USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 30 THR OG1 : rot 180:sc= -0.0327 USER MOD Set 1.2: A 33 GLN : amide:sc= 0 X(o=-0.033,f=-0.033) USER MOD Single : A 17 THR OG1 : rot 63:sc= 0.315 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -5.52! K(o=-5.5!,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.0366 (180deg=-1.18) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-6.2!) USER MOD Single : A 50 ASN : amide:sc= -0.0723 X(o=-0.072,f=0.027) USER MOD Single : A 51 SER OG : rot 39:sc= 0.776 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 66:sc= 0.00865 USER MOD Single : A 64 SER OG : rot -87:sc= 1.01 USER MOD Single : A 65 GLN : amide:sc= -0.0266 K(o=-0.027,f=-1.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.934 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N ARG A 16 3.542 13.676 -0.385 1.00 0.00 N ATOM 168 CA ARG A 16 4.630 12.910 -0.980 1.00 0.00 C ATOM 169 C ARG A 16 5.052 11.764 -0.065 1.00 0.00 C ATOM 170 O ARG A 16 5.431 10.689 -0.532 1.00 0.00 O ATOM 171 CB ARG A 16 5.828 13.819 -1.261 1.00 0.00 C ATOM 172 CG ARG A 16 7.018 13.090 -1.864 1.00 0.00 C ATOM 173 CD ARG A 16 7.830 14.003 -2.769 1.00 0.00 C ATOM 174 NE ARG A 16 7.235 14.127 -4.097 1.00 0.00 N ATOM 175 CZ ARG A 16 7.926 14.451 -5.184 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.229 14.682 -5.102 1.00 0.00 N ATOM 177 NH2 ARG A 16 7.314 14.544 -6.358 1.00 0.00 N ATOM 0 HA ARG A 16 4.273 12.489 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.519 14.614 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.138 14.295 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.654 12.707 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.668 12.229 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.907 14.990 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.844 13.614 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 16 6.234 13.955 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.704 14.611 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.757 14.931 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.312 14.367 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.846 14.793 -7.192 1.00 0.00 H new ATOM 191 N THR A 17 4.983 12.000 1.241 1.00 0.00 N ATOM 192 CA THR A 17 5.358 10.989 2.221 1.00 0.00 C ATOM 193 C THR A 17 4.134 10.452 2.953 1.00 0.00 C ATOM 194 O THR A 17 4.087 10.446 4.183 1.00 0.00 O ATOM 195 CB THR A 17 6.354 11.550 3.254 1.00 0.00 C ATOM 196 OG1 THR A 17 5.751 12.626 3.981 1.00 0.00 O ATOM 197 CG2 THR A 17 7.622 12.041 2.571 1.00 0.00 C ATOM 0 H THR A 17 4.671 12.883 1.645 1.00 0.00 H new ATOM 0 HA THR A 17 5.834 10.177 1.671 1.00 0.00 H new ATOM 0 HB THR A 17 6.618 10.749 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.980 12.290 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.310 12.433 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.094 11.213 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.371 12.829 1.861 1.00 0.00 H new ATOM 205 N ALA A 18 3.145 9.999 2.190 1.00 0.00 N ATOM 206 CA ALA A 18 1.921 9.456 2.766 1.00 0.00 C ATOM 207 C ALA A 18 1.938 7.932 2.755 1.00 0.00 C ATOM 208 O ALA A 18 1.814 7.291 3.800 1.00 0.00 O ATOM 209 CB ALA A 18 0.707 9.978 2.014 1.00 0.00 C ATOM 0 H ALA A 18 3.168 9.997 1.170 1.00 0.00 H new ATOM 0 HA ALA A 18 1.860 9.785 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.200 9.564 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.679 11.066 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.771 9.679 0.968 1.00 0.00 H new ATOM 215 N LEU A 19 2.092 7.355 1.568 1.00 0.00 N ATOM 216 CA LEU A 19 2.124 5.904 1.421 1.00 0.00 C ATOM 217 C LEU A 19 3.004 5.268 2.493 1.00 0.00 C ATOM 218 O LEU A 19 2.802 4.113 2.870 1.00 0.00 O ATOM 219 CB LEU A 19 2.639 5.524 0.031 1.00 0.00 C ATOM 220 CG LEU A 19 2.158 6.402 -1.125 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.567 5.797 -2.459 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.650 6.589 -1.062 1.00 0.00 C ATOM 0 H LEU A 19 2.197 7.870 0.694 1.00 0.00 H new ATOM 0 HA LEU A 19 1.108 5.528 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.729 5.547 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.346 4.494 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 19 2.629 7.381 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.217 6.435 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.653 5.716 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.125 4.806 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.326 7.216 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.160 5.618 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.382 7.067 -0.120 1.00 0.00 H new ATOM 234 N TYR A 20 3.977 6.028 2.980 1.00 0.00 N ATOM 235 CA TYR A 20 4.888 5.539 4.008 1.00 0.00 C ATOM 236 C TYR A 20 4.258 5.655 5.393 1.00 0.00 C ATOM 237 O TYR A 20 4.444 4.787 6.246 1.00 0.00 O ATOM 238 CB TYR A 20 6.204 6.318 3.967 1.00 0.00 C ATOM 239 CG TYR A 20 6.877 6.297 2.614 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.422 7.101 1.576 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.971 5.474 2.373 1.00 0.00 C ATOM 242 CE1 TYR A 20 7.034 7.084 0.338 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.590 5.452 1.138 1.00 0.00 C ATOM 244 CZ TYR A 20 8.118 6.258 0.124 1.00 0.00 C ATOM 245 OH TYR A 20 8.731 6.240 -1.108 1.00 0.00 O ATOM 0 H TYR A 20 4.156 6.986 2.680 1.00 0.00 H new ATOM 0 HA TYR A 20 5.091 4.487 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.013 7.352 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.886 5.903 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.575 7.751 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.344 4.841 3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.666 7.714 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.439 4.807 0.968 1.00 0.00 H new ATOM 0 HH TYR A 20 9.478 5.606 -1.092 1.00 0.00 H new ATOM 255 N ASP A 21 3.513 6.733 5.608 1.00 0.00 N ATOM 256 CA ASP A 21 2.854 6.963 6.889 1.00 0.00 C ATOM 257 C ASP A 21 1.773 5.916 7.140 1.00 0.00 C ATOM 258 O ASP A 21 1.704 5.327 8.220 1.00 0.00 O ATOM 259 CB ASP A 21 2.241 8.364 6.926 1.00 0.00 C ATOM 260 CG ASP A 21 1.278 8.545 8.083 1.00 0.00 C ATOM 261 OD1 ASP A 21 0.176 7.959 8.034 1.00 0.00 O ATOM 262 OD2 ASP A 21 1.626 9.271 9.037 1.00 0.00 O ATOM 0 H ASP A 21 3.350 7.461 4.913 1.00 0.00 H new ATOM 0 HA ASP A 21 3.604 6.881 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.038 9.104 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.718 8.553 5.989 1.00 0.00 H new ATOM 267 N LEU A 22 0.933 5.688 6.137 1.00 0.00 N ATOM 268 CA LEU A 22 -0.146 4.712 6.249 1.00 0.00 C ATOM 269 C LEU A 22 0.353 3.422 6.892 1.00 0.00 C ATOM 270 O LEU A 22 -0.214 2.947 7.878 1.00 0.00 O ATOM 271 CB LEU A 22 -0.735 4.413 4.870 1.00 0.00 C ATOM 272 CG LEU A 22 -1.665 5.481 4.292 1.00 0.00 C ATOM 273 CD1 LEU A 22 -0.860 6.585 3.623 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.643 4.859 3.306 1.00 0.00 C ATOM 0 H LEU A 22 0.978 6.165 5.237 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.923 5.137 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.087 4.259 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.285 3.473 4.928 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.235 5.921 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.539 7.336 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.201 7.050 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.263 6.162 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.297 5.633 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.090 4.392 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.243 4.105 3.815 1.00 0.00 H new ATOM 286 N LEU A 23 1.417 2.859 6.329 1.00 0.00 N ATOM 287 CA LEU A 23 1.994 1.624 6.849 1.00 0.00 C ATOM 288 C LEU A 23 2.831 1.896 8.095 1.00 0.00 C ATOM 289 O LEU A 23 2.841 1.101 9.034 1.00 0.00 O ATOM 290 CB LEU A 23 2.856 0.952 5.779 1.00 0.00 C ATOM 291 CG LEU A 23 2.129 -0.012 4.840 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.978 0.693 4.138 1.00 0.00 C ATOM 293 CD2 LEU A 23 3.098 -0.598 3.823 1.00 0.00 C ATOM 0 H LEU A 23 1.897 3.238 5.513 1.00 0.00 H new ATOM 0 HA LEU A 23 1.177 0.956 7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.325 1.730 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.658 0.407 6.276 1.00 0.00 H new ATOM 0 HG LEU A 23 1.719 -0.829 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.472 -0.008 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.271 1.064 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.365 1.529 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.564 -1.282 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.537 0.207 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.888 -1.139 4.343 1.00 0.00 H new ATOM 305 N GLY A 24 3.531 