USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 56 MET CE :methyl -152:sc= -5.17 (180deg=-8.15!) USER MOD Set 1.2: A 69 TYR OH : rot -150:sc= -4.49! USER MOD Set 2.1: A 43 GLN : amide:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.2: A 48 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 15 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.037) USER MOD Single : A 20 HIS : no HD1:sc= -0.0858 K(o=-0.086,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ -117:sc= -0.619 (180deg=-1.5!) USER MOD Single : A 25 GLN : amide:sc= -0.039 K(o=-0.039,f=-0.64) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.633 USER MOD Single : A 40 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 44 SER OG : rot 110:sc= -2.82! USER MOD Single : A 47 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=-0.00062) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.59 (180deg=-1.13) USER MOD Single : A 54 SER OG : rot -14:sc= 0.516! USER MOD Single : A 57 ASN : amide:sc= -2.32 K(o=-2.3,f=-4.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -5.65! C(o=-9.6!,f=-5.6!) USER MOD Single : A 61 ASN :FLIP amide:sc= -4.02! C(o=-7.7!,f=-4!) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.748 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -3.36! C(o=-3.4!,f=-5.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -29:sc= -1.15 USER MOD Single : A 77 TYR OH : rot 51:sc= -7.91! USER MOD Single : A 78 SER OG : rot 180:sc= -0.479 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.01 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.867 K(o=-0.87,f=-4.4!) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.839 F(o=-1.9!,f=-0.84) USER MOD Single : A 104 THR OG1 : rot 116:sc= -3.14! USER MOD Single : A 105 CYS SG : rot 180:sc= 0.377 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 0.407 -0.937 -2.509 1.00 0.00 N ATOM 174 CA VAL A 13 0.266 -2.350 -2.930 1.00 0.00 C ATOM 175 C VAL A 13 1.121 -2.653 -4.153 1.00 0.00 C ATOM 176 O VAL A 13 1.018 -1.993 -5.168 1.00 0.00 O ATOM 177 CB VAL A 13 -1.202 -2.595 -3.290 1.00 0.00 C ATOM 178 CG1 VAL A 13 -1.544 -1.814 -4.561 1.00 0.00 C ATOM 179 CG2 VAL A 13 -1.410 -4.088 -3.544 1.00 0.00 C ATOM 0 HA VAL A 13 0.593 -2.994 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.845 -2.266 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.588 -1.984 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.382 -0.750 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.906 -2.151 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.453 -4.271 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.772 -4.409 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.154 -4.649 -2.645 1.00 0.00 H new ATOM 189 N ASP A 14 1.945 -3.653 -4.041 1.00 0.00 N ATOM 190 CA ASP A 14 2.806 -4.011 -5.187 1.00 0.00 C ATOM 191 C ASP A 14 2.079 -5.004 -6.076 1.00 0.00 C ATOM 192 O ASP A 14 1.839 -6.130 -5.683 1.00 0.00 O ATOM 193 CB ASP A 14 4.091 -4.662 -4.646 1.00 0.00 C ATOM 194 CG ASP A 14 5.291 -4.167 -5.458 1.00 0.00 C ATOM 195 OD1 ASP A 14 5.438 -4.663 -6.563 1.00 0.00 O ATOM 196 OD2 ASP A 14 5.993 -3.323 -4.927 1.00 0.00 O ATOM 0 H ASP A 14 2.056 -4.232 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 14 3.048 -3.119 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.223 -4.413 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.017 -5.748 -4.710 1.00 0.00 H new ATOM 201 N THR A 15 1.735 -4.572 -7.261 1.00 0.00 N ATOM 202 CA THR A 15 1.022 -5.478 -8.181 1.00 0.00 C ATOM 203 C THR A 15 1.399 -5.204 -9.636 1.00 0.00 C ATOM 204 O THR A 15 0.771 -4.408 -10.304 1.00 0.00 O ATOM 205 CB THR A 15 -0.481 -5.239 -8.005 1.00 0.00 C ATOM 206 OG1 THR A 15 -0.701 -3.911 -8.433 1.00 0.00 O ATOM 207 CG2 THR A 15 -0.860 -5.231 -6.512 1.00 0.00 C ATOM 0 H THR A 15 1.920 -3.636 -7.621 1.00 0.00 H new ATOM 0 HA THR A 15 1.294 -6.508 -7.949 1.00 0.00 H new ATOM 0 HB THR A 15 -1.043 -6.005 -8.540 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.604 -3.861 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.932 -5.060 -6.410 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.602 -6.191 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.315 -4.436 -6.003 1.00 0.00 H new ATOM 215 N ALA A 16 2.425 -5.873 -10.092 1.00 0.00 N ATOM 216 CA ALA A 16 2.874 -5.679 -11.499 1.00 0.00 C ATOM 217 C ALA A 16 3.281 -7.016 -12.110 1.00 0.00 C ATOM 218 O ALA A 16 4.418 -7.430 -11.994 1.00 0.00 O ATOM 219 CB ALA A 16 4.094 -4.742 -11.500 1.00 0.00 C ATOM 0 H ALA A 16 2.970 -6.544 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 16 2.059 -5.252 -12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.435 -4.590 -12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.816 -3.783 -11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.896 -5.189 -10.913 1.00 0.00 H new ATOM 225 N ILE A 17 2.336 -7.669 -12.750 1.00 0.00 N ATOM 226 CA ILE A 17 2.631 -8.975 -13.374 1.00 0.00 C ATOM 227 C ILE A 17 2.078 -9.051 -14.799 1.00 0.00 C ATOM 228 O ILE A 17 2.728 -9.544 -15.700 1.00 0.00 O ATOM 229 CB ILE A 17 1.944 -10.033 -12.534 1.00 0.00 C ATOM 230 CG1 ILE A 17 0.506 -9.627 -12.286 1.00 0.00 C ATOM 231 CG2 ILE A 17 2.661 -10.125 -11.179 1.00 0.00 C ATOM 232 CD1 ILE A 17 -0.125 -10.621 -11.322 1.00 0.00 C ATOM 0 H ILE A 17 1.376 -7.343 -12.860 1.00 0.00 H new ATOM 0 HA ILE A 17 3.710 -9.120 -13.422 1.00 0.00 H new ATOM 0 HB ILE A 17 1.975 -10.991 -13.054 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.464 -8.620 -11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.048 -9.608 -13.225 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.178 -10.883 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.705 -10.397 -11.337 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.610 -9.160 -10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.161 -10.339 -11.135 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.093 -11.620 -11.757 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.427 -10.617 -10.382 1.00 0.00 H new ATOM 244 N TYR A 18 0.887 -8.557 -14.964 1.00 0.00 N ATOM 245 CA TYR A 18 0.245 -8.576 -16.308 1.00 0.00 C ATOM 246 C TYR A 18 0.588 -7.332 -17.124 1.00 0.00 C ATOM 247 O TYR A 18 0.110 -7.182 -18.228 1.00 0.00 O ATOM 248 CB TYR A 18 -1.277 -8.655 -16.139 1.00 0.00 C ATOM 249 CG TYR A 18 -1.654 -9.778 -15.150 1.00 0.00 C ATOM 250 CD1 TYR A 18 -0.913 -10.949 -15.073 1.00 0.00 C ATOM 251 CD2 TYR A 18 -2.753 -9.635 -14.327 1.00 0.00 C ATOM 252 CE1 TYR A 18 -1.269 -11.944 -14.188 1.00 0.00 C ATOM 253 CE2 TYR A 18 -3.105 -10.634 -13.444 1.00 0.00 C ATOM 254 CZ TYR A 18 -2.366 -11.796 -13.369 1.00 0.00 C ATOM 255 OH TYR A 18 -2.718 -12.792 -12.482 1.00 0.00 O ATOM 0 H TYR A 18 0.325 -8.138 -14.223 1.00 0.00 H new ATOM 0 HA TYR A 18 0.623 -9.446 -16.844 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.659 -7.700 -15.777 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.747 -8.840 -17.105 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.052 -11.082 -15.711 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.343 -8.732 -14.375 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.682 -12.849 -14.136 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.967 -10.505 -12.806 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.516 -12.519 -11.983 1.00 0.00 H new ATOM 265 N HIS A 19 1.336 -6.424 -16.524 1.00 0.00 N ATOM 266 CA HIS A 19 1.731 -5.158 -17.241 1.00 0.00 C ATOM 267 C HIS A 19 1.987 -5.376 -18.737 1.00 0.00 C ATOM 268 O HIS A 19 2.117 -4.423 -19.480 1.00 0.00 O ATOM 269 CB HIS A 19 3.024 -4.627 -16.599 1.00 0.00 C ATOM 270 CG HIS A 19 4.180 -5.581 -16.901 1.00 0.00 C ATOM 271 ND1 HIS A 19 4.555 -6.507 -16.154 1.00 0.00 N ATOM 272 CD2 HIS A 19 5.023 -5.629 -17.997 1.00 0.00 C ATOM 273 CE1 HIS A 19 5.539 -7.135 -16.648 1.00 0.00 C ATOM 274 NE2 HIS A 19 5.913 -6.645 -17.831 1.00 0.00 N ATOM 0 H HIS A 19 1.689 -6.505 -15.571 1.00 0.00 H new ATOM 0 HA HIS A 19 0.905 -4.453 -17.149 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.251 -3.633 -16.984 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.893 -4.529 -15.521 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.981 -4.966 -18.848 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.020 -7.973 -16.165 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.666 -6.951 -18.447 1.00 0.00 H new ATOM 282 N HIS A 20 2.064 -6.611 -19.148 1.00 0.00 N ATOM 283 CA HIS A 20 2.307 -6.892 -20.583 1.00 0.00 C ATOM 284 C HIS A 20 1.522 -5.926 -21.485 1.00 0.00 C ATOM 285 O HIS A 20 2.092 -5.013 -22.051 1.00 0.00 O ATOM 286 CB HIS A 20 1.812 -8.322 -20.854 1.00 0.00 C ATOM 287 CG HIS A 20 2.847 -9.322 -20.335 1.00 0.00 C ATOM 288 ND1 HIS A 20 3.508 -9.185 -19.283 1.00 0.00 N ATOM 289 CD2 HIS A 20 3.259 -10.527 -20.871 1.00 0.00 C ATOM 290 CE1 HIS A 20 4.289 -10.164 -19.093 1.00 0.00 C ATOM 291 NE2 HIS A 20 4.202 -11.079 -20.059 1.00 0.00 N ATOM 0 H HIS A 20 1.969 -7.433 -18.552 1.00 0.00 H new ATOM 0 HA HIS A 20 3.368 -6.773 -20.801 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.853 -8.486 -20.363 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.653 -8.468 -21.922 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.891 -10.962 -21.789 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.951 -10.248 -18.244 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.708 -11.959 -20.162 1.00 0.00 H new ATOM 299 N LYS A 21 0.224 -6.141 -21.600 1.00 0.00 N ATOM 300 CA LYS A 21 -0.596 -5.231 -22.462 1.00 0.00 C ATOM 301 C LYS A 21 -1.334 -4.195 -21.611 1.00 0.00 C ATOM 302 O LYS A 21 -0.971 -3.035 -21.574 1.00 0.00 O ATOM 303 CB LYS A 21 -1.638 -6.088 -23.215 1.00 0.00 C ATOM 304 CG LYS A 21 -0.945 -7.316 -23.814 1.00 0.00 C ATOM 305 CD LYS A 21 -0.091 -6.887 -25.009 1.00 0.00 C ATOM 306 CE LYS A 21 -0.997 -6.277 -26.081 1.00 0.00 C ATOM 307 NZ LYS A 21 -0.952 -4.789 -26.018 1.00 0.00 N ATOM 0 H LYS A 21 -0.290 -6.894 -21.142 1.00 0.00 H new ATOM 0 HA LYS A 21 0.061 -4.708 -23.157 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.430 -6.399 -22.534 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.108 -5.500 -24.004 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.321 -7.798 -23.061 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.688 -8.049 -24.129 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.659 -6.162 -24.694 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.446 -7.745 -25.414 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.681 -6.615 -27.068 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.021 -6.622 -25.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.896 -4.423 -25.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.272 -4.493 -25.