 -7.730 -7.566 1.00 0.00 H new ATOM 420 N THR A 33 11.048 -5.019 -3.970 1.00 0.00 N ATOM 421 CA THR A 33 11.224 -4.516 -2.603 1.00 0.00 C ATOM 422 C THR A 33 12.071 -3.252 -2.546 1.00 0.00 C ATOM 423 O THR A 33 11.788 -2.369 -1.744 1.00 0.00 O ATOM 424 CB THR A 33 11.835 -5.562 -1.669 1.00 0.00 C ATOM 425 OG1 THR A 33 13.070 -6.071 -2.122 1.00 0.00 O ATOM 426 CG2 THR A 33 10.879 -6.724 -1.459 1.00 0.00 C ATOM 0 H THR A 33 11.412 -5.958 -4.132 1.00 0.00 H new ATOM 0 HA THR A 33 10.217 -4.279 -2.261 1.00 0.00 H new ATOM 0 HB THR A 33 12.016 -5.039 -0.730 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.244 -5.746 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.336 -7.455 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.953 -6.358 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.662 -7.194 -2.418 1.00 0.00 H new ATOM 434 N LYS A 34 13.106 -3.172 -3.377 1.00 0.00 N ATOM 435 CA LYS A 34 13.946 -1.996 -3.526 1.00 0.00 C ATOM 436 C LYS A 34 13.079 -0.830 -3.986 1.00 0.00 C ATOM 437 O LYS A 34 12.992 0.158 -3.265 1.00 0.00 O ATOM 438 CB LYS A 34 15.111 -2.317 -4.478 1.00 0.00 C ATOM 439 CG LYS A 34 16.282 -2.964 -3.721 1.00 0.00 C ATOM 440 CD LYS A 34 17.527 -3.093 -4.606 1.00 0.00 C ATOM 441 CE LYS A 34 17.344 -4.156 -5.695 1.00 0.00 C ATOM 442 NZ LYS A 34 18.113 -3.841 -6.914 1.00 0.00 N ATOM 0 H LYS A 34 13.388 -3.945 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 34 14.398 -1.703 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.767 -2.988 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.450 -1.402 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.521 -2.366 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.985 -3.950 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.744 -2.131 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.387 -3.350 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.658 -5.126 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.286 -4.239 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.960 -4.586 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.797 -2.927 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.125 -3.787 -6.682 1.00 0.00 H new ATOM 456 N ARG A 35 12.359 -0.982 -5.095 1.00 0.00 N ATOM 457 CA ARG A 35 11.473 0.020 -5.680 1.00 0.00 C ATOM 458 C ARG A 35 10.403 0.460 -4.676 1.00 0.00 C ATOM 459 O ARG A 35 10.069 1.636 -4.608 1.00 0.00 O ATOM 460 CB ARG A 35 10.885 -0.593 -6.969 1.00 0.00 C ATOM 461 CG ARG A 35 10.504 0.382 -8.097 1.00 0.00 C ATOM 462 CD ARG A 35 9.311 1.234 -7.695 1.00 0.00 C ATOM 463 NE ARG A 35 8.522 1.706 -8.850 1.00 0.00 N ATOM 464 CZ ARG A 35 8.654 2.875 -9.495 1.00 0.00 C ATOM 465 NH1 ARG A 35 9.641 3.717 -9.217 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.786 3.190 -10.446 1.00 0.00 N ATOM 0 H ARG A 35 12.379 -1.847 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 35 12.014 0.932 -5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.609 -1.304 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.995 -1.162 -6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.353 1.024 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.269 -0.177 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.666 0.656 -7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.662 2.095 -7.126 1.00 0.00 H new ATOM 0 HE ARG A 35 7.798 1.075 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.324 3.482 -8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.717 4.599 -9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.029 2.547 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.875 4.076 -10.944 1.00 0.00 H new ATOM 480 N VAL A 36 9.862 -0.467 -3.887 1.00 0.00 N ATOM 481 CA VAL A 36 8.884 -0.191 -2.848 1.00 0.00 C ATOM 482 C VAL A 36 9.547 0.665 -1.774 1.00 0.00 C ATOM 483 O VAL A 36 9.047 1.741 -1.470 1.00 0.00 O ATOM 484 CB VAL A 36 8.311 -1.522 -2.316 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.570 -1.376 -0.983 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.315 -2.139 -3.314 1.00 0.00 C ATOM 0 H VAL A 36 10.102 -1.456 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 36 8.035 0.375 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 36 9.183 -2.161 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.194 -2.349 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.253 -0.989 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.735 -0.686 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.929 -3.075 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.489 -1.447 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.821 -2.332 -4.260 1.00 0.00 H new ATOM 496 N LYS A 37 10.659 0.207 -1.192 1.00 0.00 N ATOM 497 CA LYS A 37 11.378 0.938 -0.153 1.00 0.00 C ATOM 498 C LYS A 37 11.724 2.342 -0.628 1.00 0.00 C ATOM 499 O LYS A 37 11.533 3.282 0.132 1.00 0.00 O ATOM 500 CB LYS A 37 12.651 0.177 0.231 1.00 0.00 C ATOM 501 CG LYS A 37 12.370 -1.007 1.159 1.00 0.00 C ATOM 502 CD LYS A 37 13.669 -1.736 1.536 1.00 0.00 C ATOM 503 CE LYS A 37 14.214 -2.569 0.366 1.00 0.00 C ATOM 504 NZ LYS A 37 15.484 -3.237 0.716 1.00 0.00 N ATOM 0 H LYS A 37 11.086 -0.688 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 37 10.736 1.023 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.142 -0.183 -0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.345 0.860 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.872 -0.655 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.688 -1.702 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.419 -1.007 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.486 -2.386 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.476 -3.318 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.368 -1.924 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.998 -3.484 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.066 -2.596 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.284 -4.102 1.257 1.00 0.00 H new ATOM 518 N GLU A 38 12.197 2.475 -1.866 1.00 0.00 N ATOM 519 CA GLU A 38 12.494 3.758 -2.498 1.00 0.00 C ATOM 520 C GLU A 38 11.262 4.659 -2.420 1.00 0.00 C ATOM 521 O GLU A 38 11.342 5.712 -1.803 1.00 0.00 O ATOM 522 CB GLU A 38 12.981 3.567 -3.946 1.00 0.00 C ATOM 523 CG GLU A 38 14.339 2.847 -4.033 1.00 0.00 C ATOM 524 CD GLU A 38 15.492 3.712 -4.545 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.627 4.894 -4.150 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.283 3.189 -5.363 1.00 0.00 O ATOM 0 H GLU A 38 12.388 1.676 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 38 13.309 4.243 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.237 2.996 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.061 4.541 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.598 2.469 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.234 1.982 -4.687 1.00 0.00 H new ATOM 533 N VAL A 39 10.115 4.243 -2.969 1.00 0.00 N ATOM 534 CA VAL A 39 8.882 5.036 -2.949 1.00 0.00 C ATOM 535 C VAL A 39 8.448 5.361 -1.510 1.00 0.00 C ATOM 536 O VAL A 39 7.997 6.479 -1.244 1.00 0.00 O ATOM 537 CB VAL A 39 7.787 4.295 -3.751 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.389 4.918 -3.606 1.00 0.00 C ATOM 539 CG2 VAL A 39 8.132 4.276 -5.249 1.00 0.00 C ATOM 0 H VAL A 39 10.016 3.344 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 39 9.060 5.998 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 39 7.760 3.288 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.673 4.346 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.091 4.902 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.411 5.948 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.349 3.750 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.208 5.299 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.084 3.765 -5.397 1.00 0.00 H new ATOM 549 N LEU A 40 8.556 4.414 -0.569 1.00 0.00 N ATOM 550 CA LEU A 40 8.164 4.661 0.816 1.00 0.00 C ATOM 551 C LEU A 40 9.074 5.717 1.437 1.00 0.00 C ATOM 552 O LEU A 40 8.573 6.591 2.133 1.00 0.00 O ATOM 553 CB LEU A 40 8.156 3.383 1.678 1.00 0.00 C ATOM 554 CG LEU A 40 7.158 2.298 1.231 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.380 1.038 2.074 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.700 2.749 1.339 1.00 0.00 C ATOM 0 H LEU A 40 8.911 3.474 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 40 7.137 5.027 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.159 2.955 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.930 3.660 2.708 1.00 0.00 H new ATOM 0 HG LEU A 40 7.343 2.093 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.677 0.264 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.400 0.680 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.221 1.272 