3.027 8.097 1.00 0.00 N ATOM 306 CA GLY A 24 4.359 3.385 9.233 1.00 0.00 C ATOM 307 C GLY A 24 5.814 3.014 9.029 1.00 0.00 C ATOM 308 O GLY A 24 6.515 2.672 9.982 1.00 0.00 O ATOM 0 H GLY A 24 3.539 3.701 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.282 4.458 9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.982 2.886 10.126 1.00 0.00 H new ATOM 312 N VAL A 25 6.272 3.079 7.783 1.00 0.00 N ATOM 313 CA VAL A 25 7.653 2.747 7.457 1.00 0.00 C ATOM 314 C VAL A 25 8.441 3.993 7.068 1.00 0.00 C ATOM 315 O VAL A 25 7.894 4.966 6.548 1.00 0.00 O ATOM 316 CB VAL A 25 7.728 1.726 6.306 1.00 0.00 C ATOM 317 CG1 VAL A 25 6.976 0.455 6.670 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.181 2.329 5.022 1.00 0.00 C ATOM 0 H VAL A 25 5.706 3.359 6.982 1.00 0.00 H new ATOM 0 HA VAL A 25 8.092 2.307 8.352 1.00 0.00 H new ATOM 0 HB VAL A 25 8.774 1.467 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.040 -0.255 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.418 0.014 7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.930 0.694 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.242 1.594 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.141 2.619 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.768 3.208 4.754 1.00 0.00 H new ATOM 328 N PRO A 26 9.757 3.964 7.323 1.00 0.00 N ATOM 329 CA PRO A 26 10.650 5.084 7.006 1.00 0.00 C ATOM 330 C PRO A 26 10.845 5.262 5.505 1.00 0.00 C ATOM 331 O PRO A 26 10.437 4.414 4.711 1.00 0.00 O ATOM 332 CB PRO A 26 11.968 4.686 7.674 1.00 0.00 C ATOM 333 CG PRO A 26 11.923 3.198 7.746 1.00 0.00 C ATOM 334 CD PRO A 26 10.476 2.837 7.940 1.00 0.00 C ATOM 0 HA PRO A 26 10.250 6.036 7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.825 5.028 7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.058 5.128 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.318 2.751 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.532 2.829 8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.230 1.891 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.226 2.731 8.996 1.00 0.00 H new ATOM 342 N SER A 27 11.473 6.369 5.122 1.00 0.00 N ATOM 343 CA SER A 27 11.720 6.660 3.714 1.00 0.00 C ATOM 344 C SER A 27 12.708 5.662 3.119 1.00 0.00 C ATOM 345 O SER A 27 12.749 5.459 1.905 1.00 0.00 O ATOM 346 CB SER A 27 12.255 8.084 3.552 1.00 0.00 C ATOM 347 OG SER A 27 13.496 8.241 4.218 1.00 0.00 O ATOM 0 H SER A 27 11.820 7.079 5.767 1.00 0.00 H new ATOM 0 HA SER A 27 10.775 6.572 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.376 8.312 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.532 8.795 3.951 1.00 0.00 H new ATOM 0 HG SER A 27 13.818 9.159 4.098 1.00 0.00 H new ATOM 353 N THR A 28 13.506 5.041 3.983 1.00 0.00 N ATOM 354 CA THR A 28 14.495 4.065 3.544 1.00 0.00 C ATOM 355 C THR A 28 14.126 2.661 4.007 1.00 0.00 C ATOM 356 O THR A 28 14.989 1.794 4.141 1.00 0.00 O ATOM 357 CB THR A 28 15.900 4.414 4.070 1.00 0.00 C ATOM 358 OG1 THR A 28 15.926 4.315 5.499 1.00 0.00 O ATOM 359 CG2 THR A 28 16.303 5.819 3.647 1.00 0.00 C ATOM 0 H THR A 28 13.486 5.197 4.991 1.00 0.00 H new ATOM 0 HA THR A 28 14.505 4.094 2.454 1.00 0.00 H new ATOM 0 HB THR A 28 16.610 3.706 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.823 4.537 5.826 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.299 6.043 4.030 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.310 5.883 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.590 6.539 4.049 1.00 0.00 H new ATOM 367 N ALA A 29 12.837 2.443 4.251 1.00 0.00 N ATOM 368 CA ALA A 29 12.353 1.142 4.697 1.00 0.00 C ATOM 369 C ALA A 29 12.753 0.043 3.718 1.00 0.00 C ATOM 370 O ALA A 29 13.131 0.318 2.579 1.00 0.00 O ATOM 371 CB ALA A 29 10.842 1.173 4.871 1.00 0.00 C ATOM 0 H ALA A 29 12.110 3.151 4.147 1.00 0.00 H new ATOM 0 HA ALA A 29 12.814 0.920 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.494 0.195 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.577 1.925 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.371 1.421 3.920 1.00 0.00 H new ATOM 377 N THR A 30 12.667 -1.205 4.169 1.00 0.00 N ATOM 378 CA THR A 30 13.021 -2.345 3.334 1.00 0.00 C ATOM 379 C THR A 30 11.787 -3.163 2.968 1.00 0.00 C ATOM 380 O THR A 30 10.737 -3.032 3.596 1.00 0.00 O ATOM 381 CB THR A 30 14.040 -3.262 4.038 1.00 0.00 C ATOM 382 OG1 THR A 30 13.425 -3.909 5.157 1.00 0.00 O ATOM 383 CG2 THR A 30 15.249 -2.467 4.506 1.00 0.00 C ATOM 0 H THR A 30 12.355 -1.451 5.108 1.00 0.00 H new ATOM 0 HA THR A 30 13.470 -1.944 2.426 1.00 0.00 H new ATOM 0 HB THR A 30 14.374 -4.014 3.323 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.078 -4.491 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.955 -3.135 5.000 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.732 -2.000 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.928 -1.696 5.206 1.00 0.00 H new ATOM 391 N GLN A 31 11.923 -4.005 1.949 1.00 0.00 N ATOM 392 CA GLN A 31 10.817 -4.844 1.501 1.00 0.00 C ATOM 393 C GLN A 31 10.299 -5.716 2.639 1.00 0.00 C ATOM 394 O GLN A 31 9.140 -6.131 2.638 1.00 0.00 O ATOM 395 CB GLN A 31 11.259 -5.723 0.329 1.00 0.00 C ATOM 396 CG GLN A 31 12.298 -6.766 0.710 1.00 0.00 C ATOM 397 CD GLN A 31 13.714 -6.226 0.656 1.00 0.00 C ATOM 398 OE1 GLN A 31 14.413 -6.381 -0.345 1.00 0.00 O ATOM 399 NE2 GLN A 31 14.145 -5.586 1.737 1.00 0.00 N ATOM 0 H GLN A 31 12.786 -4.125 1.419 1.00 0.00 H new ATOM 0 HA GLN A 31 10.009 -4.191 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.386 -6.226 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.665 -5.088 -0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.090 -7.130 1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.213 -7.620 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.532 -5.480 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.089 -5.200 1.759 1.00 0.00 H new ATOM 408 N ALA A 32 11.165 -5.991 3.609 1.00 0.00 N ATOM 409 CA ALA A 32 10.794 -6.813 4.754 1.00 0.00 C ATOM 410 C ALA A 32 9.835 -6.068 5.676 1.00 0.00 C ATOM 411 O ALA A 32 8.954 -6.672 6.288 1.00 0.00 O ATOM 412 CB ALA A 32 12.036 -7.244 5.519 1.00 0.00 C ATOM 0 H ALA A 32 12.128 -5.656 3.625 1.00 0.00 H new ATOM 0 HA ALA A 32 10.283 -7.701 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.744 -7.857 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.686 -7.822 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.570 -6.362 5.873 1.00 0.00 H new ATOM 418 N GLN A 33 10.012 -4.755 5.771 1.00 0.00 N ATOM 419 CA GLN A 33 9.162 -3.929 6.620 1.00 0.00 C ATOM 420 C GLN A 33 7.894 -3.514 5.882 1.00 0.00 C ATOM 421 O GLN A 33 6.782 -3.769 6.347 1.00 0.00 O ATOM 422 CB GLN A 33 9.924 -2.687 7.087 1.00 0.00 C ATOM 423 CG GLN A 33 11.227 -3.006 7.803 1.00 0.00 C ATOM 424 CD GLN A 33 11.916 -1.767 8.340 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.346 -1.022 9.138 1.00 0.00 O ATOM 426 NE2 GLN A 33 13.150 -1.539 7.904 1.00 0.00 N ATOM 0 H GLN A 33 10.736 -4.240 5.271 1.00 0.00 H new ATOM 0 HA GLN A 33 8.877 -4.520 7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.138 -2.057 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.285 -2.108 7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.026 -3.691 8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.898 -3.521 7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.584 -2.183 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.663 -0.720 8.231 1.00 0.00 H new ATOM 435 N ILE A 34 8.068 -2.874 4.731 1.00 0.00 N ATOM 436 CA ILE A 34 6.937 -2.424 3.929 1.00 0.00 C ATOM 437 C ILE A 34 5.870 -3.510 3.826 1.00 0.00 C ATOM 438 O ILE A 34 4.674 -3.219 3.788 1.00 0.00 O ATOM 439 CB ILE A 34 7.378 -2.018 2.510 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.391 -0.874 2.576 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.172 -1.618 1.674 1.00 0.00 C ATOM 442 CD1 ILE A 34 9.053 -0.575 1.249 1.00 0.00 C ATOM 0 H ILE A 34 8.981 -2.655 4.333 1.00 0.00 H new ATOM 0 HA ILE A 34 6.519 -1.553 4.434 1.00 0.00 H new ATOM 0 HB ILE A 34 7.856 -2.875 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.889 0.025 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.159 -1.122 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.500 -1.334 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.483 -2.459 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.668 -0.774 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.759 0.247 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.584 -1.460 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.294 -0.296 0.518 1.00 0.00 H new ATOM 454 N LYS A 35 6.311 -4.762 3.783 1.00 0.00 N ATOM 455 CA LYS A 35 5.396 -5.893 3.688 1.00 0.00 C ATOM 456 C LYS A 35 4.706 -6.149 5.024 1.00 0.00 C ATOM 457 O LYS A 35 3.482 -6.256 5.091 1.00 0.00 O ATOM 458 CB LYS A 35 6.148 -7.149 3.242 1.00 0.00 C ATOM 