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.656 -4.411 -26.941 1.00 0.00 H new ATOM 321 N LEU A 22 -2.361 -4.652 -20.944 1.00 0.00 N ATOM 322 CA LEU A 22 -3.166 -3.750 -20.075 1.00 0.00 C ATOM 323 C LEU A 22 -3.811 -4.561 -18.968 1.00 0.00 C ATOM 324 O LEU A 22 -4.316 -4.024 -18.001 1.00 0.00 O ATOM 325 CB LEU A 22 -4.270 -3.085 -20.923 1.00 0.00 C ATOM 326 CG LEU A 22 -5.327 -4.127 -21.309 1.00 0.00 C ATOM 327 CD1 LEU A 22 -6.444 -3.439 -22.095 1.00 0.00 C ATOM 328 CD2 LEU A 22 -4.680 -5.195 -22.185 1.00 0.00 C ATOM 0 H LEU A 22 -2.678 -5.621 -20.966 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.520 -2.987 -19.641 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.734 -2.274 -20.362 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.836 -2.644 -21.820 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.738 -4.588 -20.411 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.199 -4.174 -22.373 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.900 -2.665 -21.477 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.030 -2.986 -22.996 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.427 -5.939 -22.463 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.277 -4.732 -23.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.874 -5.679 -21.633 1.00 0.00 H new ATOM 340 N ARG A 23 -3.771 -5.856 -19.138 1.00 0.00 N ATOM 341 CA ARG A 23 -4.365 -6.743 -18.134 1.00 0.00 C ATOM 342 C ARG A 23 -3.961 -6.301 -16.758 1.00 0.00 C ATOM 343 O ARG A 23 -4.580 -6.661 -15.776 1.00 0.00 O ATOM 344 CB ARG A 23 -3.851 -8.165 -18.389 1.00 0.00 C ATOM 345 CG ARG A 23 -4.788 -8.865 -19.368 1.00 0.00 C ATOM 346 CD ARG A 23 -4.012 -9.949 -20.111 1.00 0.00 C ATOM 347 NE ARG A 23 -4.945 -10.684 -21.005 1.00 0.00 N ATOM 348 CZ ARG A 23 -5.070 -10.310 -22.248 1.00 0.00 C ATOM 349 NH1 ARG A 23 -5.419 -9.079 -22.503 1.00 0.00 N ATOM 350 NH2 ARG A 23 -4.839 -11.178 -23.193 1.00 0.00 N ATOM 0 H ARG A 23 -3.347 -6.326 -19.938 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.452 -6.713 -18.205 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.840 -8.132 -18.794 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.802 -8.721 -17.453 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.630 -9.304 -18.834 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.200 -8.145 -20.075 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.205 -9.503 -20.693 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.551 -10.636 -19.401 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.483 -11.474 -20.649 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.589 -8.428 -21.736 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.522 -8.768 -23.469 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.566 -12.131 -22.954 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.932 -10.904 -24.171 1.00 0.00 H new ATOM 364 N ASP A 24 -2.923 -5.521 -16.702 1.00 0.00 N ATOM 365 CA ASP A 24 -2.466 -5.045 -15.397 1.00 0.00 C ATOM 366 C ASP A 24 -3.384 -3.953 -14.904 1.00 0.00 C ATOM 367 O ASP A 24 -3.829 -3.967 -13.775 1.00 0.00 O ATOM 368 CB ASP A 24 -1.062 -4.465 -15.548 1.00 0.00 C ATOM 369 CG ASP A 24 -0.743 -3.566 -14.346 1.00 0.00 C ATOM 370 OD1 ASP A 24 -1.435 -3.721 -13.353 1.00 0.00 O ATOM 371 OD2 ASP A 24 0.175 -2.775 -14.491 1.00 0.00 O ATOM 0 H ASP A 24 -2.382 -5.200 -17.505 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.465 -5.874 -14.689 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.331 -5.270 -15.617 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.992 -3.891 -16.472 1.00 0.00 H new ATOM 376 N GLN A 25 -3.648 -3.019 -15.769 1.00 0.00 N ATOM 377 CA GLN A 25 -4.532 -1.911 -15.393 1.00 0.00 C ATOM 378 C GLN A 25 -5.846 -2.468 -14.950 1.00 0.00 C ATOM 379 O GLN A 25 -6.622 -1.811 -14.282 1.00 0.00 O ATOM 380 CB GLN A 25 -4.735 -1.032 -16.633 1.00 0.00 C ATOM 381 CG GLN A 25 -3.412 -0.937 -17.387 1.00 0.00 C ATOM 382 CD GLN A 25 -3.218 0.490 -17.910 1.00 0.00 C ATOM 383 OE1 GLN A 25 -4.165 1.191 -18.204 1.00 0.00 O ATOM 384 NE2 GLN A 25 -2.004 0.956 -18.041 1.00 0.00 N ATOM 0 H GLN A 25 -3.284 -2.984 -16.721 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.100 -1.325 -14.582 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.506 -1.457 -17.275 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.075 -0.039 -16.340 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.587 -1.209 -16.729 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.404 -1.643 -18.217 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.204 0.372 -17.796 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.856 1.904 -18.388 1.00 0.00 H new ATOM 393 N VAL A 26 -6.078 -3.684 -15.328 1.00 0.00 N ATOM 394 CA VAL A 26 -7.331 -4.322 -14.946 1.00 0.00 C ATOM 395 C VAL A 26 -7.217 -4.889 -13.545 1.00 0.00 C ATOM 396 O VAL A 26 -8.012 -4.582 -12.686 1.00 0.00 O ATOM 397 CB VAL A 26 -7.628 -5.448 -15.949 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.067 -5.927 -15.765 1.00 0.00 C ATOM 399 CG2 VAL A 26 -7.463 -4.904 -17.369 1.00 0.00 C ATOM 0 H VAL A 26 -5.445 -4.257 -15.887 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.141 -3.592 -14.956 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.941 -6.278 -15.783 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.278 -6.726 -16.476 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.199 -6.301 -14.750 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.752 -5.097 -15.938 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.672 -5.696 -18.088 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.158 -4.079 -17.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.442 -4.549 -17.506 1.00 0.00 H new ATOM 409 N LEU A 27 -6.222 -5.699 -13.329 1.00 0.00 N ATOM 410 CA LEU A 27 -6.055 -6.280 -11.991 1.00 0.00 C ATOM 411 C LEU A 27 -5.805 -5.160 -11.007 1.00 0.00 C ATOM 412 O LEU A 27 -5.988 -5.310 -9.813 1.00 0.00 O ATOM 413 CB LEU A 27 -4.837 -7.282 -12.049 1.00 0.00 C ATOM 414 CG LEU A 27 -3.589 -6.770 -11.242 1.00 0.00 C ATOM 415 CD1 LEU A 27 -3.246 -7.793 -10.155 1.00 0.00 C ATOM 416 CD2 LEU A 27 -2.378 -6.623 -12.169 1.00 0.00 C ATOM 0 H LEU A 27 -5.527 -5.977 -14.022 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.945 -6.822 -11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.148 -8.249 -11.653 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.552 -7.440 -13.089 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.827 -5.802 -10.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.381 -7.447 -9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.096 -7.909 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.016 -8.753 -10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.522 -6.268 -11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.141 -7.589 -12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.609 -5.907 -12.958 1.00 0.00 H new ATOM 428 N LYS A 28 -5.404 -4.037 -11.540 1.00 0.00 N ATOM 429 CA LYS A 28 -5.129 -2.879 -10.672 1.00 0.00 C ATOM 430 C LYS A 28 -6.388 -2.077 -10.461 1.00 0.00 C ATOM 431 O LYS A 28 -6.677 -1.641 -9.365 1.00 0.00 O ATOM 432 CB LYS A 28 -4.083 -1.991 -11.361 1.00 0.00 C ATOM 433 CG LYS A 28 -3.810 -0.766 -10.487 1.00 0.00 C ATOM 434 CD LYS A 28 -4.582 0.433 -11.043 1.00 0.00 C ATOM 435 CE LYS A 28 -4.269 1.667 -10.193 1.00 0.00 C ATOM 436 NZ LYS A 28 -3.297 2.552 -10.894 1.00 0.00 N ATOM 0 H LYS A 28 -5.258 -3.881 -12.537 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.763 -3.228 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.162 -2.551 -11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.442 -1.680 -12.342 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.113 -0.963 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.742 -0.549 -10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.303 0.611 -12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.653 0.229 -11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.188 2.217 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.860 1.359 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.096 3.384 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.415 2.030 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.701 2.861 -11.801 1.00 0.00 H new ATOM 450 N ALA A 29 -7.121 -1.895 -11.515 1.00 0.00 N ATOM 451 CA ALA A 29 -8.368 -1.124 -11.394 1.00 0.00 C ATOM 452 C ALA A 29 -9.377 -1.896 -10.560 1.00 0.00 C ATOM 453 O ALA A 29 -10.216 -1.317 -9.906 1.00 0.00 O ATOM 454 CB ALA A 29 -8.945 -0.907 -12.802 1.00 0.00 C ATOM 0 H ALA A 29 -6.908 -2.247 -12.449 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.162 -0.168 -10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.871 -0.336 -12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.226 -0.358 -13.409 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.148 -1.873 -13.265 1.00 0.00 H new ATOM 460 N LEU A 30 -9.258 -3.195 -10.577 1.00 0.00 N ATOM 461 CA LEU A 30 -10.201 -4.018 -9.795 1.00 0.00 C ATOM 462 C LEU A 30 -9.837 -4.016 -8.329 1.00 0.00 C ATOM 463 O LEU A 30 -10.673 -3.797 -7.471 1.00 0.00 O ATOM 464 CB LEU A 30 -10.118 -5.467 -10.306 1.00 0.00 C ATOM 465 CG LEU A 30 -10.643 -5.533 -11.736 1.00 0.00 C ATOM 466 CD1 LEU A 30 -10.117 -6.805 -12.403 1.00 0.00 C ATOM 467 CD2 LEU A 30 -12.166 -5.573 -11.709 1.00 0.00 C ATOM 0 H LEU A 30 -8.550 -3.713 -11.098 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.204 -3.607 -9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.087 -5.818 -10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.702 -6.125 -9.662 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.309 -4.658 -12.294 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.488 -6.859 -13.426 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.027 -6.787 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.460 -7.677 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.547 -5.620 -12.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.497 -6.453 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.545 -4.675 -11.221 1.00 0.00 H new ATOM 479 N TYR A 31 -8.592 -4.232 -8.059 1.00 0.00 N ATOM 480 CA TYR A 31 -8.166 -4.252 -6.656 1.00 0.00 C ATOM 481 C TYR A 31 -8.082 -2.869 -6.014 1.00 0.00 C ATOM 482 O TYR A 31 -8.456 -2.704 -4.879 1.00 0.00 O ATOM 483 CB TYR A 31 -6.787 -4.906 -6.581 1.00 0.00 C ATOM 484 CG TYR A 31 -6.234 -4.705 -5.180 1.00 0.00 C ATOM 485 CD1 TYR A 31 -5.534 -3.563 -4.871 1.00 0.00 C ATOM 486 CD2 TYR A 31 -6.448 -5.648 -4.196 1.00 0.00 C ATOM 487 CE1 TYR A 31 -5.053 -3.358 -3.602 1.00 0.00 C ATOM 488 CE2 TYR A 31 -5.969 -5.445 -2.924 1.00 0.00 C ATOM 489 CZ TYR A 31 -5.266 -4.298 -2.614 1.00 0.00 C ATOM 490 OH TYR A 31 -4.783 -4.096 -1.336 1.00 0.00 O ATOM 0 H TYR A 31 -7.857 -4.394 -8.748 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.922 -4.809 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.859 -5.969 -6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.118 -4.465 -7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.361 -2.819 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.995 -6.550 -4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.505 -2.456 -3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.144 -6.189 -2.161 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.026 -4.858 -0.770 1.00 0.00 H new ATOM 500 N ASP A 32 -7.608 -1.910 -6.730 1.00 0.00 N ATOM 501 CA ASP A 32 -7.508 -0.551 -6.127 1.00 0.00 C ATOM 502 C ASP A 32 -8.824 0.238 -6.123 1.00 0.00 C ATOM 503 O ASP A 32 -8.968 1.155 -5.337 1.00 0.00 O ATOM 504 CB ASP A 32 -6.458 0.242 -6.914 1.00 0.00 C ATOM 505 CG ASP A 32 -6.008 1.445 -6.084 1.00 0.00 C ATOM 506 OD1 ASP A 32 -5.450 1.196 -5.028 1.00 0.00 O ATOM 507 OD2 ASP A 32 -6.249 2.545 -6.552 1.00 0.00 O ATOM 0 H ASP A 32 -7.286 -1.994 -7.694 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.234 -0.687 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.604 -0.394 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.875 0.576 -7.864 1.00 0.00 H new ATOM 512 N VAL A 33 -9.761 -0.104 -6.967 1.00 0.00 N ATOM 513 CA VAL A 33 -11.033 0.675 -6.950 1.00 0.00 C ATOM 514 C VAL A 33 -12.012 0.122 -5.928 1.00 0.00 C ATOM 515 O VAL A 33 -12.687 0.871 -5.249 1.00 0.00 O ATOM 516 CB VAL A 33 -11.683 0.609 -8.336 1.00 0.00 C ATOM 517 CG1 VAL A 33 -12.966 1.444 -8.326 1.00 0.00 C ATOM 518 CG2 VAL A 33 -10.719 1.191 -9.372 1.00 0.00 C ATOM 0 H VAL A 33 -9.706 -0.863 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.794 1.704 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.914 -0.426 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.435 1.402 -9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.653 1.046 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.725 2.479 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.177 1.146 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.498 2.228 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.795 0.613 -9.374 1.00 0.00 H new ATOM 528 N LEU A 34 -12.078 -1.176 -5.825 1.00 0.00 N ATOM 529 CA LEU A 34 -13.020 -1.764 -4.840 1.00 0.00 C ATOM 530 C LEU A 34 -12.408 -1.861 -3.448 1.00 0.00 C ATOM 531 O LEU A 34 -13.118 -1.840 -2.462 1.00 0.00 O ATOM 532 CB LEU A 34 -13.390 -3.174 -5.300 1.00 0.00 C ATOM 533 CG LEU A 34 -13.561 -3.178 -6.816 1.00 0.00 C ATOM 534 CD1 LEU A 34 -13.700 -4.623 -7.310 1.00 0.00 C ATOM 535 CD2 LEU A 34 -14.817 -2.383 -7.169 1.00 0.00 C ATOM 0 H LEU A 34 -11.531 -1.842 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.894 -1.115 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.613 -3.880 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -14.312 -3.497 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.693 -2.723 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.822 -4.627 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.806 -5.186 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.571 -5.084 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.952 -2.377 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.684 -2.845 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.712 -1.359 -6.811 1.00 0.00 H new ATOM 547 N ALA A 35 -11.109 -1.970 -3.376 1.00 0.00 N ATOM 548 CA ALA A 35 -10.483 -2.068 -2.037 1.00 0.00 C ATOM 549 C ALA A 35 -10.425 -0.710 -1.352 1.00 0.00 C ATOM 550 O ALA A 35 -11.007 -0.513 -0.303 1.00 0.00 O ATOM 551 CB ALA A 35 -9.058 -2.600 -2.199 1.00 0.00 C ATOM 0 H ALA A 35 -10.470 -1.995 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.084 -2.738 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.585 -2.677 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.088 -3.584 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.484 -1.918 -2.826 1.00 0.00 H new ATOM 557 N LYS A 36 -9.722 0.202 -1.957 1.00 0.00 N ATOM 558 CA LYS A 36 -9.609 1.556 -1.361 1.00 0.00 C ATOM 559 C LYS A 36 -10.969 2.071 -0.899 1.00 0.00 C ATOM 560 O LYS A 36 -11.073 2.729 0.117 1.00 0.00 O ATOM 561 CB LYS A 36 -9.056 2.509 -2.429 1.00 0.00 C ATOM 562 CG LYS A 36 -8.660 3.830 -1.767 1.00 0.00 C ATOM 563 CD LYS A 36 -8.687 4.942 -2.818 1.00 0.00 C ATOM 564 CE LYS A 36 -10.123 5.124 -3.317 1.00 0.00 C ATOM 565 NZ LYS A 36 -10.481 6.569 -3.354 1.00 0.00 N ATOM 0 H LYS A 36 -9.222 0.068 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.948 1.506 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.192 2.062 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.806 2.685 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.347 4.064 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.665 3.749 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.317 5.873 -2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.029 4.690 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.226 4.692 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.812 4.589 -2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.458 6.676 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.402 6.971 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.834 7.071 -3.995 1.00 0.00 H new ATOM 579 N GLU A 37 -11.987 1.762 -1.651 1.00 0.00 N ATOM 580 CA GLU A 37 -13.342 2.227 -1.264 1.00 0.00 C ATOM 581 C GLU A 37 -13.808 1.526 0.001 1.00 0.00 C ATOM 582 O GLU A 37 -13.900 2.128 1.052 1.00 0.00 O ATOM 583 CB GLU A 37 -14.319 1.887 -2.402 1.00 0.00 C ATOM 584 CG GLU A 37 -15.646 2.616 -2.164 1.00 0.00 C ATOM 585 CD GLU A 37 -16.397 2.739 -3.493 1.00 0.00 C ATOM 586 OE1 GLU A 37 -16.089 1.942 -4.363 1.00 0.00 O ATOM 587 OE2 GLU A 37 -17.234 3.624 -3.563 1.00 0.00 O ATOM 0 H GLU A 37 -11.939 1.212 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.311 3.301 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.895 2.183 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.485 0.811 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.250 2.070 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.462 3.605 -1.744 1.00 0.00 H new ATOM 594 N SER A 38 -14.088 0.260 -0.126 1.00 0.00 N ATOM 595 CA SER A 38 -14.550 -0.514 1.051 1.00 0.00 C ATOM 596 C SER A 38 -13.413 -1.294 1.676 1.00 0.00 C ATOM 597 O SER A 38 -12.981 -2.302 1.151 1.00 0.00 O ATOM 598 CB SER A 38 -15.629 -1.506 0.582 1.00 0.00 C ATOM 599 OG SER A 38 -16.791 -0.707 0.426 1.00 0.00 O ATOM 0 H SER A 38 -14.016 -0.269 -0.995 1.00 0.00 H new ATOM 0 HA SER A 38 -14.943 0.178 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.348 -1.987 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.786 -2.299 1.313 1.00 0.00 H new ATOM 0 HG SER A 38 -17.536 -1.268 0.124 1.00 0.00 H new ATOM 605 N GLU A 39 -12.946 -0.812 2.791 1.00 0.00 N ATOM 606 CA GLU A 39 -11.841 -1.508 3.470 1.00 0.00 C ATOM 607 C GLU A 39 -12.400 -2.551 4.425 1.00 0.00 C ATOM 608 O GLU A 39 -11.876 -3.641 4.528 1.00 0.00 O ATOM 609 CB GLU A 39 -11.027 -0.483 4.278 1.00 0.00 C ATOM 610 CG GLU A 39 -10.510 0.608 3.340 1.00 0.00 C ATOM 611 CD GLU A 39 -9.265 1.252 3.957 1.00 0.00 C ATOM 612 OE1 GLU A 39 -8.197 0.716 3.706 1.00 0.00 O ATOM 613 OE2 GLU A 39 -9.451 2.242 4.646 1.00 0.00 O ATOM 0 H GLU A 39 -13.285 0.031 3.254 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.209 -1.995 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.648 -0.043 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.192 -0.976 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.270 0.183 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.281 1.361 3.178 1.00 0.00 H new ATOM 620 N HIS A 40 -13.468 -2.193 5.110 1.00 0.00 N ATOM 621 CA HIS A 40 -14.081 -3.160 6.071 1.00 0.00 C ATOM 622 C HIS A 40 -15.261 -3.920 5.442 1.00 0.00 C ATOM 623 O HIS A 40 -15.552 -5.037 5.828 1.00 0.00 O ATOM 624 CB HIS A 40 -14.574 -2.408 7.335 1.00 0.00 C ATOM 625 CG HIS A 40 -13.408 -1.635 7.953 1.00 0.00 C ATOM 626 ND1 HIS A 40 -12.655 -2.076 8.845 1.00 0.00 N ATOM 627 CD2 HIS A 40 -12.955 -0.356 7.686 1.00 0.00 C ATOM 628 CE1 HIS A 40 -11.775 -1.225 9.175 1.00 0.00 C ATOM 629 NE2 HIS A 40 -11.886 -0.089 8.486 1.00 0.00 N ATOM 0 H HIS A 40 -13.931 -1.287 5.043 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.313 -3.885 6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -15.380 -1.723 7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.979 -3.116 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.380 0.321 6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.021 -1.400 9.928 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.319 0.757 8.543 1.00 0.00 H new ATOM 637 N PRO A 41 -15.951 -3.276 4.498 1.00 0.00 N ATOM 638 CA PRO A 41 -17.099 -3.893 3.819 1.00 0.00 C ATOM 639 C PRO A 41 -16.796 -4.484 2.384 1.00 0.00 C ATOM 640 O PRO A 41 -17.707 -4.608 1.587 1.00 0.00 O ATOM 641 CB PRO A 41 -18.047 -2.691 3.624 1.00 0.00 C ATOM 642 CG PRO A 41 -17.146 -1.410 3.657 1.00 0.00 C ATOM 643 CD PRO A 41 -15.768 -1.854 4.190 1.00 0.00 C ATOM 0 HA PRO A 41 -17.466 -4.737 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.581 -2.767 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -18.799 -2.657 4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.055 -0.975 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.582 -0.646 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.985 -1.704 3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.480 -1.287 5.075 1.00 0.00 H new ATOM 651 N PRO A 42 -15.551 -4.854 2.065 1.00 0.00 N ATOM 652 CA PRO A 42 -15.270 -5.399 0.738 1.00 0.00 C ATOM 653 C PRO A 42 -16.041 -6.685 0.481 1.00 0.00 C ATOM 654 O PRO A 42 -16.130 -7.545 1.335 1.00 0.00 O ATOM 655 CB PRO A 42 -13.764 -5.698 0.728 1.00 0.00 C ATOM 656 CG PRO A 42 -13.203 -5.289 2.119 1.00 0.00 C ATOM 657 CD PRO A 42 -14.390 -4.788 2.962 1.00 0.00 C ATOM 0 HA PRO A 42 -15.568 -4.693 -0.037 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.583 -6.756 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.267 -5.141 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.719 -6.137 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.449 -4.509 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.538 -5.411 3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.222 -3.770 3.315 1.00 0.00 H new ATOM 665 N GLN A 43 -16.584 -6.791 -0.694 1.00 0.00 N ATOM 666 CA GLN A 43 -17.355 -8.006 -1.040 1.00 0.00 C ATOM 667 C GLN A 43 -16.414 -9.160 -1.358 1.00 0.00 C ATOM 668 O GLN A 43 -16.853 -10.273 -1.515 1.00 0.00 O ATOM 669 CB GLN A 43 -18.186 -7.700 -2.292 1.00 0.00 C ATOM 670 CG GLN A 43 -17.336 -6.869 -3.257 1.00 0.00 C ATOM 671 CD GLN A 43 -18.035 -6.796 -4.616 1.00 0.00 C ATOM 672 OE1 GLN A 43 -19.028 -6.113 -4.781 1.00 0.00 O ATOM 673 NE2 GLN A 43 -17.552 -7.483 -5.614 1.00 0.00 N ATOM 0 H GLN A 43 -16.526 -6.087 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 43 -17.990 -8.285 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -18.503 -8.627 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -19.091 -7.156 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -17.188 -5.866 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -16.348 -7.317 -3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.720 -8.058 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.007 -7.446 -6.526 1.00 0.00 H new ATOM 682 N SER A 44 -15.127 -8.823 -1.446 1.00 0.00 N ATOM 683 CA SER A 44 -14.025 -9.826 -1.758 1.00 0.00 C ATOM 684 C SER A 44 -13.363 -9.416 -3.034 1.00 0.00 C ATOM 685 O SER A 44 -13.398 -10.117 -4.024 1.00 0.00 O ATOM 686 CB SER A 44 -14.571 -11.258 -1.924 1.00 0.00 C ATOM 687 OG SER A 44 -13.411 -12.034 -2.161 1.00 0.00 O ATOM 0 H SER A 44 -14.789 -7.870 -1.311 1.00 0.00 H new ATOM 0 HA SER A 44 -13.324 -9.831 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.100 -11.591 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.274 -11.325 -2.754 1.00 0.00 H new ATOM 0 HG SER A 44 -13.234 -12.604 -1.384 1.00 0.00 H new ATOM 693 N ILE A 45 -12.764 -8.273 -2.983 1.00 0.00 N ATOM 694 CA ILE A 45 -12.077 -7.752 -4.165 1.00 0.00 C ATOM 695 C ILE A 45 -11.035 -8.703 -4.686 1.00 0.00 C ATOM 696 O ILE A 45 -11.022 -9.038 -5.847 1.00 0.00 O ATOM 697 CB ILE A 45 -11.351 -6.482 -3.778 1.00 0.00 C ATOM 698 CG1 ILE A 45 -12.228 -5.569 -2.920 1.00 0.00 C ATOM 699 CG2 ILE A 45 -10.984 -5.769 -5.063 1.00 0.00 C ATOM 700 CD1 ILE A 45 -13.682 -5.642 -3.384 1.00 0.00 C