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.044 1.943 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.473 3.002 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.542 3.624 0.709 1.00 0.00 H new ATOM 568 N THR A 41 10.385 5.653 1.220 1.00 0.00 N ATOM 569 CA THR A 41 11.337 6.641 1.689 1.00 0.00 C ATOM 570 C THR A 41 11.131 7.988 0.989 1.00 0.00 C ATOM 571 O THR A 41 11.180 9.008 1.669 1.00 0.00 O ATOM 572 CB THR A 41 12.737 6.053 1.471 1.00 0.00 C ATOM 573 OG1 THR A 41 12.868 4.892 2.275 1.00 0.00 O ATOM 574 CG2 THR A 41 13.867 7.012 1.814 1.00 0.00 C ATOM 0 H THR A 41 10.820 4.891 0.699 1.00 0.00 H new ATOM 0 HA THR A 41 11.197 6.854 2.749 1.00 0.00 H new ATOM 0 HB THR A 41 12.825 5.831 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.471 4.126 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.825 6.525 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.790 7.903 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.796 7.297 2.864 1.00 0.00 H new ATOM 582 N ASP A 42 10.865 8.016 -0.319 1.00 0.00 N ATOM 583 CA ASP A 42 10.654 9.234 -1.112 1.00 0.00 C ATOM 584 C ASP A 42 9.497 10.051 -0.542 1.00 0.00 C ATOM 585 O ASP A 42 9.537 11.277 -0.475 1.00 0.00 O ATOM 586 CB ASP A 42 10.328 8.850 -2.564 1.00 0.00 C ATOM 587 CG ASP A 42 10.344 10.048 -3.512 1.00 0.00 C ATOM 588 OD1 ASP A 42 11.316 10.832 -3.484 1.00 0.00 O ATOM 589 OD2 ASP A 42 9.441 10.114 -4.379 1.00 0.00 O ATOM 0 H ASP A 42 10.788 7.165 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 42 11.564 9.833 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.049 8.110 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.346 8.379 -2.598 1.00 0.00 H new ATOM 594 N ASN A 43 8.467 9.345 -0.070 1.00 0.00 N ATOM 595 CA ASN A 43 7.249 9.914 0.492 1.00 0.00 C ATOM 596 C ASN A 43 7.292 9.934 2.022 1.00 0.00 C ATOM 597 O ASN A 43 6.317 10.336 2.659 1.00 0.00 O ATOM 598 CB ASN A 43 6.044 9.151 -0.065 1.00 0.00 C ATOM 599 CG ASN A 43 5.928 9.458 -1.550 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.288 10.434 -1.939 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.572 8.665 -2.389 1.00 0.00 N ATOM 0 H ASN A 43 8.462 8.325 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 43 7.157 10.958 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.167 8.080 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.133 9.447 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.547 8.855 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.094 7.864 -2.034 1.00 0.00 H new ATOM 608 N ASN A 44 8.415 9.515 2.620 1.00 0.00 N ATOM 609 CA ASN A 44 8.665 9.359 4.054 1.00 0.00 C ATOM 610 C ASN A 44 7.575 8.543 4.773 1.00 0.00 C ATOM 611 O ASN A 44 7.356 8.689 5.979 1.00 0.00 O ATOM 612 CB ASN A 44 8.934 10.729 4.695 1.00 0.00 C ATOM 613 CG ASN A 44 10.309 11.277 4.335 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.543 11.795 3.252 1.00 0.00 O ATOM 615 ND2 ASN A 44 11.245 11.249 5.260 1.00 0.00 N ATOM 0 H ASN A 44 9.234 9.257 2.069 1.00 0.00 H new ATOM 0 HA ASN A 44 9.567 8.759 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.168 11.435 4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.852 10.643 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.160 11.658 5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.055 10.818 6.165 1.00 0.00 H new ATOM 622 N LEU A 45 6.880 7.659 4.058 1.00 0.00 N ATOM 623 CA LEU A 45 5.836 6.790 4.584 1.00 0.00 C ATOM 624 C LEU A 45 6.415 5.780 5.569 1.00 0.00 C ATOM 625 O LEU A 45 7.518 5.260 5.373 1.00 0.00 O ATOM 626 CB LEU A 45 5.189 6.009 3.435 1.00 0.00 C ATOM 627 CG LEU A 45 4.205 6.827 2.584 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.961 6.060 1.286 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.865 7.035 3.301 1.00 0.00 C ATOM 0 H LEU A 45 7.037 7.526 3.059 1.00 0.00 H new ATOM 0 HA LEU A 45 5.102 7.417 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.976 5.622 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.664 5.148 3.848 1.00 0.00 H new ATOM 0 HG LEU A 45 4.635 7.811 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.265 6.617 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.905 5.933 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.539 5.081 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.199 7.618 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.411 6.067 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.032 7.569 4.237 1.00 0.00 H new ATOM 641 N GLY A 46 5.619 5.418 6.573 1.00 0.00 N ATOM 642 CA GLY A 46 5.924 4.337 7.487 1.00 0.00 C ATOM 643 C GLY A 46 5.737 2.988 6.799 1.00 0.00 C ATOM 644 O GLY A 46 4.637 2.694 6.324 1.00 0.00 O ATOM 0 H GLY A 46 4.731 5.880 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.950 4.432 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.277 4.399 8.362 1.00 0.00 H new ATOM 648 N GLN A 47 6.772 2.138 6.798 1.00 0.00 N ATOM 649 CA GLN A 47 6.708 0.761 6.297 1.00 0.00 C ATOM 650 C GLN A 47 5.501 0.009 6.863 1.00 0.00 C ATOM 651 O GLN A 47 4.884 -0.771 6.140 1.00 0.00 O ATOM 652 CB GLN A 47 7.988 -0.014 6.667 1.00 0.00 C ATOM 653 CG GLN A 47 9.044 -0.001 5.561 1.00 0.00 C ATOM 654 CD GLN A 47 10.362 -0.570 6.056 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.505 -1.878 6.123 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 11.283 0.167 6.390 1.00 0.00 N flip ATOM 0 H GLN A 47 7.694 2.394 7.152 1.00 0.00 H new ATOM 0 HA GLN A 47 6.611 0.824 5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.415 0.416 7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.726 -1.047 6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.690 -0.582 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.194 1.020 5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.171 1.179 6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.162 -0.232 6.720 1.00 0.00 H new ATOM 665 N ARG A 48 5.167 0.227 8.146 1.00 0.00 N ATOM 666 CA ARG A 48 4.032 -0.443 8.769 1.00 0.00 C ATOM 667 C ARG A 48 2.756 -0.179 7.983 1.00 0.00 C ATOM 668 O ARG A 48 2.048 -1.132 7.723 1.00 0.00 O ATOM 669 CB ARG A 48 3.868 -0.054 10.249 1.00 0.00 C ATOM 670 CG ARG A 48 2.690 -0.822 10.876 1.00 0.00 C ATOM 671 CD ARG A 48 2.537 -0.624 12.384 1.00 0.00 C ATOM 672 NE ARG A 48 1.267 -1.192 12.856 1.00 0.00 N ATOM 673 CZ ARG A 48 0.809 -1.195 14.109 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.578 -0.796 15.120 1.00 0.00 N ATOM 675 NH2 ARG A 48 -0.437 -1.595 14.310 1.00 0.00 N ATOM 0 H ARG A 48 5.671 0.862 8.764 1.00 0.00 H new ATOM 0 HA ARG A 48 4.233 -1.514 8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.786 -0.275 10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.697 1.019 10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.767 -0.511 10.386 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.816 -1.885 10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.369 -1.098 12.904 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.577 0.439 12.622 1.00 0.00 H new ATOM 0 HE ARG A 48 0.673 -1.630 12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.532 -0.482 14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.213 -0.804 16.072 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.012 -1.888 13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.822 -1.611 15.255 1.00 0.00 H new ATOM 689 N LEU A 49 2.447 1.066 7.604 1.00 0.00 N ATOM 690 CA LEU A 49 1.213 1.407 6.907 1.00 0.00 C ATOM 691 C LEU A 49 1.094 0.547 5.653 1.00 0.00 C ATOM 692 O LEU A 49 0.078 -0.112 5.431 1.00 0.00 O ATOM 693 CB LEU A 49 1.247 2.904 6.535 1.00 0.00 C ATOM 694 CG LEU A 49 -0.123 3.592 6.589 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.057 5.042 6.139 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.253 2.957 5.792 1.00 0.00 C ATOM 0 H LEU A 49 3.054 1.867 7.776 1.00 0.00 H new ATOM 0 HA LEU A 49 0.350 1.219 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.928 3.420 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.655 3.009 5.530 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.448 3.492 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.905 5.554 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.757 5.546 6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.447 5.061 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.163 3.544 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.983 2.930 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.424 1.941 6.149 1.00 0.00 H new ATOM 708 N PHE A 50 2.151 0.559 4.843 1.00 0.00 N ATOM 709 CA PHE A 50 2.206 -0.186 3.603 1.00 0.00 C ATOM 710 C PHE A 50 1.932 -1.665 3.861 1.00 0.00 C ATOM 711 O PHE A 50 1.044 -2.250 3.237 1.00 0.00 O ATOM 712 CB PHE A 50 3.570 0.050 2.947 1.00 0.00 C ATOM 713 CG PHE A 50 3.857 -0.861 1.776 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.291 -0.579 0.520 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.681 -1.995 1.945 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.570 -1.413 -0.572 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.960 -2.830 0.849 1.00 0.00 C ATOM 718 CZ PHE A 50 4.417 -2.518 -0.409 1.00 0.00 C ATOM 0 H PHE A 50 2.997 1.094 5.038 1.00 0.00 H new ATOM 0 HA PHE A 50 1.433 0.159 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.625 1.085 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.350 -0.083 3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.644 0.277 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.097 -2.221 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.133 -1.204 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.585 -3.702 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.655 -3.137 -1.261 1.00 0.00 H new ATOM 728 N GLY A 51 2.666 -2.267 4.800 1.00 0.00 N ATOM 729 CA GLY A 51 2.460 -3.668 5.103 1.00 0.00 C ATOM 730 C GLY A 51 1.097 -3.924 5.719 1.00 0.00 C ATOM 731 O GLY A 51 0.591 -5.011 5.534 1.00 0.00 O ATOM 0 H GLY A 51 3.393 -1.809 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.561 -4.255 4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.237 -4.008 5.788 1.00 0.00 H new ATOM 735 N GLU A 52 0.480 -2.970 6.411 1.00 0.00 N ATOM 736 CA GLU A 52 -0.829 -3.121 7.024 1.00 0.00 C ATOM 737 C GLU A 52 -1.913 -3.163 5.942 1.00 0.00 C ATOM 738 O GLU A 52 -2.628 -4.156 5.852 1.00 0.00 O ATOM 739 CB GLU A 52 -1.080 -1.983 8.020 1.00 0.00 C ATOM 740 CG GLU A 52 -0.335 -2.142 9.345 1.00 0.00 C ATOM 741 CD GLU A 52 -1.092 -2.893 10.431 1.00 0.00 C ATOM 742 OE1 GLU A 52 -1.796 -3.883 10.132 1.00 0.00 O ATOM 743 OE2 GLU A 52 -0.850 -2.600 11.627 1.00 0.00 O ATOM 0 H GLU A 52 0.890 -2.048 6.563 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.863 -4.062 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.785 -1.040 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.149 -1.919 8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.604 -2.661 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.081 -1.151 9.721 1.00 0.00 H new ATOM 750 N SER A 53 -2.085 -2.093 5.154 1.00 0.00 N ATOM 751 CA SER A 53 -3.218 -1.960 4.245 1.00 0.00 C ATOM 752 C SER A 53 -3.036 -2.726 2.937 1.00 0.00 C ATOM 753 O SER A 53 -4.034 -3.151 2.352 1.00 0.00 O ATOM 754 CB SER A 53 -3.433 -0.482 3.918 1.00 0.00 C ATOM 755 OG SER A 53 -4.178 0.160 4.932 1.00 0.00 O ATOM 0 H SER A 53 -1.442 -1.301 5.133 1.00 0.00 H new ATOM 0 HA SER A 53 -4.081 -2.387 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.468 0.012 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.954 -0.389 2.965 1.00 0.00 H new ATOM 0 HG SER A 53 -4.300 1.104 4.700 1.00 0.00 H new ATOM 761 N ILE A 54 -1.802 -2.851 2.437 1.00 0.00 N ATOM 762 CA ILE A 54 -1.566 -3.554 1.182 1.00 0.00 C ATOM 763 C ILE A 54 -1.392 -5.032 1.503 1.00 0.00 C ATOM 764 O ILE A 54 -2.056 -5.864 0.891 1.00 0.00 O ATOM 765 CB ILE A 54 -0.376 -2.962 0.390 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.425 -1.422 0.311 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.307 -3.547 -1.034 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.733 -0.815 -0.218 1.00 0.00 C ATOM 0 H ILE A 54 -0.963 -2.477 2.880 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.421 -3.428 0.518 1.00 0.00 H new ATOM 0 HB ILE A 54 0.522 -3.242 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.239 -1.021 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.392 -1.085 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.539 -3.112 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.183 -4.628 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.229 -3.315 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.651 0.272 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.918 -1.175 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.559 -1.110 0.429 1.00 0.00 H new ATOM 780 N LEU A 55 -0.473 -5.359 2.422 1.00 0.00 N ATOM 781 CA LEU A 55 -0.002 -6.738 2.569 1.00 0.00 C ATOM 782 C LEU A 55 -0.725 -7.532 3.664 1.00 0.00 C ATOM 783 O LEU A 55 -0.979 -8.714 3.455 1.00 0.00 O ATOM 784 CB LEU A 55 1.529 -6.763 2.709 1.00 0.00 C ATOM 785 CG LEU A 55 2.267 -6.057 1.547 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.779 -6.234 1.685 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.852 -6.574 0.167 1.00 0.00 C ATOM 0 H LEU A 55 -0.047 -4.694 3.067 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.265 -7.268 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.808 -6.286 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.864 -7.799 2.765 1.00 0.00 H new ATOM 0 HG LEU A 55 1.988 -5.005 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.281 -5.731 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.111 -5.802 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.024 -7.296 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.406 -6.038 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.071 -7.639 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.783 -6.413 0.024 1.00 0.00 H new ATOM 799 N GLY A 56 -1.095 -6.916 4.786 1.00 0.00 N ATOM 800 CA GLY A 56 -1.590 -7.552 6.008 1.00 0.00 C ATOM 801 C GLY A 56 -0.490 -7.910 7.020 1.00 0.00 C ATOM 802 O GLY A 56 -0.769 -8.515 8.060 1.00 0.00 O ATOM 0 H GLY A 56 -1.055 -5.900 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.306 -6.885 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.130 -8.460 5.739 1.00 0.00 H new ATOM 806 N LEU A 57 0.769 -7.537 6.771 1.00 0.00 N ATOM 807 CA LEU A 57 1.929 -7.961 7.557 1.00 0.00 C ATOM 808 C LEU A 57 2.204 -6.963 8.677 1.00 0.00 C ATOM 809 O LEU A 57 1.866 -5.783 8.554 1.00 0.00 O ATOM 810 CB LEU A 57 3.148 -8.077 6.628 1.00 0.00 C ATOM 811 CG LEU A 57 3.008 -9.233 5.619 1.00 0.00 C ATOM 812 CD1 LEU A 57 4.048 -9.076 4.509 1.00 0.00 C ATOM 813 CD2 LEU A 57 3.177 -10.605 6.287 1.00 0.00 C ATOM 0 H LEU A 57 1.014 -6.917 5.999 1.00 0.00 H new ATOM 0 HA LEU A 57 1.727 -8.931 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.280 -7.140 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.046 -8.228 7.228 1.00 0.00 H new ATOM 0 HG LEU A 57 2.002 -9.187 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.947 -9.895 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.892 -8.127 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.048 -9.094 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.070 -11.390 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.166 -10.669 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.415 -10.732 7.056 1.00 0.00 H new ATOM 825 N THR A 58 2.815 -7.419 9.775 1.00 0.00 N ATOM 826 CA THR A 58 3.233 -6.531 10.859 1.00 0.00 C ATOM 827 C THR A 58 4.410 -5.665 10.401 1.00 0.00 C ATOM 828 O THR A 58 5.048 -5.968 9.390 1.00 0.00 O ATOM 829 CB THR A 58 3.577 -7.335 12.125 1.00 0.00 C ATOM 830 OG1 THR A 58 4.560 -8.320 11.857 1.00 0.00 O ATOM 831 CG2 THR A 58 2.340 -7.983 12.751 1.00 0.00 C ATOM 0 H THR A 58 3.031 -8.403 9.935 1.00 0.00 H new ATOM 0 HA THR A 58 2.405 -5.870 11.114 1.00 0.00 H new ATOM 0 HB THR A 58 3.981 -6.623 12.845 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.760 -8.814 12.679 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.632 -8.540 13.641 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.623 -7.209 13.026 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.882 -8.663 12.032 1.00 0.00 H new ATOM 839 N GLN A 59 4.757 -4.621 11.167 1.00 0.00 N ATOM 840 CA GLN A 59 5.933 -3.808 10.875 1.00 0.00 C ATOM 841 C GLN A 59 7.181 -4.689 10.783 1.00 0.00 C ATOM 842 O GLN A 59 7.993 -4.478 9.885 1.00 0.00 O ATOM 843 CB GLN A 59 6.117 -2.700 11.925 1.00 0.00 C ATOM 844 CG GLN A 59 7.208 -1.695 11.515 1.00 0.00 C ATOM 845 CD GLN A 59 7.401 -0.610 12.571 1.00 0.00 C ATOM 846 OE1 GLN A 59 6.628 0.342 12.653 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.426 -0.730 13.398 1.00 0.00 N ATOM 0 H GLN A 59 4.236 -4.324 11.992 1.00 0.00 H new ATOM 0 HA GLN A 59 5.781 -3.325 9.910 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.173 -2.173 12.066 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.378 -3.148 12.884 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.149 -2.223 11.359 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.940 -1.234 10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.057 -1.527 13.315 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.585 -0.026 14.119 1.00 0.00 H new ATOM 856 N GLY A 60 7.351 -5.661 11.681 1.00 0.00 N ATOM 857 CA GLY A 60 8.554 -6.481 11.699 1.00 0.00 C ATOM 858 C GLY A 60 8.545 -7.559 10.619 1.00 0.00 C ATOM 859 O GLY A 60 9.609 -7.862 10.080 1.00 0.00 O ATOM 0 H GLY A 60 6.669 -5.896 12.403 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.427 -5.842 11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.654 -6.952 12.677 1.00 0.00 H new ATOM 863 N SER A 61 7.374 -8.102 10.265 1.00 0.00 N ATOM 864 CA SER A 61 7.276 -9.069 9.176 1.00 0.00 C ATOM 865 C SER A 61 7.488 -8.378 7.831 1.00 0.00 C ATOM 866 O SER A 61 8.235 -8.885 6.998 1.00 0.00 O ATOM 867 CB SER A 61 5.924 -9.779 9.192 1.00 0.00 C ATOM 868 OG SER A 61 5.709 -10.429 10.432 1.00 0.00 O ATOM 0 H SER A 61 6.486 -7.886 10.718 1.00 0.00 H new ATOM 0 HA SER A 61 8.057 -9.816 9.319 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.127 -9.057 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.882 -10.508 8.383 1.00 0.00 H new ATOM 0 HG SER A 61 5.299 -9.802 11.063 1.00 0.00 H new ATOM 874 N VAL A 62 6.872 -7.213 7.603 1.00 0.00 N ATOM 875 CA VAL A 62 7.105 -6.480 6.368 1.00 0.00 C ATOM 876 C VAL A 62 8.557 -5.998 6.330 1.00 0.00 C ATOM 877 O VAL A 62 9.161 -5.977 5.259 1.00 0.00 O ATOM 878 CB VAL A 62 6.065 -5.350 6.184 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.523 -3.959 6.647 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.670 -5.288 4.710 1.00 0.00 C ATOM 0 H VAL A 62 6.220 -6.769 8.249 1.00 0.00 H new ATOM 0 HA VAL A 62 6.964 -7.139 5.511 1.00 0.00 H new ATOM 0 HB VAL A 62 5.223 -5.605 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.724 -3.237 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.763 -3.990 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.408 -3.661 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.936 -4.495 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.553 -5.082 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.238 -6.242 4.409 1.00 0.00 H new ATOM 890 N SER A 63 9.139 -5.642 7.481 1.00 0.00 N ATOM 891 CA SER A 63 10.551 -5.329 7.545 1.00 0.00 C ATOM 892 C SER A 63 11.361 -6.531 7.098 1.00 0.00 C ATOM 893 O SER A 63 12.181 -6.357 6.215 1.00 0.00 O ATOM 894 CB SER A 63 10.982 -4.862 8.927 1.00 0.00 C ATOM 895 OG SER A 63 10.401 -3.613 9.217 1.00 0.00 O ATOM 0 H SER A 63 8.647 -5.567 8.371 1.00 0.00 H new ATOM 0 HA SER A 63 10.739 -4.495 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.683 -5.594 9.677 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.068 -4.786 8.972 1.00 0.00 H new ATOM 0 HG SER A 63 9.452 -3.735 9.430 1.00 0.00 H new ATOM 901 N ASP A 64 11.126 -7.733 7.628 1.00 0.00 N ATOM 902 CA ASP A 64 11.828 -8.933 7.171 1.00 0.00 C ATOM 903 C ASP A 64 11.675 -9.143 5.663 1.00 0.00 C ATOM 904 O ASP A 64 12.657 -9.456 4.985 1.00 0.00 O ATOM 905 CB ASP A 64 11.345 -10.164 7.941 1.00 0.00 C ATOM 906 CG ASP A 64 11.881 -11.455 7.323 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.116 -11.571 7.154 1.00 0.00 O ATOM 908 OD2 ASP A 64 11.062 -12.356 7.015 1.00 0.00 O ATOM 0 H ASP A 64 10.453 -7.901 8.376 1.00 0.00 H new ATOM 0 HA ASP A 64 12.889 -8.789 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.668 -10.095 8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.255 -10.187 7.947 1.00 0.00 H new ATOM 913 N LEU A 65 10.470 -8.911 5.129 1.00 0.00 N ATOM 914 CA LEU A 65 10.198 -9.084 3.709 1.00 0.00 C ATOM 915 C LEU A 65 11.052 -8.137 2.868 1.00 0.00 C ATOM 916 O LEU A 65 11.581 -8.538 1.835 1.00 0.00 O ATOM 917 CB LEU A 65 8.697 -8.877 3.413 1.00 0.00 C ATOM 918 CG LEU A 65 8.216 -9.834 2.310 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.031 -11.242 2.889 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.886 -9.383 1.698 1.00 0.00 C ATOM 0 H LEU A 65 9.664 -8.600 5.671 1.00 0.00 H new ATOM 0 HA LEU A 65 10.463 -10.106 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.117 -9.042 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.522 -7.846 3.107 1.00 0.00 H new ATOM 0 HG LEU A 65 8.976 -9.833 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.690 -11.916 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.981 -11.599 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.291 -11.212 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.584 -10.088 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.122 -9.348 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.004 -8.392 1.260 1.00 0.00 H new ATOM 932 N LEU A 66 11.170 -6.883 3.306 1.00 0.00 N ATOM 933 CA LEU A 66 11.878 -5.820 2.601 1.00 0.00 C ATOM 934 C LEU A 66 13.385 -5.819 2.889 1.00 0.00 C ATOM 935 O LEU A 66 14.169 -5.344 2.069 1.00 0.00 O ATOM 936 CB LEU A 66 11.237 -4.474 2.988 1.00 0.00 C ATOM 937 CG LEU A 66 9.771 -4.310 2.535 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.196 -2.979 3.022 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.667 -4.406 1.019 1.00 0.00 C ATOM 0 H LEU A 66 10.762 -6.572 4.188 1.00 0.00 H new ATOM 0 HA LEU A 66 11.784 -5.990 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.284 -4.362 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.830 -3.667 2.558 1.00 0.00 H new ATOM 0 HG LEU A 66 9.188 -5.118 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.162 -2.886 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.232 -2.944 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.783 -2.157 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.626 -4.288 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.268 -3.620 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.032 -5.379 0.690 1.00 0.00 H new ATOM 951 N SER A 67 13.788 -6.354 4.036 1.00 0.00 N ATOM 952 CA SER A 67 15.166 -6.602 4.447 1.00 0.00 C ATOM 953 C SER A 67 15.758 -7.694 3.562 1.00 0.00 C ATOM 954 O SER A 67 16.709 -7.442 2.813 1.00 0.00 O ATOM 955 CB SER A 67 15.250 -7.050 5.917 1.00 0.00 C ATOM 956 OG SER A 67 14.945 -6.019 6.833 1.00 0.00 O ATOM 0 H SER A 67 13.119 -6.645 4.749 1.00 0.00 H new ATOM 0 HA SER A 67 15.724 -5.671 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.564 -7.882 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.255 -7.421 6.120 1.00 0.00 H new ATOM 0 HG SER A 67 13.977 -5.866 6.843 1.00 0.00 H new ATOM 962 N ARG A 68 15.216 -8.913 3.662 1.00 0.00 N ATOM 963 CA ARG A 68 15.748 -10.109 3.024 1.00 0.00 C ATOM 964 C ARG A 68 14.597 -10.789 2.278 1.00 0.00 C ATOM 965 O ARG A 68 14.037 -11.773 2.776 1.00 0.00 O ATOM 966 CB ARG A 68 16.446 -11.014 4.061 1.00 0.00 C ATOM 967 CG ARG A 68 17.610 -10.321 4.800 1.00 0.00 C ATOM 968 CD ARG A 68 18.634 -11.321 5.356 1.00 0.00 C ATOM 969 NE ARG A 68 19.438 -11.884 4.260 1.00 0.00 N ATOM 970 CZ ARG A 68 20.476 -12.720 4.339 1.00 0.00 C ATOM 971 NH1 ARG A 68 20.923 -13.200 5.491 1.00 0.00 N ATOM 972 NH2 ARG A 68 21.067 -13.072 3.210 1.00 0.00 N ATOM 0 H ARG A 68 14.372 -9.093 4.205 1.00 0.00 H new ATOM 0 HA ARG A 68 16.523 -9.865 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.710 -11.349 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.824 -11.904 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.111 -9.634 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.211 -9.722 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.284 -10.825 6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.120 -12.121 5.889 1.00 0.00 H new ATOM 0 HE ARG A 68 19.168 -11.599 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.470 -12.933 6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.720 -13.837 5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.727 -12.707 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.863 -13.709 3.228 1.00 0.00 H new ATOM 986 N PRO A 69 14.220 -10.289 1.090 1.00 0.00 N ATOM 987 CA PRO A 69 13.247 -10.948 0.234 1.00 0.00 C ATOM 988 C PRO A 69 13.881 -12.221 -0.314 1.00 0.00 C ATOM 989 O PRO A 69 14.942 -12.178 -0.939 1.00 0.00 O ATOM 990 CB PRO A 69 12.945 -9.958 -0.889 1.00 0.00 C ATOM 991 CG PRO A 69 14.236 -9.160 -0.998 1.00 0.00 C ATOM 992 CD PRO A 69 14.726 -9.087 0.443 1.00 0.00 C ATOM 0 HA PRO A 69 12.331 -11.223 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.705 -10.467 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.095 -9.320 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.961 -9.654 -1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.062 -8.168 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.814 -9.048 0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.355 -8.190 0.938 1.00 0.00 H new ATOM 1000 N LYS A 70 13.246 -13.368 -0.105 1.00 0.00 N ATOM 1001 CA LYS A 70 13.622 -14.576 -0.823 1.00 0.00 C ATOM 1002 C LYS A 70 13.345 -14.400 -2.322 1.00 0.00 C ATOM 1003 O LYS A 70 12.522 -13.562 -2.708 1.00 0.00 O ATOM 1004 CB LYS A 70 12.882 -15.768 -0.206 1.00 0.00 C ATOM 1005 CG LYS A 70 13.677 -16.250 1.023 1.00 0.00 C ATOM 1006 CD LYS A 70 12.913 -17.286 1.847 1.00 0.00 C ATOM 1007 CE LYS A 70 11.723 -16.640 2.568 1.00 0.00 C ATOM 1008 NZ LYS A 70 12.114 -16.101 3.885 1.00 0.00 N ATOM 0 H LYS A 70 12.474 -13.485 0.551 1.00 0.00 H new ATOM 0 HA LYS A 70 14.691 -14.770 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.872 -15.478 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.785 -16.573 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.623 -16.679 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.917 -15.394 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.559 -18.085 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.582 -17.742 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.315 -15.838 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.931 -17.377 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.285 -15.672 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.480 -16.871 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.853 -15.380 3.760 1.00 0.00 H new ATOM 1022 N PRO A 71 14.016 -15.185 -3.177 1.00 0.00 N ATOM 1023 CA PRO A 71 13.821 -15.130 -4.617 1.00 0.00 C ATOM 1024 C PRO A 71 12.432 -15.654 -4.978 1.00 0.00 C ATOM 1025 O PRO A 71 11.854 -16.446 -4.232 1.00 0.00 O ATOM 1026 CB PRO A 71 14.937 -15.994 -5.204 1.00 0.00 C ATOM 1027 CG PRO A 71 15.290 -16.965 -4.100 1.00 0.00 C ATOM 1028 CD PRO A 71 15.009 -16.181 -2.818 1.00 0.00 C ATOM 0 HA PRO A 71 13.869 -14.116 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.603 -16.517 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.798 -15.389 -5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.685 -17.870 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.333 -17.275 -4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.638 -16.837 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.917 -15.711 -2.440 1.00 0.00 H new ATOM 1036 N TRP A 72 11.924 -15.282 -6.153 1.00 0.00 N ATOM 1037 CA TRP A 72 10.603 -15.702 -6.601 1.00 0.00 C ATOM 1038 C TRP A 72 10.474 -17.225 -6.614 1.00 0.00 C ATOM 1039 O TRP A 72 9.487 -17.748 -6.099 1.00 0.00 O ATOM 1040 CB TRP A 72 10.294 -15.094 -7.965 1.00 0.00 C ATOM 1041 CG TRP A 72 8.939 -15.432 -8.500 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.672 -16.512 -9.262 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.664 -14.737 -8.340 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.361 -16.479 -9.675 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.681 -15.436 -9.101 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.225 -13.597 -7.633 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.342 -15.043 -9.155 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 5.877 -13.188 -7.679 1.00 0.00 C ATOM 1049 CH2 TRP A 72 4.940 -13.911 -8.440 1.00 0.00 C ATOM 0 H TRP A 72 12.417 -14.684 -6.816 1.00 0.00 H new ATOM 0 HA TRP A 72 9.863 -15.333 -5.891 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.383 -14.010 -7.895 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.047 -15.430 -8.678 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.382 -17.287 -9.511 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.947 -17.146 -10.326 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.933 -13.029 -7.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.629 -15.605 -9.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.562 -12.315 -7.127 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.909 -13.591 -8.472 1.00 0.00 H new ATOM 1060 N HIS A 73 11.474 -17.962 -7.118 1.00 0.00 N ATOM 1061 CA HIS A 73 11.413 -19.423 -7.126 1.00 0.00 C ATOM 1062 C HIS A 73 11.235 -20.007 -5.715 1.00 0.00 C ATOM 1063 O HIS A 73 10.505 -20.982 -5.542 1.00 0.00 O ATOM 1064 CB HIS A 73 12.631 -20.027 -7.839 1.00 0.00 C ATOM 1065 CG HIS A 73 13.926 -20.003 -7.065 1.00 0.00 C ATOM 1066 ND1 HIS A 73 14.948 -19.093 -7.215 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.301 -20.903 -6.104 1.00 0.00 C ATOM 1068 CE1 HIS A 73 15.914 -19.432 -6.343 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.565 -20.527 -5.643 1.00 0.00 N ATOM 0 H HIS A 73 12.326 -17.571 -7.521 1.00 0.00 H new ATOM 0 HA HIS A 73 10.525 -19.702 -7.693 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.402 -21.062 -8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.781 -19.492 -8.777 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.724 -21.750 -5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.844 -18.897 -6.221 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.114 -20.991 -4.919 1.00 0.00 H new ATOM 1077 N LYS A 74 11.886 -19.422 -4.699 1.00 0.00 N ATOM 1078 CA LYS A 74 11.809 -19.891 -3.313 1.00 0.00 C ATOM 1079 C LYS A 74 10.421 -19.685 -2.743 1.00 0.00 C ATOM 1080 O LYS A 74 10.013 -20.439 -1.857 1.00 0.00 O ATOM 1081 CB LYS A 74 12.804 -19.121 -2.429 1.00 0.00 C ATOM 1082 CG LYS A 74 14.196 -19.757 -2.440 1.00 0.00 C ATOM 1083 CD LYS A 74 14.285 -20.806 -1.330 1.00 0.00 C ATOM 1084 CE LYS A 74 15.523 -21.683 -1.491 1.00 0.00 C ATOM 1085 NZ LYS A 74 15.768 -22.473 -0.270 1.00 0.00 N ATOM 0 H LYS A 74 12.484 -18.605 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 74 12.050 -20.954 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.874 -18.090 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.429 -19.088 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.389 -20.219 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.959 -18.992 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.312 -20.310 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.391 -21.430 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.392 -22.352 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.391 -21.059 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.615 -23.062 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.915 -21.831 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.948 -23.083 -0.081 1.00 0.00 H new ATOM 1099 N LEU A 75 9.739 -18.630 -3.156 1.00 0.00 N ATOM 1100 CA LEU A 75 8.406 -18.333 -2.688 1.00 0.00 C ATOM 1101 C LEU A 75 7.462 -19.255 -3.445 1.00 0.00 C ATOM 1102 O LEU A 75 7.585 -19.405 -4.657 1.00 0.00 O ATOM 1103 CB LEU A 75 8.111 -16.856 -2.956 1.00 0.00 C ATOM 1104 CG LEU A 75 9.011 -15.902 -2.147 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.876 -14.510 -2.741 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.656 -15.844 -0.656 1.00 0.00 C ATOM 0 H LEU A 75 10.101 -17.955 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 75 8.288 -18.498 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.240 -16.653 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.067 -16.651 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 75 10.031 -16.280 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.505 -13.815 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.190 -14.528 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.837 -14.188 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.329 -15.154 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.628 -15.500 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.758 -16.837 -0.219 1.00 0.00 H new ATOM 1118 N SER A 76 6.517 -19.867 -2.745 1.00 0.00 N ATOM 1119 CA SER A 76 5.361 -20.521 -3.347 1.00 0.00 C ATOM 1120 C SER A 76 4.286 -19.470 -3.648 1.00 0.00 C ATOM 1121 O SER A 76 4.506 -18.294 -3.376 1.00 0.00 O ATOM 1122 CB SER A 76 4.881 -21.587 -2.362 1.00 0.00 C ATOM 1123 OG SER A 76 5.925 -22.519 -2.142 1.00 0.00 O ATOM 0 H SER A 76 6.531 -19.925 -1.727 1.00 0.00 H new ATOM 0 HA SER A 76 5.606 -21.001 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.586 -21.123 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.001 -22.095 -2.757 1.00 0.00 H new ATOM 0 HG SER A 76 5.624 -23.204 -1.510 1.00 0.00 H new ATOM 1129 N LEU A 77 3.105 -19.859 -4.140 1.00 0.00 N ATOM 1130 CA LEU A 77 1.993 -18.941 -4.430 1.00 0.00 C ATOM 1131 C LEU A 77 1.721 -18.002 -3.251 1.00 0.00 C ATOM 1132 O LEU A 77 1.807 -16.786 -3.380 1.00 0.00 O ATOM 1133 CB LEU A 77 0.728 -19.732 -4.785 1.00 0.00 C ATOM 1134 CG LEU A 77 0.813 -20.417 -6.159 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.332 -21.409 -6.288 1.00 0.00 C ATOM 1136 CD2 LEU A 77 0.738 -19.422 -7.313 1.00 0.00 C ATOM 0 H LEU A 77 2.889 -20.833 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 77 2.279 -18.329 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.552 -20.487 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.130 -19.059 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 77 1.779 -20.919 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.280 -21.900 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.256 -22.157 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.282 -20.882 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.803 -19.958 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.207 -18.881 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.565 -18.716 -7.239 1.00 0.00 H new ATOM 1148 N LYS A 78 1.467 -18.565 -2.070 1.00 0.00 N ATOM 1149 CA LYS A 