459 CG LYS A 35 5.239 -8.328 2.940 1.00 0.00 C ATOM 460 CD LYS A 35 6.007 -9.639 2.945 1.00 0.00 C ATOM 461 CE LYS A 35 6.587 -9.950 1.574 1.00 0.00 C ATOM 462 NZ LYS A 35 7.782 -9.113 1.274 1.00 0.00 N ATOM 0 H LYS A 35 7.298 -5.020 3.812 1.00 0.00 H new ATOM 0 HA LYS A 35 4.635 -5.650 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.733 -6.915 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.854 -7.436 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.439 -8.371 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.767 -8.185 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.812 -9.588 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.345 -10.448 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.861 -11.004 1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.826 -9.783 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.425 -9.638 0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.482 -8.235 0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.274 -8.881 2.160 1.00 0.00 H new ATOM 476 N ALA A 36 5.499 -6.243 6.086 1.00 0.00 N ATOM 477 CA ALA A 36 4.964 -6.482 7.421 1.00 0.00 C ATOM 478 C ALA A 36 3.930 -5.426 7.795 1.00 0.00 C ATOM 479 O ALA A 36 2.914 -5.732 8.417 1.00 0.00 O ATOM 480 CB ALA A 36 6.090 -6.507 8.444 1.00 0.00 C ATOM 0 H ALA A 36 6.515 -6.157 6.048 1.00 0.00 H new ATOM 0 HA ALA A 36 4.469 -7.453 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.676 -6.686 9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.791 -7.303 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.611 -5.549 8.436 1.00 0.00 H new ATOM 486 N ALA A 37 4.198 -4.182 7.412 1.00 0.00 N ATOM 487 CA ALA A 37 3.289 -3.080 7.707 1.00 0.00 C ATOM 488 C ALA A 37 1.961 -3.254 6.979 1.00 0.00 C ATOM 489 O ALA A 37 0.895 -3.213 7.593 1.00 0.00 O ATOM 490 CB ALA A 37 3.930 -1.753 7.330 1.00 0.00 C ATOM 0 H ALA A 37 5.036 -3.912 6.897 1.00 0.00 H new ATOM 0 HA ALA A 37 3.089 -3.083 8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.241 -0.939 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.849 -1.618 7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.160 -1.750 6.264 1.00 0.00 H new ATOM 496 N TYR A 38 2.032 -3.449 5.667 1.00 0.00 N ATOM 497 CA TYR A 38 0.834 -3.626 4.854 1.00 0.00 C ATOM 498 C TYR A 38 -0.058 -4.722 5.431 1.00 0.00 C ATOM 499 O TYR A 38 -1.216 -4.480 5.770 1.00 0.00 O ATOM 500 CB TYR A 38 1.216 -3.970 3.414 1.00 0.00 C ATOM 501 CG TYR A 38 0.087 -4.587 2.619 1.00 0.00 C ATOM 502 CD1 TYR A 38 -0.983 -3.816 2.182 1.00 0.00 C ATOM 503 CD2 TYR A 38 0.091 -5.940 2.306 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.017 -4.375 1.456 1.00 0.00 C ATOM 505 CE2 TYR A 38 -0.938 -6.508 1.579 1.00 0.00 C ATOM 506 CZ TYR A 38 -1.989 -5.722 1.157 1.00 0.00 C ATOM 507 OH TYR A 38 -3.017 -6.284 0.434 1.00 0.00 O ATOM 0 H TYR A 38 2.906 -3.489 5.143 1.00 0.00 H new ATOM 0 HA TYR A 38 0.278 -2.688 4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.552 -3.064 2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.060 -4.659 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.007 -2.761 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.912 -6.559 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.842 -3.762 1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.919 -7.562 1.343 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.844 -7.240 0.309 1.00 0.00 H new ATOM 517 N TYR A 39 0.491 -5.926 5.539 1.00 0.00 N ATOM 518 CA TYR A 39 -0.254 -7.061 6.072 1.00 0.00 C ATOM 519 C TYR A 39 -1.026 -6.664 7.327 1.00 0.00 C ATOM 520 O TYR A 39 -2.197 -7.012 7.485 1.00 0.00 O ATOM 521 CB TYR A 39 0.695 -8.217 6.389 1.00 0.00 C ATOM 522 CG TYR A 39 0.902 -9.166 5.231 1.00 0.00 C ATOM 523 CD1 TYR A 39 -0.159 -9.897 4.708 1.00 0.00 C ATOM 524 CD2 TYR A 39 2.157 -9.334 4.659 1.00 0.00 C ATOM 525 CE1 TYR A 39 0.025 -10.766 3.650 1.00 0.00 C ATOM 526 CE2 TYR A 39 2.350 -10.199 3.600 1.00 0.00 C ATOM 527 CZ TYR A 39 1.281 -10.913 3.099 1.00 0.00 C ATOM 528 OH TYR A 39 1.469 -11.777 2.045 1.00 0.00 O ATOM 0 H TYR A 39 1.449 -6.142 5.265 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.968 -7.383 5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.660 -7.811 6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.303 -8.775 7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.144 -9.783 5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.997 -8.778 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.810 -11.327 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.332 -10.316 3.166 1.00 0.00 H new ATOM 0 HH TYR A 39 2.411 -11.762 1.774 1.00 0.00 H new ATOM 538 N ARG A 40 -0.363 -5.932 8.215 1.00 0.00 N ATOM 539 CA ARG A 40 -0.986 -5.487 9.456 1.00 0.00 C ATOM 540 C ARG A 40 -2.195 -4.601 9.171 1.00 0.00 C ATOM 541 O ARG A 40 -3.256 -4.772 9.770 1.00 0.00 O ATOM 542 CB ARG A 40 0.026 -4.726 10.315 1.00 0.00 C ATOM 543 CG ARG A 40 1.056 -5.623 10.981 1.00 0.00 C ATOM 544 CD ARG A 40 1.922 -4.845 11.960 1.00 0.00 C ATOM 545 NE ARG A 40 1.220 -4.563 13.209 1.00 0.00 N ATOM 546 CZ ARG A 40 1.139 -5.424 14.217 1.00 0.00 C ATOM 547 NH1 ARG A 40 1.715 -6.614 14.124 1.00 0.00 N ATOM 548 NH2 ARG A 40 0.482 -5.094 15.322 1.00 0.00 N ATOM 0 H ARG A 40 0.606 -5.634 8.099 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.324 -6.369 10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.542 -3.995 9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.509 -4.169 11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.550 -6.433 11.506 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.687 -6.082 10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.827 -5.413 12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.235 -3.907 11.501 1.00 0.00 H new ATOM 0 HE ARG A 40 0.767 -3.655 13.313 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.222 -6.870 13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.651 -7.273 14.900 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.039 -4.178 15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.420 -5.756 16.096 1.00 0.00 H new ATOM 562 N GLN A 41 -2.026 -3.655 8.253 1.00 0.00 N ATOM 563 CA GLN A 41 -3.103 -2.743 7.889 1.00 0.00 C ATOM 564 C GLN A 41 -4.411 -3.499 7.683 1.00 0.00 C ATOM 565 O GLN A 41 -5.443 -3.141 8.252 1.00 0.00 O ATOM 566 CB GLN A 41 -2.740 -1.972 6.619 1.00 0.00 C ATOM 567 CG GLN A 41 -1.468 -1.150 6.748 1.00 0.00 C ATOM 568 CD GLN A 41 -1.473 -0.255 7.972 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.248 0.698 8.055 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.606 -0.558 8.931 1.00 0.00 N ATOM 0 H GLN A 41 -1.153 -3.500 7.748 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.239 -2.037 8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.625 -2.678 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.565 -1.310 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.610 -1.821 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.344 -0.537 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.018 -1.357 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.564 0.008 9.778 1.00 0.00 H new ATOM 579 N CYS A 42 -4.361 -4.545 6.866 1.00 0.00 N ATOM 580 CA CYS A 42 -5.543 -5.352 6.583 1.00 0.00 C ATOM 581 C CYS A 42 -6.144 -5.905 7.871 1.00 0.00 C ATOM 582 O CYS A 42 -7.342 -5.768 8.119 1.00 0.00 O ATOM 583 CB CYS A 42 -5.188 -6.500 5.637 1.00 0.00 C ATOM 584 SG CYS A 42 -6.548 -7.651 5.330 1.00 0.00 S ATOM 0 H CYS A 42 -3.515 -4.854 6.388 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.284 -4.712 6.103 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.857 -6.083 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.346 -7.052 6.053 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.151 -8.585 4.517 1.00 0.00 H new ATOM 590 N PHE A 43 -5.304 -6.533 8.688 1.00 0.00 N ATOM 591 CA PHE A 43 -5.753 -7.110 9.950 1.00 0.00 C ATOM 592 C PHE A 43 -6.496 -6.074 10.788 1.00 0.00 C ATOM 593 O PHE A 43 -7.610 -6.319 11.254 1.00 0.00 O ATOM 594 CB PHE A 43 -4.561 -7.659 10.736 1.00 0.00 C ATOM 595 CG PHE A 43 -4.909 -8.082 12.135 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.839 -9.085 12.357 1.00 0.00 C ATOM 597 CD2 PHE A 43 -4.306 -7.479 13.226 1.00 0.00 C ATOM 598 CE1 PHE A 43 -6.162 -9.476 13.643 1.00 0.00 C ATOM 599 CE2 PHE A 43 -4.625 -7.866 14.514 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.553 -8.867 14.723 1.00 0.00 C ATOM 0 H PHE A 43 -4.309 -6.655 8.499 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.438 -7.927 9.724 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.144 -8.512 10.200 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.782 -6.898 10.778 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.317 -9.566 11.516 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.578 -6.697 13.069 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.890 -10.257 13.803 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.149 -7.386 15.356 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.802 -9.173 15.728 1.00 0.00 H new ATOM 610 N LEU A 44 -5.873 -4.916 10.975 1.00 0.00 N ATOM 611 CA LEU A 44 -6.474 -3.841 11.758 1.00 0.00 C ATOM 612 C LEU A 44 -7.859 -3.490 11.226 1.00 0.00 C ATOM 613 O LEU A 44 -8.807 -3.324 11.995 1.00 0.00 O ATOM 614 CB LEU A 44 -5.576 -2.603 11.733 1.00 0.00 C ATOM 615 CG LEU A 44 -4.197 -2.760 12.375 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.189 -1.837 11.709 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.270 -2.483 13.870 1.00 0.00 C ATOM 0 H LEU A 44 -4.952 -4.697 10.595 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.577 -4.187 12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.439 -2.299 10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.099 -1.790 12.237 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.866 -3.789 12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.214 -1.963 12.179 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.115 -2.083 10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.514 -0.803 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.280 -2.599 14.310 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.623 -1.465 14.035 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.960 -3.186 14.337 1.00 0.00 H new ATOM 629 N TYR A 45 -7.970 -3.380 9.907 1.00 0.00 N ATOM 630 CA TYR A 45 -9.240 -3.048 9.272 1.00 0.00 C ATOM 631 C TYR A 45 -9.809 -4.253 8.528 1.00 0.00 C ATOM 632 O TYR A 45 -10.313 -4.127 7.411 1.00 0.00 O ATOM 633 CB TYR A 45 -9.060 -1.876 8.305 1.00 0.00 C ATOM 634 CG TYR A 45 -8.746 -0.567 8.993 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.658 -0.453 9.849 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.537 0.557 8.785 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.368 0.741 10.480 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.253 1.756 9.411 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.168 1.843 10.258 1.00 0.00 C ATOM 640 OH TYR A 45 -7.881 3.034 10.883 1.00 0.00 O ATOM 0 H TYR A 45 -7.196 -3.516 9.257 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.944 -2.761 10.054 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.257 -2.112 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.970 -1.758 7.716 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.028 -1.313 10.024 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.388 0.492 8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.519 0.812 11.144 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.877 2.620 9.238 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.540 3.709 10.619 1.00 0.00 H new ATOM 650 N HIS A 46 -9.724 -5.421 9.156 1.00 0.00 N ATOM 651 CA HIS A 46 -10.231 -6.650 8.555 1.00 0.00 C ATOM 652 C HIS A 46 -11.580 -6.411 7.884 1.00 0.00 C ATOM 653 O HIS A 46 -12.432 -5.680 8.391 1.00 0.00 O ATOM 654 CB HIS A 46 -10.362 -7.744 9.615 1.00 0.00 C ATOM 655 CG HIS A 46 -10.168 -9.128 9.075 1.00 0.00 C ATOM 656 ND1 HIS A 46 -11.203 -9.900 8.594 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.048 -9.876 8.941 1.00 0.00 C ATOM 658 CE1 HIS A 46 -10.729 -11.065 8.188 1.00 0.00 C ATOM 659 NE2 HIS A 46 -9.424 -11.075 8.387 1.00 0.00 N ATOM 0 H HIS A 46 -9.309 -5.543 10.080 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.520 -6.974 7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.630 -7.564 10.403 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.348 -7.677 10.074 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.046 -9.584 9.218 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -11.310 -11.871 7.765 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.797 -11.848 8.165 1.00 0.00 H new ATOM 667 N PRO A 47 -11.781 -7.039 6.717 1.00 0.00 N ATOM 668 CA PRO A 47 -13.025 -6.910 5.951 1.00 0.00 C ATOM 669 C PRO A 47 -14.201 -7.597 6.636 1.00 0.00 C ATOM 670 O PRO A 47 -15.329 -7.552 6.146 1.00 0.00 O ATOM 671 CB PRO A 47 -12.699 -7.602 4.625 1.00 0.00 C ATOM 672 CG PRO A 47 -11.615 -8.568 4.959 1.00 0.00 C ATOM 673 CD PRO A 47 -10.810 -7.926 6.054 1.00 0.00 C ATOM 0 HA PRO A 47 -13.329 -5.869 5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.573 -8.112 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.372 -6.884 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.029 -9.521 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.994 -8.774 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.407 -8.667 6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.963 -7.368 5.655 1.00 0.00 H new ATOM 681 N ASP A 48 -13.930 -8.233 7.771 1.00 0.00 N ATOM 682 CA ASP A 48 -14.967 -8.929 8.524 1.00 0.00 C ATOM 683 C ASP A 48 -15.512 -8.045 9.642 1.00 0.00 C ATOM 684 O ASP A 48 -16.709 -7.760 9.693 1.00 0.00 O ATOM 685 CB ASP A 48 -14.416 -10.230 9.109 1.00 0.00 C ATOM 686 CG ASP A 48 -15.514 -11.191 9.520 1.00 0.00 C ATOM 687 OD1 ASP A 48 -15.941 -12.002 8.672 1.00 0.00 O ATOM 688 OD2 ASP A 48 -15.946 -11.131 10.690 1.00 0.00 O ATOM 0 H ASP A 48 -13.001 -8.281 8.190 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.783 -9.164 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.772 -10.712 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.795 -10.001 9.975 1.00 0.00 H new ATOM 693 N ARG A 49 -14.627 -7.616 10.535 1.00 0.00 N ATOM 694 CA ARG A 49 -15.021 -6.767 11.653 1.00 0.00 C ATOM 695 C ARG A 49 -15.900 -5.614 11.178 1.00 0.00 C ATOM 696 O ARG A 49 -17.034 -5.460 11.628 1.00 0.00 O ATOM 697 CB ARG A 49 -13.783 -6.218 12.365 1.00 0.00 C ATOM 698 CG ARG A 49 -13.999 -5.952 13.846 1.00 0.00 C ATOM 699 CD ARG A 49 -14.763 -4.657 14.073 1.00 0.00 C ATOM 700 NE ARG A 49 -16.208 -4.866 14.068 1.00 0.00 N ATOM 701 CZ ARG A 49 -17.094 -3.878 14.005 1.00 0.00 C ATOM 702 NH1 ARG A 49 -16.683 -2.619 13.941 1.00 0.00 N ATOM 703 NH2 ARG A 49 -18.393 -4.148 14.004 1.00 0.00 N ATOM 0 H ARG A 49 -13.633 -7.842 10.506 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.595 -7.375 12.352 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.963 -6.926 12.248 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.476 -5.292 11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.548 -6.782 14.290 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.035 -5.901 14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.463 -4.222 15.026 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.498 -3.939 13.297 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.557 -5.823 14.115 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.685 -2.408 13.940 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.365 -1.862 13.893 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.713 -5.115 14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.072 -3.388 13.956 1.00 0.00 H new ATOM 717 N ASN A 50 -15.367 -4.808 10.265 1.00 0.00 N ATOM 718 CA ASN A 50 -16.103 -3.668 9.729 1.00 0.00 C ATOM 719 C ASN A 50 -17.180 -4.128 8.751 1.00 0.00 C ATOM 720 O ASN A 50 -16.917 -4.311 7.563 1.00 0.00 O ATOM 721 CB ASN A 50 -15.146 -2.699 9.033 1.00 0.00 C ATOM 722 CG ASN A 50 -13.955 -2.340 9.900 1.00 0.00 C ATOM 723 OD1 ASN A 50 -13.954 -1.313 10.579 1.00 0.00 O ATOM 724 ND2 ASN A 50 -12.932 -3.187 9.879 1.00 0.00 N ATOM 0 H ASN A 50 -14.429 -4.923 9.881 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.587 -3.155 10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.794 -3.146 8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.685 -1.790 8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.102 -2.998 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.977 -4.026 9.301 1.00 0.00 H new ATOM 731 N SER A 51 -18.394 -4.311 9.260 1.00 0.00 N ATOM 732 CA SER A 51 -19.511 -4.752 8.433 1.00 0.00 C ATOM 733 C SER A 51 -20.173 -3.567 7.737 1.00 0.00 C ATOM 734 O SER A 51 -20.963 -2.841 8.338 1.00 0.00 O ATOM 735 CB SER A 51 -20.541 -5.497 9.285 1.00 0.00 C ATOM 736 OG SER A 51 -21.034 -4.673 10.326 1.00 0.00 O ATOM 0 H SER A 51 -18.629 -4.161 10.241 1.00 0.00 H new ATOM 0 HA SER A 51 -19.122 -5.428 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 51 -21.368 -5.827 8.656 1.00 0.00 H new ATOM 0 HB3 SER A 51 -20.087 -6.392 9.710 1.00 0.00 H new ATOM 0 HG SER A 51 -21.157 -3.761 9.990 1.00 0.00 H new ATOM 742 N GLY A 52 -19.843 -3.377 6.463 1.00 0.00 N ATOM 743 CA GLY A 52 -20.412 -2.279 5.704 1.00 0.00 C ATOM 744 C GLY A 52 -20.195 -0.937 6.375 1.00 0.00 C ATOM 745 O GLY A 52 -21.139 -0.326 6.877 1.00 0.00 O ATOM 0 H GLY A 52 -19.191 -3.965 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -19.968 -2.260 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.481 -2.448 5.573 1.00 0.00 H new ATOM 749 N SER A 53 -18.948 -0.477 6.385 1.00 0.00 N ATOM 750 CA SER A 53 -18.609 0.799 7.004 1.00 0.00 C