ATOM 0 H ILE A 45 -12.724 -7.674 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.832 -7.592 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.469 -6.730 -3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.158 -5.865 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.869 -4.542 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.457 -4.844 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.340 -6.411 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.890 -5.538 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.295 -4.987 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.748 -5.324 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -14.041 -6.667 -3.295 1.00 0.00 H new ATOM 712 N LEU A 46 -10.174 -9.124 -3.828 1.00 0.00 N ATOM 713 CA LEU A 46 -9.126 -10.051 -4.280 1.00 0.00 C ATOM 714 C LEU A 46 -9.739 -11.278 -4.934 1.00 0.00 C ATOM 715 O LEU A 46 -9.485 -11.558 -6.082 1.00 0.00 O ATOM 716 CB LEU A 46 -8.290 -10.468 -3.053 1.00 0.00 C ATOM 717 CG LEU A 46 -7.055 -11.302 -3.476 1.00 0.00 C ATOM 718 CD1 LEU A 46 -6.535 -10.871 -4.856 1.00 0.00 C ATOM 719 CD2 LEU A 46 -5.946 -11.074 -2.455 1.00 0.00 C ATOM 0 H LEU A 46 -10.148 -8.870 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.495 -9.559 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.965 -9.579 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.908 -11.049 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.346 -12.351 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.668 -11.476 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.319 -11.011 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.248 -9.820 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.067 -11.654 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.689 -10.015 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.288 -11.390 -1.469 1.00 0.00 H new ATOM 731 N HIS A 47 -10.553 -11.968 -4.203 1.00 0.00 N ATOM 732 CA HIS A 47 -11.189 -13.179 -4.770 1.00 0.00 C ATOM 733 C HIS A 47 -12.044 -12.842 -5.986 1.00 0.00 C ATOM 734 O HIS A 47 -12.218 -13.661 -6.866 1.00 0.00 O ATOM 735 CB HIS A 47 -12.077 -13.806 -3.681 1.00 0.00 C ATOM 736 CG HIS A 47 -11.957 -15.332 -3.740 1.00 0.00 C ATOM 737 ND1 HIS A 47 -12.886 -16.111 -4.039 1.00 0.00 N ATOM 738 CD2 HIS A 47 -10.864 -16.142 -3.490 1.00 0.00 C ATOM 739 CE1 HIS A 47 -12.507 -17.321 -4.006 1.00 0.00 C ATOM 740 NE2 HIS A 47 -11.225 -17.444 -3.665 1.00 0.00 N ATOM 0 H HIS A 47 -10.807 -11.749 -3.240 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.411 -13.872 -5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.775 -13.445 -2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.115 -13.506 -3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.882 -15.797 -3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.152 -18.158 -4.229 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.663 -18.289 -3.562 1.00 0.00 H new ATOM 748 N THR A 48 -12.561 -11.651 -6.020 1.00 0.00 N ATOM 749 CA THR A 48 -13.400 -11.265 -7.177 1.00 0.00 C ATOM 750 C THR A 48 -12.523 -10.937 -8.366 1.00 0.00 C ATOM 751 O THR A 48 -12.536 -11.635 -9.362 1.00 0.00 O ATOM 752 CB THR A 48 -14.212 -10.027 -6.798 1.00 0.00 C ATOM 753 OG1 THR A 48 -15.183 -10.482 -5.880 1.00 0.00 O ATOM 754 CG2 THR A 48 -15.023 -9.518 -7.998 1.00 0.00 C ATOM 0 H THR A 48 -12.440 -10.935 -5.304 1.00 0.00 H new ATOM 0 HA THR A 48 -14.062 -12.090 -7.440 1.00 0.00 H new ATOM 0 HB THR A 48 -13.545 -9.248 -6.429 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.771 -10.597 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.593 -8.636 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.345 -9.258 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.707 -10.298 -8.332 1.00 0.00 H new ATOM 762 N ALA A 49 -11.778 -9.875 -8.252 1.00 0.00 N ATOM 763 CA ALA A 49 -10.898 -9.496 -9.368 1.00 0.00 C ATOM 764 C ALA A 49 -10.147 -10.725 -9.875 1.00 0.00 C ATOM 765 O ALA A 49 -9.800 -10.803 -11.036 1.00 0.00 O ATOM 766 CB ALA A 49 -9.886 -8.447 -8.866 1.00 0.00 C ATOM 0 H ALA A 49 -11.746 -9.262 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.493 -9.083 -10.182 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.227 -8.157 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.421 -7.570 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.293 -8.872 -8.056 1.00 0.00 H new ATOM 772 N LYS A 50 -9.904 -11.673 -8.986 1.00 0.00 N ATOM 773 CA LYS A 50 -9.179 -12.897 -9.420 1.00 0.00 C ATOM 774 C LYS A 50 -9.819 -13.498 -10.653 1.00 0.00 C ATOM 775 O LYS A 50 -9.144 -13.878 -11.588 1.00 0.00 O ATOM 776 CB LYS A 50 -9.268 -13.952 -8.304 1.00 0.00 C ATOM 777 CG LYS A 50 -7.915 -14.652 -8.165 1.00 0.00 C ATOM 778 CD LYS A 50 -7.985 -15.663 -7.015 1.00 0.00 C ATOM 779 CE LYS A 50 -9.051 -16.719 -7.329 1.00 0.00 C ATOM 780 NZ LYS A 50 -8.997 -17.107 -8.767 1.00 0.00 N ATOM 0 H LYS A 50 -10.174 -11.644 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.147 -12.620 -9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.545 -13.479 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.045 -14.680 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.657 -15.159 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.131 -13.919 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.015 -16.140 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.226 -15.153 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.895 -17.598 -6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.040 -16.328 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.402 -18.058 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.544 -16.425 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.008 -17.109 -9.089 1.00 0.00 H new ATOM 794 N ALA A 51 -11.119 -13.578 -10.633 1.00 0.00 N ATOM 795 CA ALA A 51 -11.817 -14.156 -11.794 1.00 0.00 C ATOM 796 C ALA A 51 -12.130 -13.107 -12.861 1.00 0.00 C ATOM 797 O ALA A 51 -11.789 -13.274 -14.015 1.00 0.00 O ATOM 798 CB ALA A 51 -13.135 -14.769 -11.303 1.00 0.00 C ATOM 0 H ALA A 51 -11.717 -13.269 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.167 -14.905 -12.246 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.671 -15.204 -12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.924 -15.546 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.749 -13.993 -10.845 1.00 0.00 H new ATOM 804 N ILE A 52 -12.775 -12.048 -12.461 1.00 0.00 N ATOM 805 CA ILE A 52 -13.117 -10.987 -13.444 1.00 0.00 C ATOM 806 C ILE A 52 -11.916 -10.611 -14.305 1.00 0.00 C ATOM 807 O ILE A 52 -11.978 -10.670 -15.512 1.00 0.00 O ATOM 808 CB ILE A 52 -13.581 -9.750 -12.677 1.00 0.00 C ATOM 809 CG1 ILE A 52 -15.031 -9.929 -12.249 1.00 0.00 C ATOM 810 CG2 ILE A 52 -13.490 -8.527 -13.612 1.00 0.00 C ATOM 811 CD1 ILE A 52 -15.182 -11.279 -11.543 1.00 0.00 C ATOM 0 H ILE A 52 -13.078 -11.873 -11.503 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.901 -11.363 -14.101 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.954 -9.607 -11.797 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.329 -9.120 -11.582 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.688 -9.883 -13.118 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.818 -7.635 -13.078 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.459 -8.395 -13.939 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.129 -8.685 -14.481 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.218 -11.414 -11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.900 -12.080 -12.226 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.535 -11.305 -10.666 1.00 0.00 H new ATOM 823 N GLU A 53 -10.847 -10.230 -13.671 1.00 0.00 N ATOM 824 CA GLU A 53 -9.642 -9.848 -14.449 1.00 0.00 C ATOM 825 C GLU A 53 -9.266 -10.925 -15.467 1.00 0.00 C ATOM 826 O GLU A 53 -8.686 -10.631 -16.494 1.00 0.00 O ATOM 827 CB GLU A 53 -8.473 -9.668 -13.466 1.00 0.00 C ATOM 828 CG GLU A 53 -7.830 -11.031 -13.191 1.00 0.00 C ATOM 829 CD GLU A 53 -6.805 -11.335 -14.288 1.00 0.00 C ATOM 830 OE1 GLU A 53 -6.110 -10.402 -14.652 1.00 0.00 O ATOM 831 OE2 GLU A 53 -6.778 -12.484 -14.699 1.00 0.00 O ATOM 0 H GLU A 53 -10.755 -10.167 -12.657 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.854 -8.927 -14.992 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.735 -8.982 -13.882 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.830 -9.227 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.345 -11.027 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.594 -11.808 -13.165 1.00 0.00 H new ATOM 838 N SER A 54 -9.607 -12.148 -15.168 1.00 0.00 N ATOM 839 CA SER A 54 -9.273 -13.249 -16.110 1.00 0.00 C ATOM 840 C SER A 54 -10.437 -13.551 -17.051 1.00 0.00 C ATOM 841 O SER A 54 -10.269 -14.226 -18.048 1.00 0.00 O ATOM 842 CB SER A 54 -8.969 -14.506 -15.283 1.00 0.00 C ATOM 843 OG SER A 54 -8.758 -15.519 -16.255 1.00 0.00 O ATOM 0 H SER A 54 -10.098 -12.430 -14.320 1.00 0.00 H new ATOM 0 HA SER A 54 -8.416 -12.949 -16.714 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.089 -14.367 -14.655 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.797 -14.756 -14.620 1.00 0.00 H new ATOM 0 HG SER A 54 -9.084 -15.210 -17.126 1.00 0.00 H new ATOM 849 N GLU A 55 -11.597 -13.048 -16.718 1.00 0.00 N ATOM 850 CA GLU A 55 -12.781 -13.301 -17.585 1.00 0.00 C ATOM 851 C GLU A 55 -13.022 -12.161 -18.561 1.00 0.00 C ATOM 852 O GLU A 55 -13.222 -12.382 -19.738 1.00 0.00 O ATOM 853 CB GLU A 55 -14.014 -13.448 -16.681 1.00 0.00 C ATOM 854 CG GLU A 55 -15.277 -13.399 -17.543 1.00 0.00 C ATOM 855 CD GLU A 55 -16.404 -14.148 -16.829 1.00 0.00 C ATOM 856 OE1 GLU A 55 -16.260 -15.354 -16.707 1.00 0.00 O ATOM 857 OE2 GLU A 55 -17.346 -13.474 -16.447 1.00 0.00 O ATOM 0 H GLU A 55 -11.773 -12.478 -15.891 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.599 -14.206 -18.165 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.969 -14.390 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.034 -12.649 -15.940 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.569 -12.364 -17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.085 -13.850 -18.517 1.00 0.00 H new ATOM 864 N MET A 56 -13.011 -10.966 -18.062 1.00 0.00 N ATOM 865 CA MET A 56 -13.239 -9.815 -18.949 1.00 0.00 C ATOM 866 C MET A 56 -12.264 -9.839 -20.124 1.00 0.00 C ATOM 867 O MET A 56 -12.525 -9.257 -21.160 1.00 0.00 O ATOM 868 CB MET A 56 -13.009 -8.539 -18.131 1.00 0.00 C ATOM 869 CG MET A 56 -13.561 -7.331 -18.895 1.00 0.00 C ATOM 870 SD MET A 56 -12.368 -6.127 -19.521 1.00 0.00 S ATOM 871 CE MET A 56 -11.342 -6.056 -18.038 1.00 0.00 C ATOM 0 H MET A 56 -12.854 -10.740 -17.080 1.00 0.00 H new ATOM 0 HA MET A 56 -14.254 -9.852 -19.344 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.499 -8.624 -17.161 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.944 -8.405 -17.939 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.139 -7.703 -19.741 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.256 -6.807 -18.239 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.865 -5.078 -17.972 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.964 -6.217 -17.157 1.00 0.00 H new ATOM 0 HE3 MET A 56 -10.576 -6.830 -18.088 1.00 0.00 H new ATOM 881 N ASN A 57 -11.156 -10.514 -19.938 1.00 0.00 N ATOM 882 CA ASN A 57 -10.147 -10.587 -21.037 1.00 0.00 