78 1.319 -17.815 -0.824 1.00 0.00 C ATOM 1150 C LYS A 78 2.518 -16.912 -0.511 1.00 0.00 C ATOM 1151 O LYS A 78 2.385 -15.869 0.127 1.00 0.00 O ATOM 1152 CB LYS A 78 1.023 -18.743 0.359 1.00 0.00 C ATOM 1153 CG LYS A 78 1.930 -19.978 0.474 1.00 0.00 C ATOM 1154 CD LYS A 78 1.420 -21.153 -0.372 1.00 0.00 C ATOM 1155 CE LYS A 78 1.942 -22.503 0.138 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.105 -23.057 1.225 1.00 0.00 N ATOM 0 H LYS A 78 1.357 -19.572 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 78 0.463 -17.158 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.105 -18.166 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.011 -19.079 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.940 -19.716 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.993 -20.285 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.330 -21.160 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.729 -21.014 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.975 -23.212 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.964 -22.382 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.498 -23.968 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.093 -22.394 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.135 -23.198 0.878 1.00 0.00 H new ATOM 1170 N GLY A 79 3.717 -17.322 -0.912 1.00 0.00 N ATOM 1171 CA GLY A 79 4.941 -16.550 -0.796 1.00 0.00 C ATOM 1172 C GLY A 79 4.912 -15.312 -1.680 1.00 0.00 C ATOM 1173 O GLY A 79 5.372 -14.248 -1.269 1.00 0.00 O ATOM 0 H GLY A 79 3.864 -18.235 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.086 -16.252 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.792 -17.173 -1.071 1.00 0.00 H new ATOM 1177 N ARG A 80 4.404 -15.466 -2.899 1.00 0.00 N ATOM 1178 CA ARG A 80 4.407 -14.486 -3.973 1.00 0.00 C ATOM 1179 C ARG A 80 3.262 -13.490 -3.834 1.00 0.00 C ATOM 1180 O ARG A 80 3.423 -12.348 -4.251 1.00 0.00 O ATOM 1181 CB ARG A 80 4.275 -15.276 -5.277 1.00 0.00 C ATOM 1182 CG ARG A 80 5.494 -16.172 -5.537 1.00 0.00 C ATOM 1183 CD ARG A 80 5.141 -17.289 -6.531 1.00 0.00 C ATOM 1184 NE ARG A 80 6.301 -18.162 -6.743 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.663 -18.869 -7.817 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.875 -19.026 -8.874 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.874 -19.407 -7.819 1.00 0.00 N ATOM 0 H ARG A 80 3.951 -16.336 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 80 5.325 -13.899 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.376 -15.891 -5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.151 -14.583 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.315 -15.573 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.839 -16.608 -4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.302 -17.872 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.824 -16.855 -7.480 1.00 0.00 H new ATOM 0 HE ARG A 80 6.930 -18.242 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.950 -18.597 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.195 -19.575 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.492 -19.274 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.188 -19.954 -8.621 1.00 0.00 H new ATOM 1201 N GLU A 81 2.157 -13.889 -3.197 1.00 0.00 N ATOM 1202 CA GLU A 81 0.980 -13.078 -2.874 1.00 0.00 C ATOM 1203 C GLU A 81 1.306 -11.617 -2.536 1.00 0.00 C ATOM 1204 O GLU A 81 0.722 -10.721 -3.147 1.00 0.00 O ATOM 1205 CB GLU A 81 0.173 -13.759 -1.744 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.280 -13.979 -2.136 1.00 0.00 C ATOM 1207 CD GLU A 81 -2.056 -14.808 -1.104 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.606 -15.924 -0.764 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -3.127 -14.365 -0.637 1.00 0.00 O ATOM 0 H GLU A 81 2.055 -14.850 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 81 0.370 -13.026 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.631 -14.717 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.217 -13.144 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.768 -13.012 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.319 -14.482 -3.102 1.00 0.00 H new ATOM 1216 N PRO A 82 2.204 -11.330 -1.578 1.00 0.00 N ATOM 1217 CA PRO A 82 2.528 -9.962 -1.226 1.00 0.00 C ATOM 1218 C PRO A 82 3.321 -9.267 -2.332 1.00 0.00 C ATOM 1219 O PRO A 82 2.998 -8.136 -2.665 1.00 0.00 O ATOM 1220 CB PRO A 82 3.298 -10.030 0.096 1.00 0.00 C ATOM 1221 CG PRO A 82 3.873 -11.440 0.107 1.00 0.00 C ATOM 1222 CD PRO A 82 2.833 -12.254 -0.657 1.00 0.00 C ATOM 0 HA PRO A 82 1.627 -9.360 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.084 -9.277 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.643 -9.858 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.849 -11.479 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.006 -11.811 1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.300 -13.081 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.100 -12.688 0.023 1.00 0.00 H new ATOM 1230 N PHE A 83 4.338 -9.905 -2.920 1.00 0.00 N ATOM 1231 CA PHE A 83 5.180 -9.279 -3.941 1.00 0.00 C ATOM 1232 C PHE A 83 4.387 -8.939 -5.201 1.00 0.00 C ATOM 1233 O PHE A 83 4.687 -7.933 -5.839 1.00 0.00 O ATOM 1234 CB PHE A 83 6.379 -10.161 -4.302 1.00 0.00 C ATOM 1235 CG PHE A 83 7.309 -10.446 -3.141 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.024 -11.497 -2.250 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.465 -9.666 -2.952 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.881 -11.764 -1.169 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.329 -9.949 -1.881 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.044 -10.997 -0.990 1.00 0.00 C ATOM 0 H PHE A 83 4.599 -10.867 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 83 5.551 -8.350 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.013 -11.107 -4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.946 -9.677 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.142 -12.102 -2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.687 -8.853 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.646 -12.558 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.220 -9.355 -1.741 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.715 -11.212 -0.172 1.00 0.00 H new ATOM 1250 N VAL A 84 3.366 -9.731 -5.538 1.00 0.00 N ATOM 1251 CA VAL A 84 2.417 -9.387 -6.587 1.00 0.00 C ATOM 1252 C VAL A 84 1.726 -8.076 -6.207 1.00 0.00 C ATOM 1253 O VAL A 84 1.815 -7.124 -6.975 1.00 0.00 O ATOM 1254 CB VAL A 84 1.473 -10.578 -6.854 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.304 -10.256 -7.793 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.291 -11.704 -7.504 1.00 0.00 C ATOM 0 H VAL A 84 3.178 -10.627 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 84 2.911 -9.206 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 84 1.046 -10.856 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.310 -11.146 -7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.301 -9.459 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.692 -9.933 -8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.642 -12.557 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.719 -11.348 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.093 -12.006 -6.831 1.00 0.00 H new ATOM 1266 N ARG A 85 1.119 -7.968 -5.017 1.00 0.00 N ATOM 1267 CA ARG A 85 0.511 -6.707 -4.599 1.00 0.00 C ATOM 1268 C ARG A 85 1.519 -5.565 -4.601 1.00 0.00 C ATOM 1269 O ARG A 85 1.164 -4.463 -4.977 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.135 -6.810 -3.218 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.381 -7.699 -3.186 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.937 -7.663 -1.766 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.346 -8.071 -1.666 1.00 0.00 N ATOM 1274 CZ ARG A 85 -3.943 -8.352 -0.504 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -3.240 -8.801 0.530 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.242 -8.153 -0.380 1.00 0.00 N ATOM 0 H ARG A 85 1.039 -8.727 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.267 -6.492 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.598 -7.201 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.404 -5.810 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.125 -7.341 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.130 -8.720 -3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.335 -8.316 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.833 -6.652 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.893 -8.143 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.233 -8.935 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.708 -9.012 1.412 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.779 -7.788 -1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.708 -8.364 0.502 1.00 0.00 H new ATOM 1290 N MET A 86 2.778 -5.777 -4.216 1.00 0.00 N ATOM 1291 CA MET A 86 3.790 -4.737 -4.266 1.00 0.00 C ATOM 1292 C MET A 86 4.023 -4.259 -5.695 1.00 0.00 C ATOM 1293 O MET A 86 4.007 -3.055 -5.933 1.00 0.00 O ATOM 1294 CB MET A 86 5.087 -5.248 -3.651 1.00 0.00 C ATOM 1295 CG MET A 86 4.910 -5.553 -2.165 1.00 0.00 C ATOM 1296 SD MET A 86 6.400 -5.327 -1.173 1.00 0.00 S ATOM 1297 CE MET A 86 7.028 -6.978 -1.431 1.00 0.00 C ATOM 0 H MET A 86 3.118 -6.672 -3.863 1.00 0.00 H new ATOM 0 HA MET A 86 3.435 -3.883 -3.689 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.411 -6.148 -4.174 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.873 -4.504 -3.781 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.123 -4.913 -1.767 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.569 -6.583 -2.056 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.839 -7.173 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.228 -7.701 -1.271 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.401 -7.070 -2.451 1.00 0.00 H new ATOM 1307 N GLN A 87 4.239 -5.181 -6.638 1.00 0.00 N ATOM 1308 CA GLN A 87 4.368 -4.854 -8.055 1.00 0.00 C ATOM 1309 C GLN A 87 3.153 -4.034 -8.519 1.00 0.00 C ATOM 1310 O GLN A 87 3.325 -2.979 -9.123 1.00 0.00 O ATOM 1311 CB GLN A 87 4.531 -6.144 -8.880 1.00 0.00 C ATOM 1312 CG GLN A 87 4.700 -5.912 -10.390 1.00 0.00 C ATOM 1313 CD GLN A 87 6.039 -5.284 -10.766 1.00 0.00 C ATOM 1314 OE1 GLN A 87 7.059 -6.089 -11.009 1.00 0.00 O flip ATOM 1315 NE2 GLN A 87 6.187 -4.063 -10.857 1.00 0.00 N flip ATOM 0 H GLN A 87 4.329 -6.177 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 87 5.259 -4.245 -8.208 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.398 -6.691 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.660 -6.778 -8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.597 -6.865 -10.909 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.894 -5.268 -10.742 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.402 -3.439 -10.670 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.094 -3.677 -11.119 1.00 0.00 H new ATOM 1324 N LEU A 88 1.935 -4.518 -8.254 1.00 0.00 N ATOM 1325 CA LEU A 88 0.705 -3.887 -8.720 1.00 0.00 C ATOM 1326 C LEU A 88 0.448 -2.554 -8.017 1.00 0.00 C ATOM 1327 O LEU A 88 -0.043 -1.625 -8.659 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.500 -4.830 -8.528 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.770 -5.862 -9.644 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.792 -5.266 -11.054 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.199 -7.042 -9.644 1.00 0.00 C ATOM 0 H LEU A 88 1.779 -5.364 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 88 0.830 -3.684 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.360 -5.372 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.394 -4.217 -8.410 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.769 -6.220 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.987 -6.055 -11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.576 -4.512 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.172 -4.806 -11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.056 -7.722 -10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.217 -6.677 -9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.129 -7.570 -8.693 1.00 0.00 H new ATOM 1343 N TRP A 89 0.779 -2.418 -6.730 1.00 0.00 N ATOM 1344 CA TRP A 89 0.654 -1.181 -5.975 1.00 0.00 C ATOM 1345 C TRP A 89 1.576 -0.167 -6.627 1.00 0.00 C ATOM 1346 O TRP A 89 1.136 0.915 -6.975 1.00 0.00 O ATOM 1347 CB TRP A 89 0.980 -1.416 -4.489 1.00 0.00 C ATOM 1348 CG TRP A 89 0.904 -0.218 -3.588 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.214 0.238 -2.979 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.973 0.683 -3.168 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.083 1.371 -2.248 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.425 1.668 -2.293 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.355 0.762 -3.438 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.202 2.677 -1.708 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.152 1.768 -2.853 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.578 2.723 -1.991 1.00 0.00 C ATOM 0 H TRP A 89 1.151 -3.189 -6.175 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.368 -0.803 -5.994 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.297 -2.174 -4.106 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.986 -1.830 -4.422 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.191 -0.215 -3.053 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.608 1.920 -1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.810 0.042 -4.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.751 3.406 -1.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.210 1.806 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.195 3.490 -1.548 1.00 0.00 H new ATOM 1367 N LEU A 90 2.830 -0.530 -6.902 1.00 0.00 N ATOM 1368 CA LEU A 90 3.780 0.342 -7.589 1.00 0.00 C ATOM 1369 C LEU A 90 3.323 0.775 -8.990 1.00 0.00 C ATOM 1370 O LEU A 90 3.920 1.690 -9.564 1.00 0.00 O ATOM 1371 CB LEU A 90 5.121 -0.380 -7.712 1.00 0.00 C ATOM 1372 CG LEU A 90 5.913 -0.459 -6.402 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.110 -1.375 -6.671 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.334 0.938 -5.925 1.00 0.00 C ATOM 0 H LEU A 90 3.215 -1.441 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 90 3.861 1.248 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.944 -1.391 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.728 0.129 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 90 5.307 -0.867 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.710 -1.465 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.754 -2.361 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.720 -0.952 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.894 0.851 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.961 1.408 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.446 1.549 -5.759 1.00 0.00 H new ATOM 1386 N ASN A 91 2.330 0.105 -9.575 1.00 0.00 N ATOM 1387 CA ASN A 91 1.796 0.428 -10.893 1.00 0.00 C ATOM 1388 C ASN A 91 0.527 1.272 -10.806 1.00 0.00 C ATOM 1389 O ASN A 91 0.134 1.841 -11.821 1.00 0.00 O ATOM 1390 CB ASN A 91 1.489 -0.848 -11.691 1.00 0.00 C ATOM 1391 CG ASN A 91 2.716 -1.697 -11.988 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.851 -1.223 -12.012 1.00 0.00 O ATOM 1393 ND2 ASN A 91 2.516 -2.978 -12.254 1.00 0.00 N ATOM 0 H ASN A 91 1.868 -0.691 -9.136 1.00 0.00 H new ATOM 0 HA ASN A 91 2.566 1.006 -11.404 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.769 -1.449 -11.135 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.014 -0.571 -12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.307 -3.581 -12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.571 -3.362 -12.232 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.146 1.361 -9.657 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.304 2.250 -9.512 1.00 0.00 C ATOM 1402 C ASP A 92 -0.751 3.671 -9.366 1.00 0.00 C ATOM 1403 O ASP A 92 0.262 3.849 -8.684 1.00 0.00 O ATOM 1404 CB ASP A 92 -2.168 1.837 -8.295 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.679 1.788 -8.571 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -4.080 1.568 -9.739 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.463 1.884 -7.595 1.00 0.00 O ATOM 0 H ASP A 92 0.088 0.832 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.961 2.189 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.843 0.855 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.983 2.537 -7.480 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.354 4.703 -9.977 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.826 6.057 -9.899 1.00 0.00 C ATOM 1414 C PRO A 93 -0.975 6.570 -8.473 1.00 0.00 C ATOM 1415 O PRO A 93 0.004 6.982 -7.849 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.631 6.877 -10.907 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.927 6.094 -11.117 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.582 4.659 -10.747 1.00 0.00 C ATOM 0 HA PRO A 93 0.235 6.118 -10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.833 7.879 -10.528 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.086 6.995 -11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.729 6.482 -10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.268 6.165 -12.150 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.386 4.207 -10.166 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.454 4.050 -11.642 