ATOM 751 C SER A 53 -18.407 1.879 5.945 1.00 0.00 C ATOM 752 O SER A 53 -17.886 1.613 4.862 1.00 0.00 O ATOM 753 CB SER A 53 -17.344 0.658 7.853 1.00 0.00 C ATOM 754 OG SER A 53 -17.661 0.277 9.180 1.00 0.00 O ATOM 0 H SER A 53 -18.156 -0.969 5.972 1.00 0.00 H new ATOM 0 HA SER A 53 -19.438 1.095 7.647 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.683 -0.085 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.801 1.603 7.862 1.00 0.00 H new ATOM 0 HG SER A 53 -16.836 0.192 9.702 1.00 0.00 H new ATOM 760 N ALA A 54 -18.822 3.100 6.268 1.00 0.00 N ATOM 761 CA ALA A 54 -18.686 4.222 5.347 1.00 0.00 C ATOM 762 C ALA A 54 -17.243 4.712 5.289 1.00 0.00 C ATOM 763 O ALA A 54 -16.679 4.882 4.209 1.00 0.00 O ATOM 764 CB ALA A 54 -19.614 5.356 5.756 1.00 0.00 C ATOM 0 H ALA A 54 -19.255 3.337 7.161 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.966 3.879 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -19.502 6.187 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.646 5.006 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.360 5.689 6.762 1.00 0.00 H new ATOM 770 N GLU A 55 -16.652 4.937 6.459 1.00 0.00 N ATOM 771 CA GLU A 55 -15.274 5.409 6.539 1.00 0.00 C ATOM 772 C GLU A 55 -14.293 4.278 6.243 1.00 0.00 C ATOM 773 O GLU A 55 -13.437 4.399 5.368 1.00 0.00 O ATOM 774 CB GLU A 55 -14.992 5.994 7.924 1.00 0.00 C ATOM 775 CG GLU A 55 -15.503 7.414 8.101 1.00 0.00 C ATOM 776 CD GLU A 55 -14.846 8.393 7.146 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.355 8.554 6.018 1.00 0.00 O ATOM 778 OE2 GLU A 55 -13.823 8.998 7.529 1.00 0.00 O ATOM 0 H GLU A 55 -17.105 4.800 7.363 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.140 6.188 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.450 5.355 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.917 5.979 8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.582 7.430 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.323 7.736 9.127 1.00 0.00 H new ATOM 785 N ALA A 56 -14.426 3.180 6.980 1.00 0.00 N ATOM 786 CA ALA A 56 -13.553 2.027 6.796 1.00 0.00 C ATOM 787 C ALA A 56 -13.303 1.758 5.316 1.00 0.00 C ATOM 788 O ALA A 56 -12.165 1.546 4.898 1.00 0.00 O ATOM 789 CB ALA A 56 -14.154 0.799 7.463 1.00 0.00 C ATOM 0 H ALA A 56 -15.129 3.065 7.710 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.594 2.250 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.492 -0.055 7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.275 0.987 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.126 0.583 7.020 1.00 0.00 H new ATOM 795 N ALA A 57 -14.373 1.769 4.528 1.00 0.00 N ATOM 796 CA ALA A 57 -14.268 1.528 3.095 1.00 0.00 C ATOM 797 C ALA A 57 -13.143 2.353 2.479 1.00 0.00 C ATOM 798 O ALA A 57 -12.186 1.804 1.934 1.00 0.00 O ATOM 799 CB ALA A 57 -15.590 1.840 2.409 1.00 0.00 C ATOM 0 H ALA A 57 -15.322 1.942 4.858 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.033 0.474 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.497 1.655 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.373 1.203 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.849 2.886 2.576 1.00 0.00 H new ATOM 805 N GLU A 58 -13.266 3.673 2.571 1.00 0.00 N ATOM 806 CA GLU A 58 -12.259 4.573 2.021 1.00 0.00 C ATOM 807 C GLU A 58 -10.869 4.219 2.543 1.00 0.00 C ATOM 808 O GLU A 58 -9.978 3.860 1.773 1.00 0.00 O ATOM 809 CB GLU A 58 -12.593 6.024 2.372 1.00 0.00 C ATOM 810 CG GLU A 58 -13.821 6.557 1.654 1.00 0.00 C ATOM 811 CD GLU A 58 -13.503 7.082 0.267 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.418 6.263 -0.672 1.00 0.00 O ATOM 813 OE2 GLU A 58 -13.339 8.311 0.120 1.00 0.00 O ATOM 0 H GLU A 58 -14.052 4.143 3.021 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.261 4.459 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.749 6.102 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.738 6.654 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.565 5.764 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.267 7.355 2.247 1.00 0.00 H new ATOM 820 N ARG A 59 -10.693 4.323 3.856 1.00 0.00 N ATOM 821 CA ARG A 59 -9.413 4.015 4.482 1.00 0.00 C ATOM 822 C ARG A 59 -8.810 2.744 3.891 1.00 0.00 C ATOM 823 O ARG A 59 -7.649 2.728 3.481 1.00 0.00 O ATOM 824 CB ARG A 59 -9.585 3.855 5.994 1.00 0.00 C ATOM 825 CG ARG A 59 -8.338 4.206 6.789 1.00 0.00 C ATOM 826 CD ARG A 59 -7.367 3.038 6.847 1.00 0.00 C ATOM 827 NE ARG A 59 -6.122 3.393 7.524 1.00 0.00 N ATOM 828 CZ ARG A 59 -5.201 4.192 6.997 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.383 4.716 5.793 1.00 0.00 N ATOM 830 NH2 ARG A 59 -4.095 4.469 7.675 1.00 0.00 N ATOM 0 H ARG A 59 -11.421 4.618 4.507 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.733 4.844 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.408 4.488 6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.867 2.825 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.847 5.067 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.620 4.496 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.836 2.202 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.145 2.700 5.835 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.951 3.006 8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.232 4.506 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.674 5.329 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.951 4.068 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.388 5.083 7.269 1.00 0.00 H new ATOM 844 N PHE A 60 -9.606 1.681 3.850 1.00 0.00 N ATOM 845 CA PHE A 60 -9.151 0.405 3.310 1.00 0.00 C ATOM 846 C PHE A 60 -8.505 0.593 1.941 1.00 0.00 C ATOM 847 O PHE A 60 -7.444 0.035 1.659 1.00 0.00 O ATOM 848 CB PHE A 60 -10.321 -0.575 3.205 1.00 0.00 C ATOM 849 CG PHE A 60 -9.990 -1.823 2.438 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.006 -2.688 2.888 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.664 -2.132 1.267 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.699 -3.838 2.186 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.362 -3.281 0.561 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.377 -4.134 1.020 1.00 0.00 C ATOM 0 H PHE A 60 -10.570 1.678 4.184 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.404 -0.004 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.645 -0.850 4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -11.162 -0.075 2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.472 -2.461 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.433 -1.468 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.930 -4.504 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.896 -3.512 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.138 -5.031 0.468 1.00 0.00 H new ATOM 864 N THR A 61 -9.153 1.384 1.091 1.00 0.00 N ATOM 865 CA THR A 61 -8.645 1.645 -0.250 1.00 0.00 C ATOM 866 C THR A 61 -7.267 2.296 -0.198 1.00 0.00 C ATOM 867 O THR A 61 -6.301 1.772 -0.753 1.00 0.00 O ATOM 868 CB THR A 61 -9.600 2.554 -1.046 1.00 0.00 C ATOM 869 OG1 THR A 61 -10.894 1.948 -1.132 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.061 2.813 -2.445 1.00 0.00 C ATOM 0 H THR A 61 -10.031 1.855 1.308 1.00 0.00 H new ATOM 0 HA THR A 61 -8.570 0.681 -0.753 1.00 0.00 H new ATOM 0 HB THR A 61 -9.680 3.507 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.291 1.895 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.753 3.457 -2.988 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.089 3.301 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.955 1.866 -2.975 1.00 0.00 H new ATOM 878 N ARG A 62 -7.183 3.440 0.472 1.00 0.00 N ATOM 879 CA ARG A 62 -5.923 4.163 0.596 1.00 0.00 C ATOM 880 C ARG A 62 -4.782 3.210 0.939 1.00 0.00 C ATOM 881 O ARG A 62 -3.725 3.239 0.308 1.00 0.00 O ATOM 882 CB ARG A 62 -6.036 5.248 1.668 1.00 0.00 C ATOM 883 CG ARG A 62 -6.522 6.585 1.132 1.00 0.00 C ATOM 884 CD ARG A 62 -6.582 7.636 2.230 1.00 0.00 C ATOM 885 NE ARG A 62 -6.656 8.990 1.687 1.00 0.00 N ATOM 886 CZ ARG A 62 -5.594 9.680 1.284 1.00 0.00 C ATOM 887 NH1 ARG A 62 -4.383 9.145 1.362 1.00 0.00 N ATOM 888 NH2 ARG A 62 -5.742 10.907 0.802 1.00 0.00 N ATOM 0 H ARG A 62 -7.973 3.887 0.938 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.706 4.632 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.719 4.908 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.062 5.386 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.856 6.924 0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.510 6.463 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.450 7.451 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.701 7.548 2.865 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.573 9.430 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.265 8.202 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.570 9.677 