C ATOM 883 C ASN A 57 -10.295 -11.874 -21.847 1.00 0.00 C ATOM 884 O ASN A 57 -9.676 -12.032 -22.879 1.00 0.00 O ATOM 885 CB ASN A 57 -8.740 -10.549 -20.414 1.00 0.00 C ATOM 886 CG ASN A 57 -8.317 -11.965 -20.018 1.00 0.00 C ATOM 887 OD1 ASN A 57 -8.717 -12.479 -18.995 1.00 0.00 O ATOM 888 ND2 ASN A 57 -7.508 -12.627 -20.799 1.00 0.00 N ATOM 0 H ASN A 57 -10.909 -11.012 -19.083 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.303 -9.742 -21.708 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.027 -10.131 -21.125 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.736 -9.899 -19.539 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.216 -13.571 -20.548 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.168 -12.200 -21.661 1.00 0.00 H new ATOM 895 N LYS A 58 -11.108 -12.774 -21.357 1.00 0.00 N ATOM 896 CA LYS A 58 -11.314 -14.061 -22.081 1.00 0.00 C ATOM 897 C LYS A 58 -11.384 -13.845 -23.592 1.00 0.00 C ATOM 898 O LYS A 58 -10.593 -14.392 -24.336 1.00 0.00 O ATOM 899 CB LYS A 58 -12.643 -14.671 -21.608 1.00 0.00 C ATOM 900 CG LYS A 58 -12.677 -16.152 -21.984 1.00 0.00 C ATOM 901 CD LYS A 58 -14.045 -16.727 -21.619 1.00 0.00 C ATOM 902 CE LYS A 58 -14.914 -16.792 -22.876 1.00 0.00 C ATOM 903 NZ LYS A 58 -16.318 -17.141 -22.521 1.00 0.00 N ATOM 0 H LYS A 58 -11.636 -12.673 -20.490 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.474 -14.722 -21.868 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.747 -14.555 -20.529 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.481 -14.147 -22.067 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.490 -16.274 -23.051 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.889 -16.692 -21.459 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.932 -17.722 -21.189 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.524 -16.105 -20.863 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.891 -15.832 -23.392 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.512 -17.534 -23.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.895 -17.181 -23.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.337 -18.068 -22.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.704 -16.418 -21.880 1.00 0.00 H new ATOM 917 N VAL A 59 -12.329 -13.056 -24.016 1.00 0.00 N ATOM 918 CA VAL A 59 -12.464 -12.795 -25.470 1.00 0.00 C ATOM 919 C VAL A 59 -13.072 -11.426 -25.710 1.00 0.00 C ATOM 920 O VAL A 59 -14.246 -11.220 -25.471 1.00 0.00 O ATOM 921 CB VAL A 59 -13.384 -13.853 -26.069 1.00 0.00 C ATOM 922 CG1 VAL A 59 -13.792 -13.428 -27.483 1.00 0.00 C ATOM 923 CG2 VAL A 59 -12.642 -15.189 -26.136 1.00 0.00 C ATOM 0 H VAL A 59 -13.009 -12.584 -23.421 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.478 -12.830 -25.933 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.273 -13.959 -25.448 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.450 -14.183 -27.914 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.315 -12.473 -27.439 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.902 -13.326 -28.103 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -13.297 -15.948 -26.564 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.755 -15.082 -26.760 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.345 -15.491 -25.132 1.00 0.00 H new ATOM 933 N ASN A 60 -12.267 -10.508 -26.179 1.00 0.00 N ATOM 934 CA ASN A 60 -12.794 -9.146 -26.437 1.00 0.00 C ATOM 935 C ASN A 60 -12.146 -8.520 -27.666 1.00 0.00 C ATOM 936 O ASN A 60 -11.765 -9.205 -28.596 1.00 0.00 O ATOM 937 CB ASN A 60 -12.476 -8.268 -25.216 1.00 0.00 C ATOM 938 CG ASN A 60 -13.046 -8.922 -23.953 1.00 0.00 C ATOM 939 OD1 ASN A 60 -12.642 -10.119 -23.621 1.00 0.00 O flip ATOM 940 ND2 ASN A 60 -13.861 -8.350 -23.259 1.00 0.00 N flip ATOM 0 H ASN A 60 -11.279 -10.645 -26.391 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.867 -9.215 -26.613 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.398 -8.141 -25.117 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.904 -7.274 -25.348 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.180 -7.415 -23.513 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.226 -8.804 -22.422 1.00 0.00 H new ATOM 947 N ASN A 61 -12.036 -7.220 -27.640 1.00 0.00 N ATOM 948 CA ASN A 61 -11.424 -6.503 -28.785 1.00 0.00 C ATOM 949 C ASN A 61 -9.939 -6.235 -28.558 1.00 0.00 C ATOM 950 O ASN A 61 -9.266 -5.762 -29.433 1.00 0.00 O ATOM 951 CB ASN A 61 -12.146 -5.157 -28.952 1.00 0.00 C ATOM 952 CG ASN A 61 -13.657 -5.391 -28.918 1.00 0.00 C ATOM 953 OD1 ASN A 61 -14.104 -6.605 -28.761 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 -14.442 -4.471 -29.034 1.00 0.00 N flip ATOM 0 H ASN A 61 -12.346 -6.625 -26.871 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.523 -7.125 -29.674 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.854 -4.472 -28.156 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.859 -4.691 -29.895 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.097 -3.519 -29.157 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.446 -4.651 -29.008 1.00 0.00 H new ATOM 961 N CYS A 62 -9.465 -6.514 -27.379 1.00 0.00 N ATOM 962 CA CYS A 62 -8.019 -6.273 -27.096 1.00 0.00 C ATOM 963 C CYS A 62 -7.108 -6.813 -28.214 1.00 0.00 C ATOM 964 O CYS A 62 -5.923 -6.542 -28.225 1.00 0.00 O ATOM 965 CB CYS A 62 -7.653 -6.991 -25.782 1.00 0.00 C ATOM 966 SG CYS A 62 -8.743 -8.328 -25.230 1.00 0.00 S ATOM 0 H CYS A 62 -10.007 -6.895 -26.603 1.00 0.00 H new ATOM 0 HA CYS A 62 -7.865 -5.196 -27.027 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.648 -7.399 -25.890 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.610 -6.243 -24.990 1.00 0.00 H new ATOM 0 HG CYS A 62 -8.292 -8.823 -24.116 1.00 0.00 H new ATOM 972 N ASP A 63 -7.673 -7.562 -29.134 1.00 0.00 N ATOM 973 CA ASP A 63 -6.833 -8.118 -30.247 1.00 0.00 C ATOM 974 C ASP A 63 -6.899 -7.253 -31.511 1.00 0.00 C ATOM 975 O ASP A 63 -6.304 -7.582 -32.518 1.00 0.00 O ATOM 976 CB ASP A 63 -7.361 -9.519 -30.590 1.00 0.00 C ATOM 977 CG ASP A 63 -6.565 -10.087 -31.769 1.00 0.00 C ATOM 978 OD1 ASP A 63 -5.355 -10.137 -31.630 1.00 0.00 O ATOM 979 OD2 ASP A 63 -7.214 -10.439 -32.740 1.00 0.00 O ATOM 0 H ASP A 63 -8.662 -7.809 -29.164 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.796 -8.143 -29.911 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.270 -10.176 -29.725 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.420 -9.469 -30.842 1.00 0.00 H new ATOM 984 N THR A 64 -7.621 -6.173 -31.442 1.00 0.00 N ATOM 985 CA THR A 64 -7.730 -5.290 -32.631 1.00 0.00 C ATOM 986 C THR A 64 -7.975 -3.846 -32.221 1.00 0.00 C ATOM 987 O THR A 64 -7.415 -2.932 -32.796 1.00 0.00 O ATOM 988 CB THR A 64 -8.909 -5.771 -33.485 1.00 0.00 C ATOM 989 OG1 THR A 64 -9.915 -6.139 -32.563 1.00 0.00 O ATOM 990 CG2 THR A 64 -8.558 -7.076 -34.215 1.00 0.00 C ATOM 0 H THR A 64 -8.138 -5.865 -30.618 1.00 0.00 H new ATOM 0 HA THR A 64 -6.796 -5.335 -33.191 1.00 0.00 H new ATOM 0 HB THR A 64 -9.187 -4.996 -34.199 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.704 -6.457 -33.049 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.410 -7.398 -34.814 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.699 -6.910 -34.865 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.316 -7.848 -33.484 1.00 0.00 H new ATOM 998 N ASN A 65 -8.814 -3.670 -31.236 1.00 0.00 N ATOM 999 CA ASN A 65 -9.118 -2.299 -30.763 1.00 0.00 C ATOM 1000 C ASN A 65 -9.177 -2.271 -29.237 1.00 0.00 C ATOM 1001 O ASN A 65 -10.232 -2.338 -28.636 1.00 0.00 O ATOM 1002 CB ASN A 65 -10.480 -1.872 -31.357 1.00 0.00 C ATOM 1003 CG ASN A 65 -10.450 -0.372 -31.656 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -10.688 0.451 -30.795 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -10.160 0.024 -32.866 1.00 0.00 N ATOM 0 H ASN A 65 -9.299 -4.419 -30.742 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.338 -1.610 -31.086 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.684 -2.433 -32.269 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.283 -2.099 -30.656 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.134 1.020 -33.084 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.959 -0.663 -33.593 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.027 -2.180 -28.639 1.00 0.00 N ATOM 1013 CA GLU A 66 -7.973 -2.145 -27.155 1.00 0.00 C ATOM 1014 C GLU A 66 -8.752 -0.953 -26.632 1.00 0.00 C ATOM 1015 O GLU A 66 -8.995 -0.827 -25.445 1.00 0.00 O ATOM 1016 CB GLU A 66 -6.501 -2.001 -26.719 1.00 0.00 C ATOM 1017 CG GLU A 66 -5.718 -3.260 -27.114 1.00 0.00 C ATOM 1018 CD GLU A 66 -5.956 -3.572 -28.593 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -5.183 -3.060 -29.386 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -6.896 -4.306 -28.847 1.00 0.00 O ATOM 0 H GLU A 66 -7.124 -2.128 -29.111 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.407 -3.062 -26.757 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.057 -1.123 -27.188 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.444 -1.849 -25.641 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.654 -3.111 -26.930 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.032 -4.103 -26.499 1.00 0.00 H new ATOM 1027 N ALA A 67 -9.142 -0.106 -27.534 1.00 0.00 N ATOM 1028 CA ALA A 67 -9.904 1.091 -27.139 1.00 0.00 C ATOM 1029 C ALA A 67 -11.295 0.708 -26.668 1.00 0.00 C ATOM 1030 O ALA A 67 -11.805 1.251 -25.708 1.00 0.00 O ATOM 1031 CB ALA A 67 -10.025 1.988 -28.373 1.00 0.00 C ATOM 0 H ALA A 67 -8.962 -0.196 -28.534 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.393 1.602 -26.323 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.586 2.887 -28.116 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.030 2.267 -28.719 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.546 1.449 -29.165 1.00 0.00 H new ATOM 1037 N ALA A 68 -11.881 -0.220 -27.355 1.00 0.00 N ATOM 1038 CA ALA A 68 -13.237 -0.664 -26.978 1.00 0.00 C ATOM 1039 C ALA A 68 -13.203 -1.466 -25.681 1.00 0.00 C ATOM 1040 O ALA A 68 -13.862 -1.126 -24.719 1.00 0.00 O ATOM 1041 CB ALA A 68 -13.764 -1.560 -28.103 1.00 0.00 C ATOM 0 H ALA A 68 -11.477 -0.691 -28.164 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.878 0.205 -26.828 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.767 -1.905 -27.853 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.796 -0.994 -29.034 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.104 -2.419 -28.223 1.00 0.00 H new ATOM 1047 N TYR A 69 -12.431 -2.516 -25.680 1.00 0.00 N ATOM 1048 CA TYR A 69 -12.336 -3.356 -24.461 1.00 0.00 C ATOM 1049 C TYR A 69 -12.153 -2.489 -23.220 1.00 0.00 C ATOM 1050 O TYR A 69 -12.676 -2.796 -22.166 1.00 0.00 O ATOM 1051 CB TYR A 69 -11.116 -4.284 -24.618 1.00 0.00 C ATOM 1052 CG TYR A 69 -10.586 -4.691 -23.238 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -9.882 -3.791 -22.462 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -10.791 -5.969 -22.759 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -9.392 -4.164 -21.229 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -10.299 -6.340 -21.524 1.00 0.00 C ATOM 1057 CZ TYR A 69 -9.597 -5.440 -20.752 1.00 0.00 C ATOM 1058 OH TYR A 69 -9.103 -5.811 -19.527 1.00 0.00 O ATOM 0 H TYR A 69 -11.864 -2.826 -26.469 1.00 0.00 H new ATOM 0 HA TYR