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.199 6.459 -7.955 1.00 0.00 N ATOM 1427 CA HIS A 94 -2.666 6.880 -6.644 1.00 0.00 C ATOM 1428 C HIS A 94 -2.214 5.942 -5.521 1.00 0.00 C ATOM 1429 O HIS A 94 -2.773 5.982 -4.433 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.193 6.966 -6.690 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.704 7.819 -7.817 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.522 7.391 -8.822 1.00 0.00 N flip ATOM 1433 CD2 HIS A 94 -4.323 9.112 -8.098 1.00 0.00 C flip ATOM 1434 CE1 HIS A 94 -5.670 8.451 -9.723 1.00 0.00 C flip ATOM 1435 NE2 HIS A 94 -4.907 9.461 -9.255 1.00 0.00 N flip ATOM 0 H HIS A 94 -2.952 6.033 -8.495 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.228 7.852 -6.416 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.604 5.961 -6.788 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.557 7.368 -5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.673 9.732 -7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -6.276 8.459 -10.617 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.790 10.363 -9.716 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.255 5.055 -5.758 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.824 4.049 -4.794 1.00 0.00 C ATOM 1445 C ASN A 95 -0.399 4.650 -3.453 1.00 0.00 C ATOM 1446 O ASN A 95 -0.870 4.197 -2.405 1.00 0.00 O ATOM 1447 CB ASN A 95 0.292 3.211 -5.416 1.00 0.00 C ATOM 1448 CG ASN A 95 1.607 3.949 -5.645 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.613 5.117 -6.026 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.748 3.324 -5.423 1.00 0.00 N ATOM 0 H ASN A 95 -0.746 5.014 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.677 3.410 -4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.483 2.353 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.058 2.820 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.633 3.811 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.745 2.354 -5.107 1.00 0.00 H new ATOM 1457 N VAL A 96 0.463 5.667 -3.472 1.00 0.00 N ATOM 1458 CA VAL A 96 0.911 6.394 -2.308 1.00 0.00 C ATOM 1459 C VAL A 96 -0.278 7.148 -1.714 1.00 0.00 C ATOM 1460 O VAL A 96 -0.417 7.187 -0.496 1.00 0.00 O ATOM 1461 CB VAL A 96 2.058 7.327 -2.744 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.585 8.146 -1.577 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.256 6.545 -3.302 1.00 0.00 C ATOM 0 H VAL A 96 0.878 6.012 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 96 1.293 5.733 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 96 1.630 7.971 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.393 8.792 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.780 8.757 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.961 7.477 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.040 7.242 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.639 5.871 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.940 5.966 -4.170 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.130 7.731 -2.554 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.295 8.510 -2.152 1.00 0.00 C ATOM 1475 C GLU A 97 -3.296 7.658 -1.367 1.00 0.00 C ATOM 1476 O GLU A 97 -3.517 7.966 -0.199 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.913 9.179 -3.382 1.00 0.00 C ATOM 1478 CG GLU A 97 -1.999 10.283 -3.932 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.242 11.662 -3.334 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -2.852 11.780 -2.244 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -1.740 12.638 -3.940 1.00 0.00 O ATOM 0 H GLU A 97 -1.023 7.671 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.983 9.299 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.090 8.431 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.882 9.603 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.962 10.001 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.131 10.341 -5.012 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.833 6.569 -1.941 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.691 5.609 -1.235 1.00 0.00 C ATOM 1490 C LYS A 98 -4.015 5.164 0.053 1.00 0.00 C ATOM 1491 O LYS A 98 -4.656 5.123 1.097 1.00 0.00 O ATOM 1492 CB LYS A 98 -4.990 4.344 -2.064 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.184 4.395 -3.032 1.00 0.00 C ATOM 1494 CD LYS A 98 -5.854 4.988 -4.406 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.797 4.452 -5.491 1.00 0.00 C ATOM 1496 NZ LYS A 98 -6.388 3.119 -5.995 1.00 0.00 N ATOM 0 H LYS A 98 -3.680 6.329 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.631 6.126 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.098 4.102 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.154 3.519 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.570 3.385 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.981 4.983 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.929 6.075 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.823 4.750 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.808 4.390 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.827 5.157 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.162 2.707 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.543 3.218 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.172 2.495 -5.191 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.725 4.815 -0.004 1.00 0.00 N ATOM 1511 CA LEU A 99 -2.011 4.365 1.180 1.00 0.00 C ATOM 1512 C LEU A 99 -2.053 5.439 2.267 1.00 0.00 C ATOM 1513 O LEU A 99 -2.353 5.143 3.418 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.568 3.970 0.824 1.00 0.00 C ATOM 1515 CG LEU A 99 0.245 3.542 2.058 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.286 2.241 2.644 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.706 3.303 1.691 1.00 0.00 C ATOM 0 H LEU A 99 -2.163 4.838 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.505 3.477 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.585 3.153 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.073 4.812 0.340 1.00 0.00 H new ATOM 0 HG LEU A 99 0.156 4.351 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.309 1.965 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.326 2.374 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.222 1.452 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.260 3.002 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.768 2.515 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.135 4.221 1.290 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.749 6.692 1.946 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.772 7.779 2.891 1.00 0.00 C ATOM 1531 C ARG A 100 -3.184 8.091 3.379 1.00 0.00 C ATOM 1532 O ARG A 100 -3.331 8.554 4.516 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.181 8.983 2.165 1.00 0.00 C ATOM 1534 CG ARG A 100 -0.509 9.874 3.181 1.00 0.00 C ATOM 1535 CD ARG A 100 -0.244 11.214 2.522 1.00 0.00 C ATOM 1536 NE ARG A 100 0.569 12.088 3.368 1.00 0.00 N ATOM 1537 CZ ARG A 100 1.113 13.217 2.912 1.00 0.00 C ATOM 1538 NH1 ARG A 100 0.696 13.729 1.754 1.00 0.00 N ATOM 1539 NH2 ARG A 100 2.073 13.799 3.620 1.00 0.00 N ATOM 0 H ARG A 100 -1.477 6.975 1.005 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.200 7.517 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.462 8.656 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.964 9.531 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.144 9.999 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.424 9.426 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.263 11.056 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.192 11.703 2.301 1.00 0.00 H new ATOM 0 HE ARG A 100 0.725 11.825 4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.035 13.258 1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.108 14.592 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.383 13.382 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.500 14.663 3.286 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.193 7.855 2.539 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.613 8.021 2.835 1.00 0.00 C ATOM 1555 C ASP A 101 -5.961 7.217 4.077 1.00 0.00 C ATOM 1556 O ASP A 101 -6.561 7.760 4.992 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.477 7.593 1.631 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.833 8.292 1.556 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.016 9.340 2.206 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.650 7.907 0.684 1.00 0.00 O ATOM 0 H ASP A 101 -4.032 7.527 1.587 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.823 9.074 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.926 7.794 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.638 6.516 1.678 1.00 0.00 H new