1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.672 11.322 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.926 11.435 0.493 1.00 0.00 H new ATOM 902 N ILE A 63 -5.002 2.368 1.943 1.00 0.00 N ATOM 903 CA ILE A 63 -3.993 1.407 2.369 1.00 0.00 C ATOM 904 C ILE A 63 -3.502 0.568 1.194 1.00 0.00 C ATOM 905 O ILE A 63 -2.298 0.445 0.966 1.00 0.00 O ATOM 906 CB ILE A 63 -4.535 0.469 3.464 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.930 1.273 4.705 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.499 -0.587 3.818 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.860 0.527 5.637 1.00 0.00 C ATOM 0 H ILE A 63 -5.871 2.332 2.477 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.161 1.983 2.774 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.423 -0.035 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.028 1.551 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.410 2.199 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.897 -1.242 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.262 -1.176 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.594 -0.101 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.098 1.157 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.778 0.272 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.375 -0.386 5.981 1.00 0.00 H new ATOM 921 N SER A 64 -4.441 -0.006 0.450 1.00 0.00 N ATOM 922 CA SER A 64 -4.104 -0.835 -0.701 1.00 0.00 C ATOM 923 C SER A 64 -3.089 -0.133 -1.597 1.00 0.00 C ATOM 924 O SER A 64 -2.136 -0.749 -2.074 1.00 0.00 O ATOM 925 CB SER A 64 -5.364 -1.169 -1.502 1.00 0.00 C ATOM 926 OG SER A 64 -5.770 -0.068 -2.296 1.00 0.00 O ATOM 0 H SER A 64 -5.442 0.088 0.624 1.00 0.00 H new ATOM 0 HA SER A 64 -3.660 -1.760 -0.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.175 -2.032 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.169 -1.447 -0.821 1.00 0.00 H new ATOM 0 HG SER A 64 -6.350 0.519 -1.768 1.00 0.00 H new ATOM 932 N GLN A 65 -3.301 1.159 -1.822 1.00 0.00 N ATOM 933 CA GLN A 65 -2.405 1.946 -2.662 1.00 0.00 C ATOM 934 C GLN A 65 -0.967 1.849 -2.163 1.00 0.00 C ATOM 935 O GLN A 65 -0.055 1.533 -2.927 1.00 0.00 O ATOM 936 CB GLN A 65 -2.851 3.409 -2.690 1.00 0.00 C ATOM 937 CG GLN A 65 -4.297 3.596 -3.119 1.00 0.00 C ATOM 938 CD GLN A 65 -4.614 5.032 -3.489 1.00 0.00 C ATOM 939 OE1 GLN A 65 -3.731 5.889 -3.509 1.00 0.00 O ATOM 940 NE2 GLN A 65 -5.881 5.301 -3.784 1.00 0.00 N ATOM 0 H GLN A 65 -4.085 1.684 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.447 1.542 -3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.716 3.840 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.204 3.964 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.505 2.950 -3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.956 3.279 -2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.580 4.559 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.155 6.250 -4.040 1.00 0.00 H new ATOM 949 N ALA A 66 -0.772 2.123 -0.878 1.00 0.00 N ATOM 950 CA ALA A 66 0.555 2.065 -0.277 1.00 0.00 C ATOM 951 C ALA A 66 1.273 0.775 -0.657 1.00 0.00 C ATOM 952 O ALA A 66 2.487 0.767 -0.862 1.00 0.00 O ATOM 953 CB ALA A 66 0.455 2.191 1.236 1.00 0.00 C ATOM 0 H ALA A 66 -1.516 2.387 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 66 1.139 2.901 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.453 2.146 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.010 3.143 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.150 1.374 1.630 1.00 0.00 H new ATOM 959 N TYR A 67 0.517 -0.313 -0.748 1.00 0.00 N ATOM 960 CA TYR A 67 1.083 -1.610 -1.099 1.00 0.00 C ATOM 961 C TYR A 67 1.104 -1.803 -2.613 1.00 0.00 C ATOM 962 O TYR A 67 1.048 -2.928 -3.108 1.00 0.00 O ATOM 963 CB TYR A 67 0.282 -2.735 -0.442 1.00 0.00 C ATOM 964 CG TYR A 67 1.086 -3.994 -0.207 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.319 -3.944 0.430 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.612 -5.232 -0.622 1.00 0.00 C ATOM 967 CE1 TYR A 67 3.058 -5.091 0.647 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.343 -6.384 -0.408 1.00 0.00 C ATOM 969 CZ TYR A 67 2.566 -6.309 0.227 1.00 0.00 C ATOM 970 OH TYR A 67 3.298 -7.454 0.441 1.00 0.00 O ATOM 0 H TYR A 67 -0.490 -0.323 -0.584 1.00 0.00 H new ATOM 0 HA TYR A 67 2.109 -1.641 -0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.110 -2.381 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.576 -2.974 -1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.707 -2.992 0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.344 -5.295 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.016 -5.034 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.959 -7.339 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 67 2.809 -8.226 0.086 1.00 0.00 H new ATOM 980 N VAL A 68 1.187 -0.695 -3.343 1.00 0.00 N ATOM 981 CA VAL A 68 1.218 -0.739 -4.800 1.00 0.00 C ATOM 982 C VAL A 68 2.426 0.012 -5.347 1.00 0.00 C ATOM 983 O VAL A 68 3.275 -0.565 -6.026 1.00 0.00 O ATOM 984 CB VAL A 68 -0.064 -0.140 -5.407 1.00 0.00 C ATOM 985 CG1 VAL A 68 0.020 -0.126 -6.926 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.287 -0.915 -4.940 1.00 0.00 C ATOM 0 H VAL A 68 1.234 0.245 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 68 1.288 -1.789 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.161 0.890 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.895 0.301 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.873 0.476 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.142 -1.145 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.184 -0.478 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.200 -1.955 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.355 -0.868 -3.853 1.00 0.00 H new ATOM 996 N VAL A 69 2.497 1.306 -5.047 1.00 0.00 N ATOM 997 CA VAL A 69 3.602 2.138 -5.508 1.00 0.00 C ATOM 998 C VAL A 69 4.920 1.699 -4.879 1.00 0.00 C ATOM 999 O VAL A 69 5.968 1.724 -5.525 1.00 0.00 O ATOM 1000 CB VAL A 69 3.360 3.623 -5.181 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.523 4.474 -5.670 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.049 4.096 -5.792 1.00 0.00 C ATOM 0 H VAL A 69 1.802 1.800 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 69 3.660 2.016 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 69 3.291 3.732 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.334 5.520 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.442 4.150 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.627 4.362 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.894 5.148 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.087 3.974 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.226 3.506 -5.389 1.00 0.00 H new ATOM 1012 N LEU A 70 4.860 1.296 -3.614 1.00 0.00 N ATOM 1013 CA LEU A 70 6.049 0.850 -2.896 1.00 0.00 C ATOM 1014 C LEU A 70 6.212 -0.663 -3.000 1.00 0.00 C ATOM 1015 O LEU A 70 7.327 -1.182 -2.954 1.00 0.00 O ATOM 1016 CB LEU A 70 5.967 1.266 -1.427 1.00 0.00 C ATOM 1017 CG LEU A 70 5.572 2.719 -1.161 1.00 0.00 C ATOM 1018 CD1 LEU A 70 5.075 2.885 0.266 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.747 3.649 -1.430 1.00 0.00 C ATOM 0 H LEU A 70 4.001 1.269 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 70 6.918 1.323 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.248 0.618 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.937 1.084 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 70 4.761 2.985 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.799 3.926 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.205 2.248 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.865 2.601 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.448 4.679 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.578 3.383 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.057 3.552 -2.470 1.00 0.00 H new ATOM 1031 N GLY A 71 5.092 -1.366 -3.143 1.00 0.00 N ATOM 1032 CA GLY A 71 5.133 -2.812 -3.253 1.00 0.00 C ATOM 1033 C GLY A 71 6.213 -3.291 -4.203 1.00 0.00 C ATOM 1034 O GLY A 71 6.761 -4.380 -4.034 1.00 0.00 O ATOM 0 H GLY A 71 4.157 -0.959 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.304 -3.244 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.164 -3.175 -3.597 1.00 0.00 H new ATOM 1038 N SER A 72 6.520 -2.475 -5.207 1.00 0.00 N ATOM 1039 CA SER A 72 7.538 -2.824 -6.191 1.00 0.00 C ATOM 1040 C SER A 72 8.629 -1.759 -6.245 1.00 0.00 C ATOM 1041 O SER A 72 8.353 -0.583 -6.481 1.00 0.00 O ATOM 1042 CB SER A 72 6.905 -2.991 -7.574 1.00 0.00 C ATOM 1043 OG SER A 72 7.686 -3.843 -8.393 1.00 0.00 O ATOM 0 H SER A 72 6.078 -1.568 -5.360 1.00 0.00 H new ATOM 0 HA SER A 72 7.990 -3.769 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.901 -3.402 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.803 -2.016 -8.051 1.00 0.00 H new ATOM 0 HG SER A 72 7.259 -3.935 -9.270 1.00 0.00 H new ATOM 1049 N ALA A 73 9.870 -2.181 -6.024 1.00 0.00 N ATOM 1050 CA ALA A 73 11.004 -1.265 -6.048 1.00 0.00 C ATOM 1051 C ALA A 73 10.971 -0.385 -7.293 1.00 0.00 C ATOM 1052 O ALA A 73 10.998 0.843 -7.199 1.00 0.00 O ATOM 1053 CB ALA A 73 12.311 -2.042 -5.983 1.00 0.00 C ATOM 0 H ALA A 73 10.115 -3.151 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 73 10.936 -0.617 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.149 -1.346 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.343 -2.624 -5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.378 -2.714 -6.839 1.00 0.00 H new ATOM 1059 N THR A 74 10.914 -1.019 -8.460 1.00 0.00 N ATOM 1060 CA THR A 74 10.880 -0.293 -9.723 1.00 0.00 C ATOM 1061 C THR A 74 10.014 0.957 -9.616 1.00 0.00 C ATOM 1062 O THR A 74 10.496 2.076 -9.791 1.00 0.00 O ATOM 1063 CB THR A 74 10.346 -1.178 -10.865 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.160 -2.348 -10.999 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.329 -0.413 -12.180 1.00 0.00 C ATOM 0 H THR A 74 10.890 -2.034 -8.556 1.00 0.00 H new ATOM 0 HA THR A 74 11.906 -0.002 -9.948 1.00 0.00 H new ATOM 0 HB THR A 74 9.325 -1.472 -10.621 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.813 -2.906 -11.726 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.948 -1.058 -12.972 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.686 0.462 -12.084 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.341 -0.093 -12.428 1.00 0.00 H new ATOM 1073 N LEU A 75 8.732 0.759 -9.327 1.00 0.00 N ATOM 1074 CA LEU A 75 7.797 1.871 -9.196 1.00 0.00 C ATOM 1075 C LEU A 75 8.426 3.022 -8.416 1.00 0.00 C ATOM 1076 O LEU A 75 8.618 4.114 -8.950 1.00 0.00 O ATOM 1077 CB LEU A 75 6.517 1.407 -8.499 1.00 0.00 C ATOM 1078 CG LEU A 75 5.782 0.238 -9.155 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.734 -0.331 -8.211 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.140 0.678 -10.463 1.00 0.00 C ATOM 0 H LEU A 75 8.317 -0.161 -9.179 1.00 0.00 H new ATOM 0 HA LEU A 75 7.550 2.226 -10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.766 1.125 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.832 2.253 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 75 6.508 -0.545 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.221 -1.162 -8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.218 -0.684 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.011 0.445 -7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.621 -0.167 -10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.427 1.479 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.911 1.038 -11.144 1.00 0.00 H new ATOM 1092 N ARG A 76 8.746 2.768 -7.151 1.00 0.00 N ATOM 1093 CA ARG A 76 9.354 3.782 -6.299 1.00 0.00 C ATOM 1094 C ARG A 76 10.285 4.683 -7.105 1.00 0.00 C ATOM 1095 O ARG A 76 10.140 5.905 -7.099 1.00 0.00 O ATOM 1096 CB ARG A 76 10.128 3.121 -5.157 1.00 0.00 C ATOM 1097 CG ARG A 76 9.275 2.823 -3.935 1.00 0.00 C ATOM 1098 CD ARG A 76 10.131 2.433 -2.740 1.00 0.00 C ATOM 1099 NE ARG A 76 10.787 1.143 -2.934 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.879 0.768 -2.277 1.00 0.00 C ATOM 1101 NH1 ARG A 76 12.434 1.580 -1.388 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.418 -0.422 -2.509 1.00 0.00 N ATOM 0 H ARG A 76 8.594 1.869 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 76 8.556 4.396 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.568 2.191 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.952 3.771 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.677 3.699 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.579 2.016 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.885 3.201 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.509 2.392 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 76 10.385 0.494 -3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.023 2.496 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.272 1.289 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.994 -1.050 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.256 -0.709 -2.004 1.00 0.00 H new ATOM 1116 N ARG A 77 11.241 4.070 -7.796 1.00 0.00 N ATOM 1117 CA ARG A 77 12.196 4.817 -8.605 1.00 0.00 C ATOM 1118 C ARG A 77 11.479 5.649 -9.664 1.00 0.00 C ATOM 1119 O ARG A 77 11.760 6.836 -9.832 1.00 0.00 O ATOM 1120 CB ARG A 77 13.185 3.861 -9.275 1.00 0.00 C ATOM 1121 CG ARG A 77 14.045 3.086 -8.291 1.00 0.00 C ATOM 1122 CD ARG A 77 14.902 2.047 -8.998 1.00 0.00 C ATOM 1123 NE ARG A 77 15.552 1.140 -8.055 1.00 0.00 N ATOM 1124 CZ ARG A 77 16.650 0.449 -8.338 1.00 0.00 C ATOM 1125 NH1 ARG A 77 17.219 0.561 -9.531 1.00 0.00 N ATOM 1126 NH2 ARG A 77 17.182 -0.356 -7.427 1.00 0.00 N ATOM 0 H ARG A 77 11.374 3.059 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 77 12.742 5.492 -7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.632 3.156 -9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.833 4.431 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.686 3.777 -7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.407 2.594 -7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.281 1.472 -9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.660 2.550 -9.598 1.00 0.00 H new ATOM 0 HE ARG A 77 15.140 1.032 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.813 1.179 -10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.062 0.029 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.747 -0.444 -6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.025 -0.886 -7.645 1.00 0.00 H new ATOM 1140 N LYS A 78 10.552 5.018 -10.377 1.00 0.00 N ATOM 1141 CA LYS A 78 9.793 5.698 -11.420 1.00 0.00 C ATOM 1142 C LYS A 78 9.151 6.973 -10.881 1.00 0.00 C ATOM 1143 O LYS A 78 9.443 8.073 -11.352 1.00 0.00 O ATOM 1144 CB LYS A 78 8.715 4.770 -11.982 1.00 0.00 C ATOM 1145 CG LYS A 78 9.266 3.479 -12.564 1.00 0.00 C ATOM 1146 CD LYS A 78 8.166 2.629 -13.177 1.00 0.00 C ATOM 1147 CE LYS A 78 7.783 3.128 -14.562 1.00 0.00 C ATOM 1148 NZ LYS A 78 6.803 2.224 -15.226 1.00 0.00 N ATOM 0 H LYS A 78 10.308 4.036 -10.251 1.00 0.00 H new ATOM 0 HA LYS A 78 10.483 5.969 -12.219 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.007 4.528 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.159 5.299 -12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.013 3.711 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.771 2.913 -11.782 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.498 1.593 -13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.290 2.643 -12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.358 4.129 -14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.678 3.209 -15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.567 2.599 -16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.217 1.275 -15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.939 2.166 -14.650 1.00 0.00 H new ATOM 1162 N TYR A 79 8.277 6.818 -9.893 1.00 0.00 N ATOM 1163 CA TYR A 79 7.594 7.956 -9.291 1.00 0.00 C ATOM 1164 C TYR A 79 8.585 9.059 -8.932 1.00 0.00 C ATOM 1165 O TYR A 79 8.325 10.241 -9.159 1.00 0.00 O ATOM 1166 CB TYR A 79 6.828 7.517 -8.042 1.00 0.00 C ATOM 1167 CG TYR A 79 5.916 8.586 -7.483 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.699 8.874 -8.088 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.273 9.308 -6.351 1.00 0.00 C ATOM 1170 CE1 TYR A 79 3.863 9.850 -7.581 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.443 10.285 -5.837 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.239 10.553 -6.455 1.00 0.00 C ATOM 1173 OH TYR A 79 3.410 11.526 -5.947 1.00 0.00 O ATOM 0 H TYR A 79 8.025 5.915 -9.492 1.00 0.00 H new ATOM 0 HA TYR A 79 6.888 8.350 -10.022 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.235 6.634 -8.281 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.542 7.222 -7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.401 8.326 -8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.215 9.102 -5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.920 10.062 -8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.735 10.836 -4.956 1.00 0.00 H new ATOM 0 HH TYR A 79 3.822 11.924 -5.152 1.00 0.00 H new ATOM 1183 N ASP A 80 9.722 8.663 -8.370 1.00 0.00 N ATOM 1184 CA ASP A 80 10.754 9.617 -7.980 1.00 0.00 C ATOM 1185 C ASP A 80 11.152 10.499 -9.159 1.00 0.00 C ATOM 1186 O ASP A 80 11.392 11.696 -8.998 1.00 0.00 O ATOM 1187 CB ASP A 80 11.981 8.880 -7.441 1.00 0.00 C ATOM 1188 CG ASP A 80 12.973 9.815 -6.778 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.648 10.358 -5.702 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.075 10.004 -7.336 1.00 0.00 O ATOM 0 H ASP A 80 9.952 7.689 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 