A 69 -13.253 -3.932 -24.342 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.395 -5.172 -25.186 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.333 -3.777 -25.182 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.714 -2.787 -22.824 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.340 -6.683 -23.354 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.843 -3.451 -20.632 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.465 -7.343 -21.160 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.896 -6.769 -19.534 1.00 0.00 H new ATOM 1068 N LYS A 70 -11.413 -1.420 -23.360 1.00 0.00 N ATOM 1069 CA LYS A 70 -11.196 -0.533 -22.190 1.00 0.00 C ATOM 1070 C LYS A 70 -12.436 0.308 -21.915 1.00 0.00 C ATOM 1071 O LYS A 70 -12.766 0.584 -20.780 1.00 0.00 O ATOM 1072 CB LYS A 70 -10.025 0.408 -22.500 1.00 0.00 C ATOM 1073 CG LYS A 70 -9.981 1.513 -21.443 1.00 0.00 C ATOM 1074 CD LYS A 70 -8.716 2.346 -21.644 1.00 0.00 C ATOM 1075 CE LYS A 70 -8.852 3.662 -20.877 1.00 0.00 C ATOM 1076 NZ LYS A 70 -7.656 4.519 -21.103 1.00 0.00 N ATOM 0 H LYS A 70 -10.957 -1.129 -24.225 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.983 -1.147 -21.315 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.087 -0.147 -22.504 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.143 0.841 -23.493 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.865 2.146 -21.523 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.990 1.078 -20.444 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.844 1.795 -21.292 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.561 2.544 -22.705 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.751 4.188 -21.200 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.967 3.460 -19.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.762 5.409 -20.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.805 4.021 -20.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.564 4.726 -22.118 1.00 0.00 H new ATOM 1090 N ALA A 71 -13.102 0.700 -22.966 1.00 0.00 N ATOM 1091 CA ALA A 71 -14.320 1.521 -22.790 1.00 0.00 C ATOM 1092 C ALA A 71 -15.403 0.735 -22.064 1.00 0.00 C ATOM 1093 O ALA A 71 -15.923 1.176 -21.064 1.00 0.00 O ATOM 1094 CB ALA A 71 -14.845 1.914 -24.178 1.00 0.00 C ATOM 0 H ALA A 71 -12.853 0.486 -23.932 1.00 0.00 H new ATOM 0 HA ALA A 71 -14.071 2.403 -22.199 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.744 2.521 -24.069 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.083 2.487 -24.706 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -15.081 1.014 -24.746 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.725 -0.420 -22.582 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.775 -1.244 -21.929 1.00 0.00 C ATOM 1102 C ARG A 72 -16.348 -1.669 -20.524 1.00 0.00 C ATOM 1103 O ARG A 72 -17.148 -1.681 -19.612 1.00 0.00 O ATOM 1104 CB ARG A 72 -17.003 -2.504 -22.779 1.00 0.00 C ATOM 1105 CG ARG A 72 -17.210 -2.097 -24.240 1.00 0.00 C ATOM 1106 CD ARG A 72 -17.283 -3.356 -25.106 1.00 0.00 C ATOM 1107 NE ARG A 72 -16.115 -4.228 -24.794 1.00 0.00 N ATOM 1108 CZ ARG A 72 -16.181 -5.506 -25.054 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -15.894 -5.921 -26.259 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -16.527 -6.327 -24.101 1.00 0.00 N ATOM 0 H ARG A 72 -15.309 -0.823 -23.422 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.687 -0.652 -21.849 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.148 -3.174 -22.694 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.873 -3.050 -22.415 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.127 -1.517 -24.342 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.391 -1.459 -24.572 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.214 -3.891 -24.915 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.281 -3.087 -26.162 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.272 -3.830 -24.381 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.624 -5.250 -26.978 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.940 -6.916 -26.480 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.741 -5.967 -23.171 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.584 -7.328 -24.286 1.00 0.00 H new ATOM 1124 N TYR A 73 -15.097 -2.010 -20.376 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.614 -2.435 -19.035 1.00 0.00 C ATOM 1126 C TYR A 73 -14.856 -1.351 -17.990 1.00 0.00 C ATOM 1127 O TYR A 73 -15.423 -1.609 -16.949 1.00 0.00 O ATOM 1128 CB TYR A 73 -13.106 -2.698 -19.117 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.542 -2.785 -17.698 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -13.023 -3.728 -16.810 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.554 -1.916 -17.281 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -12.525 -3.799 -15.524 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -11.057 -1.988 -15.994 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.538 -2.930 -15.107 1.00 0.00 C ATOM 1135 OH TYR A 73 -11.042 -3.000 -13.820 1.00 0.00 O ATOM 0 H TYR A 73 -14.397 -2.013 -21.117 1.00 0.00 H new ATOM 0 HA TYR A 73 -15.158 -3.333 -18.741 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.914 -3.625 -19.657 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.613 -1.899 -19.670 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.795 -4.415 -17.124 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.167 -1.175 -17.965 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.911 -4.540 -14.840 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.285 -1.301 -15.679 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.738 -3.340 -13.219 1.00 0.00 H new ATOM 1145 N ARG A 74 -14.426 -0.156 -18.291 1.00 0.00 N ATOM 1146 CA ARG A 74 -14.618 0.966 -17.324 1.00 0.00 C ATOM 1147 C ARG A 74 -16.065 1.468 -17.303 1.00 0.00 C ATOM 1148 O ARG A 74 -16.646 1.644 -16.250 1.00 0.00 O ATOM 1149 CB ARG A 74 -13.696 2.124 -17.749 1.00 0.00 C ATOM 1150 CG ARG A 74 -13.694 3.197 -16.654 1.00 0.00 C ATOM 1151 CD ARG A 74 -12.709 4.305 -17.039 1.00 0.00 C ATOM 1152 NE ARG A 74 -13.230 5.024 -18.236 1.00 0.00 N ATOM 1153 CZ ARG A 74 -14.155 5.936 -18.089 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -14.400 6.405 -16.895 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -14.804 6.347 -19.143 1.00 0.00 N ATOM 0 H ARG A 74 -13.952 0.093 -19.159 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.379 0.605 -16.324 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.684 1.756 -17.916 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.039 2.550 -18.692 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.695 3.610 -16.531 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.411 2.758 -15.698 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.581 5.000 -16.209 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.729 3.879 -17.253 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.867 4.806 -19.164 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.873 6.059 -16.093 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.119 7.117 -16.764 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.586 5.958 -20.060 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.530 7.058 -19.050 1.00 0.00 H new ATOM 1169 N ILE A 75 -16.615 1.692 -18.459 1.00 0.00 N ATOM 1170 CA ILE A 75 -18.021 2.185 -18.517 1.00 0.00 C ATOM 1171 C ILE A 75 -18.989 1.234 -17.817 1.00 0.00 C ATOM 1172 O ILE A 75 -19.925 1.666 -17.175 1.00 0.00 O ATOM 1173 CB ILE A 75 -18.435 2.300 -19.985 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -17.687 3.450 -20.645 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -19.941 2.600 -20.041 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -17.925 3.401 -22.156 1.00 0.00 C ATOM 0 H ILE A 75 -16.159 1.558 -19.362 1.00 0.00 H new ATOM 0 HA ILE A 75 -18.063 3.149 -18.010 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.203 1.370 -20.505 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -18.030 4.403 -20.241 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.621 3.378 -20.430 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -20.256 2.686 -21.081 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -20.491 1.791 -19.560 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -20.145 3.536 -19.521 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.392 4.222 -22.635 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.561 2.453 -22.551 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.992 3.493 -22.359 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.750 -0.042 -17.956 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.651 -1.032 -17.303 1.00 0.00 C ATOM 1190 C ILE A 76 -19.108 -1.476 -15.948 1.00 0.00 C ATOM 1191 O ILE A 76 -19.784 -2.161 -15.206 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.767 -2.254 -18.219 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -20.223 -1.817 -19.614 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -20.814 -3.218 -17.627 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -21.736 -1.556 -19.611 1.00 0.00 C ATOM 0 H ILE A 76 -17.976 -0.439 -18.489 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.623 -0.566 -17.140 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.798 -2.746 -18.296 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -19.690 -0.915 -19.914 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -19.980 -2.589 -20.344 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -20.907 -4.093 -18.270 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -20.499 -3.531 -16.631 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -21.777 -2.713 -17.561 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.054 -1.245 -20.606 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -22.262 -2.468 -19.330 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -21.968 -0.768 -18.894 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.893 -1.091 -15.649 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.301 -1.492 -14.340 1.00 0.00 C ATOM 1209 C TYR A 77 -18.327 -1.347 -13.218 1.00 0.00 C ATOM 1210 O TYR A 77 -18.606 -2.279 -12.494 1.00 0.00 O ATOM 1211 CB TYR A 77 -16.108 -0.551 -14.037 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.411 -0.934 -12.701 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -15.655 -2.150 -12.062 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -14.492 -0.069 -12.128 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -14.997 -2.475 -10.903 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -13.841 -0.409 -10.966 1.00 0.00 C ATOM 1217 CZ TYR A 77 -14.089 -1.612 -10.348 1.00 0.00 C ATOM 1218 OH TYR A 77 -13.420 -1.957 -9.207 1.00 0.00 O ATOM 0 H TYR A 77 -17.293 -0.523 -16.247 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.981 -2.532 -14.396 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -15.387 -0.600 -14.853 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.459 0.479 -13.984 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -16.369 -2.842 -12.484 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -14.285 0.881 -12.599 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.197 -3.421 -10.423 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -13.127 0.276 -10.534 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.019 -2.844 -9.318 1.00 0.00 H new ATOM 1228 N SER A 78 -18.878 -0.179 -13.113 1.00 0.00 N ATOM 1229 CA SER A 78 -19.888 0.069 -12.053 1.00 0.00 C ATOM 1230 C SER A 78 -20.856 -1.100 -11.895 1.00 0.00 C ATOM 1231 O SER A 78 -21.025 -1.623 -10.812 1.00 0.00 O ATOM 1232 CB SER A 78 -20.684 1.322 -12.437 1.00 0.00 C ATOM 1233 OG SER A 78 -21.352 0.957 -13.635 1.00 0.00 O ATOM 0 H SER A 78 -18.674 0.618 -13.715 1.00 0.00 H new ATOM 0 HA SER A 78 -19.366 0.197 -11.104 1.00 0.00 H new ATOM 0 HB2 SER A 78 -21.391 1.599 -11.655 1.00 0.00 H new ATOM 0 HB3 SER A 78 -20.028 2.179 -12.592 1.00 0.00 H new ATOM 0 HG SER A 78 -21.892 1.711 -13.951 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.480 -1.490 -12.966 1.00 0.00 N ATOM 1240 CA ASN A 79 -22.434 -2.623 -12.869 1.00 0.00 C ATOM 1241 C ASN A 79 -21.756 -3.862 -12.304 1.00 0.00 C ATOM 1242 O ASN A 79 -22.325 -4.562 -11.489 1.00 0.00 O ATOM 1243 CB ASN A 79 -22.969 -2.943 -14.270 1.00 0.00 C ATOM 1244 CG ASN A 79 -23.895 -1.814 -14.730 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -23.514 -0.959 -15.504 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -25.121 -1.775 -14.278 1.00 0.00 N ATOM 0 H ASN A 79 -21.373 -1.080 -13.894 1.00 0.00 H new ATOM 0 HA ASN A 79 -23.247 -2.337 -12.201 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -22.141 -3.058 -14.970 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -23.509 -3.889 -14.258 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.751 -1.030 -14.576 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.448 -2.490 -13.628 1.00 0.00 H new ATOM 1253 N VAL A 80 -20.553 -4.121 -12.739 1.00 0.00 N ATOM 1254 CA VAL A 80 -19.849 -5.315 -12.218 1.00 0.00 C ATOM 1255 C VAL A 80 -19.847 -5.286 -10.701 1.00 0.00 C ATOM 1256 O VAL A 80 -20.051 -6.294 -10.056 1.00 0.00 O ATOM 1257 CB VAL A 80 -18.392 -5.302 -12.720 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -17.728 -6.636 -12.368 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -18.381 -5.124 -14.238 1.00 0.00 C ATOM 0 H VAL A 80 -20.038 -3.565 -13.422 1.00 0.00 H new ATOM 0 HA VAL A 80 -20.357 -6.214 -12.566 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.850 -4.482 -12.250 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.697 -6.633 -12.721 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.742 -6.775 -11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.272 -7.451 -12.846 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.351 -5.114 -14.596 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -18.920 -5.949 -14.705 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.864 -4.182 -14.497 1.00 0.00 H new ATOM 1269 N ILE A 81 -19.619 -4.120 -10.153 1.00 0.00 N ATOM 1270 CA ILE A 81 -19.602 -4.004 -8.679 1.00 0.00 C ATOM 1271 C ILE A 81 -20.980 -4.312 -8.111 1.00 0.00 C ATOM 1272 O ILE A 81 -21.115 -4.691 -6.964 1.00 0.00 O ATOM 1273 CB ILE A 81 -19.229 -2.576 -8.313 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -18.235 -2.038 -9.328 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -18.560 -2.587 -6.928 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -17.480 -0.872 -8.708 1.00 0.00 C ATOM 0 H ILE A 81 -19.446 -3.254 -10.664 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.881 -4.711 -8.268 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.121 -1.950 -8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.539 -2.822 -9.626 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.755 -1.714 -10.229 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -18.285 -1.570 -6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.255 -2.991 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.665 -3.208 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -16.763 -0.478 -9.429 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -18.185 -0.088 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.950 -1.213 -7.819 1.00 0.00 H new ATOM 1288 N SER A 82 -21.984 -4.139 -8.935 1.00 0.00 N ATOM 1289 CA SER A 82 -23.365 -4.414 -8.474 1.00 0.00 C ATOM 1290 C SER A 82 -23.679 -5.903 -8.568 1.00 0.00 C ATOM 1291 O SER A 82 -23.965 -6.545 -7.577 1.00 0.00 O ATOM 1292 CB SER A 82 -24.339 -3.643 -9.378 1.00 0.00 C ATOM 1293 OG SER A 82 -23.679 -2.412 -9.631 1.00 0.00 O ATOM 0 H SER A 82 -21.900 -3.821 -9.900 1.00 0.00 H new ATOM 0 HA SER A 82 -23.465 -4.101 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 82 -24.539 -4.185 -10.302 1.00 0.00 H new ATOM 0 HB3 SER A 82 -25.299 -3.486 -8.887 1.00 0.00 H new ATOM 0 HG SER A 82 -24.239 -1.854 -10.210 1.00 0.00 H new ATOM 1299 N LYS A 83 -23.620 -6.424 -9.764 1.00 0.00 N ATOM 1300 CA LYS A 83 -23.910 -7.869 -9.947 1.00 0.00 C ATOM 1301 C LYS A 83 -23.293 -8.386 -11.241 1.00 0.00 C ATOM 1302 O LYS A 83 -22.432 -7.750 -11.819 1.00 0.00 O ATOM 1303 CB LYS A 83 -25.435 -8.059 -10.011 1.00 0.00 C ATOM 1304 CG LYS A 83 -26.077 -6.813 -10.623 1.00 0.00 C ATOM 1305 CD LYS A 83 -27.595 -7.004 -10.664 1.00 0.00 C ATOM 1306 CE LYS A 83 -28.275 -5.635 -10.755 1.00 0.00 C ATOM 1307 NZ LYS A 83 -29.006 -5.332 -9.493 1.00 0.00 N ATOM 0 H LYS A 83 -23.385 -5.913 -10.615 1.00 0.00 H new ATOM 0 HA LYS A 83 -23.484 -8.424 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -25.678 -8.938 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -25.833 -8.233 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -25.824 -5.931 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -25.691 -6.646 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -27.873 -7.618 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -27.931 -7.531 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -27.529 -4.863 -10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -28.968 -5.622 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -29.462 -4.400 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -29.731 -6.059 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -28.336 -5.325 -8.697 1.00 0.00 H new ATOM 1321 N ASN A 84 -23.744 -9.532 -11.676 1.00 0.00 N ATOM 1322 CA ASN A 84 -23.195 -10.106 -12.930 1.00 0.00 C ATOM 1323 C ASN A 84 -23.983 -9.625 -14.148 1.00 0.00 C ATOM 1324 O ASN A 84 -24.821 -8.752 -14.042 1.00 0.00 O ATOM 1325 CB ASN A 84 -23.301 -11.637 -12.842 1.00 0.00 C ATOM 1326 CG ASN A 84 -22.491 -12.133 -11.641 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -22.495 -11.534 -10.584 1.00 0.00 O ATOM 1328 ND2 ASN A 84 -21.782 -13.223 -11.762 1.00 0.00 N ATOM 0 H ASN A 84 -24.465 -10.090 -11.218 1.00 0.00 H new ATOM 0 HA ASN A 84 -22.159 -9.786 -13.044 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -24.344 -11.935 -12.740 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -22.928 -12.092 -13.760 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.236 -13.567 -10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -21.774 -13.731 -12.647 1.00 0.00 H new ATOM 1335 N ASN A 85 -23.696 -10.206 -15.286 1.00 0.00 N ATOM 1336 CA ASN A 85 -24.418 -9.797 -16.523 1.00 0.00 C ATOM 1337 C ASN A 85 -24.176 -8.322 -16.828 1.00 0.00 C ATOM 1338 O ASN A 85 -25.032 -7.480 -16.639 1.00 0.00 O ATOM 1339 CB ASN A 85 -25.926 -10.028 -16.303 1.00 0.00 C ATOM 1340 CG ASN A 85 -26.127 -11.292 -15.466 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -25.294 -12.284 -15.608 1.00 0.00 O flip ATOM 1342 ND2 ASN A 85 -27.043 -11.386 -14.672 1.00 0.00 N flip ATOM 0 H ASN A 85 -22.998 -10.940 -15.409 1.00 0.00 H new ATOM 0 HA ASN A 85 -24.054 -10.387 -17.364 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -26.367 -9.169 -15.797 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -26.434 -10.129 -17.262 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -27.699 -10.613 -14.556 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -27.156 -12.238 -14.122 1.00 0.00 H new ATOM 1349 N PRO A 86 -22.995 -8.051 -17.298 1.00 0.00 N ATOM 1350 CA PRO A 86 -22.587 -6.701 -17.644 1.00 0.00 C ATOM 1351 C PRO A 86 -23.100 -6.287 -19.027 1.00 0.00 C ATOM 1352 O PRO A 86 -23.330 -5.122 -19.280 1.00 0.00 O ATOM 1353 CB PRO A 86 -21.051 -6.775 -17.677 1.00 0.00 C ATOM 1354 CG PRO A 86 -20.668 -8.289 -17.658 1.00 0.00 C ATOM 1355 CD PRO A 86 -21.972 -9.076 -17.477 1.00 0.00 C ATOM 0 HA PRO A 86 -22.982 -5.971 -16.937 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -20.660 -6.289 -18.571 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -20.621 -6.257 -16.819 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -20.171 -8.573 -18.585 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -19.973 -8.501 -16.846 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -22.183 -9.700 -18.345 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -21.919 -9.739 -16.613 1.00 0.00 H new ATOM 1363 N ASP A 87 -23.263 -7.251 -19.900 1.00 0.00 N ATOM 1364 CA ASP A 87 -23.756 -6.920 -21.262 1.00 0.00 C ATOM 1365 C ASP A 87 -22.798 -5.939 -21.922 1.00 0.00 C ATOM 1366 O ASP A 87 -23.206 -4.991 -22.563 1.00 0.00 O ATOM 1367 CB ASP A 87 -25.141 -6.263 -21.136 1.00 0.00 C ATOM 1368 CG ASP A 87 -25.918 -6.932 -19.998 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -26.177 -8.114 -20.142 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -26.208 -6.220 -19.049 1.00 0.00 O ATOM 0 H ASP A 87 -23.077 -8.239 -19.727 1.00 0.00 H new ATOM 0 HA ASP A 87 -23.821 -7.826 -21.865 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -25.033 -5.196 -20.940 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -25.689 -6.361 -22.073 1.00 0.00 H new ATOM 1375 N LEU A 88 -21.533 -6.200 -21.750 1.00 0.00 N ATOM 1376 CA LEU A 88 -20.498 -5.309 -22.346 1.00 0.00 C ATOM 1377 C LEU A 88 -20.720 -5.046 -23.844 1.00 0.00 C ATOM 1378 O LEU A 88 -20.882 -3.913 -24.251 1.00 0.00 O ATOM 1379 CB LEU A 88 -19.119 -5.977 -22.168 1.00 0.00 C ATOM 1380 CG LEU A 88 -18.965 -6.437 -20.714 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -17.684 -7.260 -20.575 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -18.874 -5.208 -19.805 1.00 0.00 C ATOM 0 H LEU A 88 -21.170 -6.993 -21.222 1.00 0.00 H new ATOM 0 HA LEU A 88 -20.559 -4.349 -21.833 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -19.024 -6.828 -22.843 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.326 -5.275 -22.426 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.824 -7.045 -20.429 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.573 -7.588 -19.542 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.738 -8.131 -21.228 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.826 -6.649 -20.856 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -18.764 -5.529 -18.769 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.011 -4.606 -20.092 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -19.781 -4.613 -19.906 1.00 0.00 H new ATOM 1579 N PHE A 101 -31.945 6.994 -36.037 1.00 0.00 N ATOM 1580 CA PHE A 101 -31.274 8.276 -35.655 1.00 0.00 C ATOM 1581 C PHE A 101 -29.754 8.213 -35.850 1.00 0.00 C ATOM 1582 O PHE A 101 -29.122 9.225 -36.074 1.00 0.00 O ATOM 1583 CB PHE A 101 -31.594 8.548 -34.162 1.00 0.00 C ATOM 1584 CG PHE A 101 -30.332 9.009 -33.430 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -29.348 8.098 -33.100 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -30.153 10.342 -33.107 