80 10.348 10.254 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.661 8.125 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.473 8.353 -8.259 1.00 0.00 H new ATOM 1195 N ARG A 81 11.222 9.900 -10.343 1.00 0.00 N ATOM 1196 CA ARG A 81 11.593 10.632 -11.548 1.00 0.00 C ATOM 1197 C ARG A 81 10.354 11.045 -12.337 1.00 0.00 C ATOM 1198 O ARG A 81 10.446 11.429 -13.502 1.00 0.00 O ATOM 1199 CB ARG A 81 12.509 9.777 -12.427 1.00 0.00 C ATOM 1200 CG ARG A 81 13.591 9.047 -11.649 1.00 0.00 C ATOM 1201 CD ARG A 81 14.593 10.017 -11.043 1.00 0.00 C ATOM 1202 NE ARG A 81 15.918 9.420 -10.904 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.810 9.373 -11.887 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.520 9.886 -13.074 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.995 8.813 -11.683 1.00 0.00 N ATOM 0 H ARG A 81 11.027 8.910 -10.494 1.00 0.00 H new ATOM 0 HA ARG A 81 12.127 11.533 -11.246 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.904 9.047 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.979 10.415 -13.176 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.134 8.453 -10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.110 8.352 -12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.660 10.907 -11.669 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.237 10.342 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 81 16.173 9.017 -10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.610 10.318 -13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.207 9.849 -13.827 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.222 8.418 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.679 8.777 -12.439 1.00 0.00 H new ATOM 1219 N GLY A 82 9.193 10.961 -11.693 1.00 0.00 N ATOM 1220 CA GLY A 82 7.952 11.328 -12.350 1.00 0.00 C ATOM 1221 C GLY A 82 7.657 10.463 -13.558 1.00 0.00 C ATOM 1222 O GLY A 82 6.960 10.887 -14.481 1.00 0.00 O ATOM 0 H GLY A 82 9.090 10.645 -10.728 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.130 11.246 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.003 12.372 -12.659 1.00 0.00 H new ATOM 1226 N LEU A 83 8.190 9.246 -13.556 1.00 0.00 N ATOM 1227 CA LEU A 83 7.982 8.317 -14.662 1.00 0.00 C ATOM 1228 C LEU A 83 6.743 7.459 -14.427 1.00 0.00 C ATOM 1229 O LEU A 83 6.125 6.969 -15.373 1.00 0.00 O ATOM 1230 CB LEU A 83 9.209 7.422 -14.841 1.00 0.00 C ATOM 1231 CG LEU A 83 10.529 8.142 -15.121 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.709 7.242 -14.785 1.00 0.00 C ATOM 1233 CD2 LEU A 83 10.595 8.591 -16.573 1.00 0.00 C ATOM 0 H LEU A 83 8.769 8.879 -12.801 1.00 0.00 H new ATOM 0 HA LEU A 83 7.831 8.901 -15.570 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.330 6.821 -13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.014 6.731 -15.661 1.00 0.00 H new ATOM 0 HG LEU A 83 10.580 9.027 -14.486 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.640 7.771 -14.990 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.671 6.971 -13.730 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.663 6.339 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.541 9.101 -16.753 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.521 7.722 -17.226 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.770 9.272 -16.781 1.00 0.00 H new ATOM 1245 N LEU A 84 6.383 7.284 -13.160 1.00 0.00 N ATOM 1246 CA LEU A 84 5.216 6.487 -12.799 1.00 0.00 C ATOM 1247 C LEU A 84 3.927 7.199 -13.197 1.00 0.00 C ATOM 1248 O LEU A 84 3.674 8.328 -12.777 1.00 0.00 O ATOM 1249 CB LEU A 84 5.212 6.203 -11.296 1.00 0.00 C ATOM 1250 CG LEU A 84 4.117 5.261 -10.794 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.599 3.819 -10.827 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.684 5.649 -9.388 1.00 0.00 C ATOM 0 H LEU A 84 6.883 7.683 -12.366 1.00 0.00 H new ATOM 0 HA LEU A 84 5.270 5.542 -13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.179 5.781 -11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.118 7.152 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 84 3.255 5.350 -11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.807 3.162 -10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.860 3.546 -11.850 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.476 3.714 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.904 4.968 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.539 5.589 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.298 6.668 -9.394 1.00 0.00 H new ATOM 1264 N SER A 85 3.113 6.530 -14.008 1.00 0.00 N ATOM 1265 CA SER A 85 1.850 7.099 -14.464 1.00 0.00 C ATOM 1266 C SER A 85 0.826 7.122 -13.334 1.00 0.00 C ATOM 1267 O SER A 85 1.004 6.469 -12.306 1.00 0.00 O ATOM 1268 CB SER A 85 1.304 6.298 -15.648 1.00 0.00 C ATOM 1269 OG SER A 85 2.082 6.513 -16.812 1.00 0.00 O ATOM 0 H SER A 85 3.306 5.593 -14.363 1.00 0.00 H new ATOM 0 HA SER A 85 2.035 8.125 -14.783 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.299 5.236 -15.401 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.270 6.586 -15.840 1.00 0.00 H new ATOM 0 HG SER A 85 1.713 5.989 -17.553 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.248 7.879 -13.533 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.303 7.988 -12.533 1.00 0.00 C ATOM 1277 C ASP A 86 -2.018 6.653 -12.349 1.00 0.00 C ATOM 1278 O ASP A 86 -2.236 6.204 -11.224 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.308 9.068 -12.936 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.977 9.713 -11.738 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.372 10.630 -11.144 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -4.104 9.299 -11.392 1.00 0.00 O ATOM 0 H ASP A 86 -0.410 8.426 -14.378 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.843 8.267 -11.585 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.799 9.834 -13.520 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.069 8.629 -13.581 1.00 0.00 H new ATOM 1287 N GLU A 87 -2.380 6.024 -13.463 1.00 0.00 N ATOM 1288 CA GLU A 87 -3.073 4.741 -13.424 1.00 0.00 C ATOM 1289 C GLU A 87 -2.344 3.757 -12.513 1.00 0.00 C ATOM 1290 O GLU A 87 -2.969 2.935 -11.842 1.00 0.00 O ATOM 1291 CB GLU A 87 -3.191 4.157 -14.833 1.00 0.00 C ATOM 1292 CG GLU A 87 -3.927 2.829 -14.882 1.00 0.00 C ATOM 1293 CD GLU A 87 -3.513 1.975 -16.065 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -4.049 2.194 -17.171 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -2.653 1.088 -15.884 1.00 0.00 O ATOM 0 H GLU A 87 -2.205 6.381 -14.402 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.073 4.909 -13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.708 4.873 -15.472 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.191 4.024 -15.247 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.740 2.280 -13.959 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.000 3.014 -14.930 1.00 0.00 H new ATOM 1302 N ASP A 88 -1.019 3.846 -12.496 1.00 0.00 N ATOM 1303 CA ASP A 88 -0.203 2.965 -11.668 1.00 0.00 C ATOM 1304 C ASP A 88 -0.565 3.117 -10.193 1.00 0.00 C ATOM 1305 O ASP A 88 -0.736 2.127 -9.480 1.00 0.00 O ATOM 1306 CB ASP A 88 1.282 3.266 -11.875 1.00 0.00 C ATOM 1307 CG ASP A 88 1.889 2.443 -12.994 1.00 0.00 C ATOM 1308 OD1 ASP A 88 1.619 2.755 -14.173 1.00 0.00 O ATOM 1309 OD2 ASP A 88 2.632 1.486 -12.692 1.00 0.00 O ATOM 0 H ASP A 88 -0.486 4.520 -13.046 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.402 1.936 -11.969 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.407 4.326 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.822 3.069 -10.949 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.679 4.361 -9.742 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.020 4.642 -8.352 1.00 0.00 C ATOM 1316 C LEU A 89 -2.124 3.712 -7.863 1.00 0.00 C ATOM 1317 O LEU A 89 -1.953 2.992 -6.879 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.460 6.099 -8.199 1.00 0.00 C ATOM 1319 CG LEU A 89 -0.413 7.157 -8.552 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.086 8.454 -8.974 1.00 0.00 C ATOM 1321 CD2 LEU A 89 0.520 7.397 -7.374 1.00 0.00 C ATOM 0 H LEU A 89 -0.540 5.191 -10.318 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.131 4.471 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.337 6.261 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.773 6.257 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 89 0.179 6.790 -9.390 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.326 9.195 -9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.712 8.272 -9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.703 8.827 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.258 8.152 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.058 7.743 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.029 6.468 -7.117 1.00 0.00 H new