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -28.202 8.511 -32.460 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -29.005 10.754 -32.466 1.00 0.00 C ATOM 1589 CZ PHE A 101 -28.030 9.837 -32.143 1.00 0.00 C ATOM 0 HA PHE A 101 -31.646 9.075 -36.297 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -32.370 9.310 -34.081 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -31.985 7.644 -33.695 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -29.479 7.055 -33.346 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -30.917 11.063 -33.358 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -27.437 7.792 -32.207 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -28.870 11.796 -32.217 1.00 0.00 H new ATOM 0 HZ PHE A 101 -27.130 10.160 -31.641 1.00 0.00 H new ATOM 1599 N LEU A 102 -29.198 7.037 -35.755 1.00 0.00 N ATOM 1600 CA LEU A 102 -27.728 6.911 -35.936 1.00 0.00 C ATOM 1601 C LEU A 102 -27.245 7.767 -37.108 1.00 0.00 C ATOM 1602 O LEU A 102 -26.134 8.261 -37.103 1.00 0.00 O ATOM 1603 CB LEU A 102 -27.404 5.437 -36.236 1.00 0.00 C ATOM 1604 CG LEU A 102 -26.560 4.868 -35.096 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -26.584 3.340 -35.166 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -25.118 5.357 -35.246 1.00 0.00 C ATOM 0 H LEU A 102 -29.694 6.167 -35.562 1.00 0.00 H new ATOM 0 HA LEU A 102 -27.228 7.250 -35.029 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -28.325 4.864 -36.344 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -26.865 5.355 -37.180 1.00 0.00 H new ATOM 0 HG LEU A 102 -26.963 5.198 -34.139 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -25.983 2.929 -34.355 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -27.611 2.988 -35.071 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -26.175 3.013 -36.122 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -24.511 4.954 -34.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -24.717 5.020 -36.202 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -25.097 6.446 -35.208 1.00 0.00 H new ATOM 1618 N ALA A 103 -28.092 7.923 -38.092 1.00 0.00 N ATOM 1619 CA ALA A 103 -27.707 8.740 -39.273 1.00 0.00 C ATOM 1620 C ALA A 103 -28.215 10.168 -39.144 1.00 0.00 C ATOM 1621 O ALA A 103 -27.445 11.091 -38.956 1.00 0.00 O ATOM 1622 CB ALA A 103 -28.339 8.108 -40.523 1.00 0.00 C ATOM 0 H ALA A 103 -29.029 7.521 -38.126 1.00 0.00 H new ATOM 0 HA ALA A 103 -26.620 8.764 -39.344 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -28.069 8.693 -41.402 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -27.974 7.088 -40.639 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -29.424 8.095 -40.415 1.00 0.00 H new ATOM 1628 N THR A 104 -29.509 10.320 -39.251 1.00 0.00 N ATOM 1629 CA THR A 104 -30.109 11.677 -39.140 1.00 0.00 C ATOM 1630 C THR A 104 -31.397 11.635 -38.333 1.00 0.00 C ATOM 1631 O THR A 104 -31.922 10.578 -38.055 1.00 0.00 O ATOM 1632 CB THR A 104 -30.438 12.177 -40.551 1.00 0.00 C ATOM 1633 OG1 THR A 104 -31.413 13.183 -40.369 1.00 0.00 O ATOM 1634 CG2 THR A 104 -31.154 11.089 -41.372 1.00 0.00 C ATOM 0 H THR A 104 -30.173 9.563 -39.410 1.00 0.00 H new ATOM 0 HA THR A 104 -29.400 12.337 -38.640 1.00 0.00 H new ATOM 0 HB THR A 104 -29.522 12.489 -41.053 1.00 0.00 H new ATOM 0 HG1 THR A 104 -31.052 14.045 -40.664 1.00 0.00 H new ATOM 0 HG21 THR A 104 -31.375 11.472 -42.368 1.00 0.00 H new ATOM 0 HG22 THR A 104 -30.511 10.213 -41.454 1.00 0.00 H new ATOM 0 HG23 THR A 104 -32.084 10.811 -40.875 1.00 0.00 H new ATOM 1642 N CYS A 105 -31.887 12.791 -37.979 1.00 0.00 N ATOM 1643 CA CYS A 105 -33.143 12.840 -37.188 1.00 0.00 C ATOM 1644 C CYS A 105 -34.352 13.031 -38.094 1.00 0.00 C ATOM 1645 O CYS A 105 -35.167 12.143 -38.242 1.00 0.00 O ATOM 1646 CB CYS A 105 -33.059 14.027 -36.215 1.00 0.00 C ATOM 1647 SG CYS A 105 -32.053 15.448 -36.714 1.00 0.00 S ATOM 0 H CYS A 105 -31.474 13.696 -38.202 1.00 0.00 H new ATOM 0 HA CYS A 105 -33.259 11.899 -36.650 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -34.073 14.381 -36.029 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -32.671 13.657 -35.266 1.00 0.00 H new ATOM 0 HG CYS A 105 -32.093 16.356 -35.784 1.00 0.00 H new ATOM 1653 N ASP A 106 -34.448 14.188 -38.686 1.00 0.00 N ATOM 1654 CA ASP A 106 -35.599 14.455 -39.586 1.00 0.00 C ATOM 1655 C ASP A 106 -35.333 13.919 -40.987 1.00 0.00 C ATOM 1656 O ASP A 106 -36.176 13.278 -41.581 1.00 0.00 O ATOM 1657 CB ASP A 106 -35.807 15.974 -39.666 1.00 0.00 C ATOM 1658 CG ASP A 106 -36.898 16.286 -40.690 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -38.012 15.858 -40.441 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -36.556 16.934 -41.665 1.00 0.00 O ATOM 0 H ASP A 106 -33.783 14.955 -38.586 1.00 0.00 H new ATOM 0 HA ASP A 106 -36.484 13.957 -39.188 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -36.088 16.365 -38.688 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -34.876 16.465 -39.950 1.00 0.00 H new ATOM 1665 N ALA A 107 -34.164 14.195 -41.492 1.00 0.00 N ATOM 1666 CA ALA A 107 -33.827 13.710 -42.853 1.00 0.00 C ATOM 1667 C ALA A 107 -34.205 12.246 -43.016 1.00 0.00 C ATOM 1668 O ALA A 107 -34.257 11.738 -44.118 1.00 0.00 O ATOM 1669 CB ALA A 107 -32.311 13.854 -43.061 1.00 0.00 C ATOM 0 H ALA A 107 -33.434 14.732 -41.024 1.00 0.00 H new ATOM 0 HA ALA A 107 -34.381 14.298 -43.585 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -32.045 13.502 -44.058 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -32.028 14.902 -42.959 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -31.783 13.261 -42.314 1.00 0.00 H new ATOM 1675 N LYS A 108 -34.465 11.592 -41.918 1.00 0.00 N ATOM 1676 CA LYS A 108 -34.840 10.164 -42.009 1.00 0.00 C ATOM 1677 C LYS A 108 -35.944 9.979 -43.025 1.00 0.00 C ATOM 1678 O LYS A 108 -36.030 8.952 -43.668 1.00 0.00 O ATOM 1679 CB LYS A 108 -35.339 9.693 -40.632 1.00 0.00 C ATOM 1680 CG LYS A 108 -35.384 8.163 -40.612 1.00 0.00 C ATOM 1681 CD LYS A 108 -35.689 7.685 -39.188 1.00 0.00 C ATOM 1682 CE LYS A 108 -37.100 8.135 -38.795 1.00 0.00 C ATOM 1683 NZ LYS A 108 -37.791 7.067 -38.013 1.00 0.00 N ATOM 0 H LYS A 108 -34.433 11.983 -40.976 1.00 0.00 H new ATOM 0 HA LYS A 108 -33.972 9.582 -42.317 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -34.678 10.060 -39.847 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -36.330 10.101 -40.431 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -36.147 7.801 -41.301 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -34.431 7.755 -40.949 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -35.612 6.599 -39.132 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -34.957 8.093 -38.491 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -37.045 9.049 -38.204 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -37.676 8.369 -39.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -38.746 7.388 -37.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -37.860 6.204 -38.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -37.249 6.863 -37.149 1.00 0.00 H new ATOM 1697 N ASP A 109 -36.780 10.975 -43.159 1.00 0.00 N ATOM 1698 CA ASP A 109 -37.872 10.851 -44.138 1.00 0.00 C ATOM 1699 C ASP A 109 -37.273 10.413 -45.436 1.00 0.00 C ATOM 1700 O ASP A 109 -37.789 9.550 -46.118 1.00 0.00 O ATOM 1701 CB ASP A 109 -38.537 12.222 -44.318 1.00 0.00 C ATOM 1702 CG ASP A 109 -39.836 12.057 -45.107 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -39.803 11.280 -46.048 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -40.789 12.715 -44.725 1.00 0.00 O ATOM 0 H ASP A 109 -36.747 11.851 -42.637 1.00 0.00 H new ATOM 0 HA ASP A 109 -38.618 10.131 -43.801 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -38.744 12.669 -43.345 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -37.863 12.899 -44.843 1.00 0.00 H new ATOM 1709 N LEU A 110 -36.178 11.028 -45.757 1.00 0.00 N ATOM 1710 CA LEU A 110 -35.492 10.687 -46.998 1.00 0.00 C ATOM 1711 C LEU A 110 -33.998 10.777 -46.778 1.00 0.00 C ATOM 1712 O LEU A 110 -33.377 11.774 -47.086 1.00 0.00 O ATOM 1713 CB LEU A 110 -35.900 11.696 -48.085 1.00 0.00 C ATOM 1714 CG LEU A 110 -35.907 13.102 -47.480 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -35.021 14.024 -48.324 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -37.340 13.644 -47.480 1.00 0.00 C ATOM 0 H LEU A 110 -35.734 11.758 -45.200 1.00 0.00 H new ATOM 0 HA LEU A 110 -35.760 9.677 -47.306 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -35.204 11.650 -48.922 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -36.887 11.449 -48.477 1.00 0.00 H new ATOM 0 HG LEU A 110 -35.527 13.062 -46.459 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -35.025 15.026 -47.894 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -34.002 13.638 -48.336 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -35.405 14.065 -49.343 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -37.350 14.645 -47.050 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -37.714 13.685 -48.503 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -37.977 12.988 -46.887 1.00 0.00 H new ATOM 1728 N ALA A 111 -33.447 9.723 -46.243 1.00 0.00 N ATOM 1729 CA ALA A 111 -31.985 9.713 -45.989 1.00 0.00 C ATOM 1730 C ALA A 111 -31.216 9.063 -47.149 1.00 0.00 C ATOM 1731 O ALA A 111 -30.253 9.619 -47.640 1.00 0.00 O ATOM 1732 CB ALA A 111 -31.711 8.924 -44.694 1.00 0.00 C ATOM 0 H ALA A 111 -33.945 8.875 -45.973 1.00 0.00 H new ATOM 0 HA ALA A 111 -31.644 10.744 -45.894 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -30.639 8.910 -44.497 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -32.227 9.401 -43.861 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -32.073 7.902 -44.807 1.00 0.00 H new ATOM 1738 N PRO A 112 -31.662 7.889 -47.572 1.00 0.00 N ATOM 1739 CA PRO A 112 -31.009 7.178 -48.670 1.00 0.00 C ATOM 1740 C PRO A 112 -31.181 7.918 -49.996 1.00 0.00 C ATOM 1741 O PRO A 112 -30.453 7.681 -50.940 1.00 0.00 O ATOM 1742 CB PRO A 112 -31.730 5.816 -48.746 1.00 0.00 C ATOM 1743 CG PRO A 112 -32.871 5.833 -47.683 1.00 0.00 C ATOM 1744 CD PRO A 112 -32.822 7.201 -46.983 1.00 0.00 C ATOM 0 HA PRO A 112 -29.937 7.086 -48.497 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -32.137 5.652 -49.744 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -31.033 5.001 -48.548 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -33.840 5.678 -48.157 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -32.736 5.027 -46.962 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -33.741 7.763 -47.150 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -32.709 7.089 -45.905 1.00 0.00 H new ATOM 1752 N ALA A 113 -32.143 8.800 -50.043 1.00 0.00 N ATOM 1753 CA ALA A 113 -32.371 9.560 -51.298 1.00 0.00 C ATOM 1754 C ALA A 113 -32.590 8.610 -52.474 1.00 0.00 C ATOM 1755 O ALA A 113 -31.823 8.587 -53.417 1.00 0.00 O ATOM 1756 CB ALA A 113 -31.123 10.412 -51.579 1.00 0.00 C ATOM 0 H ALA A 113 -32.774 9.023 -49.273 1.00 0.00 H new ATOM 0 HA ALA A 113 -33.257 10.184 -51.182 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -31.269 10.979 -52.498 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -30.958 11.100 -50.750 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -30.255 9.761 -51.688 1.00 0.00 H new