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 Single : A 17 THR OG1 : rot 180:sc=-0.00452 USER MOD Single : A 20 TYR OH : rot 90:sc= -0.701 USER MOD Single : A 27 SER OG : rot -35:sc= 1 USER MOD Single : A 28 THR OG1 : rot -44:sc= 0.131 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.06 K(o=1.1,f=0.35) USER MOD Single : A 33 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.22 X(o=-1.2,f=-0.82) USER MOD Single : A 42 CYS SG : rot 21:sc= 0.552 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-7!) USER MOD Single : A 50 ASN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.17) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0547 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+ 160:sc= -0.11 (180deg=-0.385) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.947 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N ARG A 16 3.713 12.774 -1.165 1.00 0.00 N ATOM 168 CA ARG A 16 4.850 12.083 -1.761 1.00 0.00 C ATOM 169 C ARG A 16 5.295 10.914 -0.887 1.00 0.00 C ATOM 170 O ARG A 16 5.824 9.919 -1.384 1.00 0.00 O ATOM 171 CB ARG A 16 6.015 13.053 -1.965 1.00 0.00 C ATOM 172 CG ARG A 16 6.356 13.864 -0.725 1.00 0.00 C ATOM 173 CD ARG A 16 5.559 15.158 -0.669 1.00 0.00 C ATOM 174 NE ARG A 16 6.216 16.237 -1.401 1.00 0.00 N ATOM 175 CZ ARG A 16 5.718 17.464 -1.504 1.00 0.00 C ATOM 176 NH1 ARG A 16 4.564 17.766 -0.924 1.00 0.00 N ATOM 177 NH2 ARG A 16 6.374 18.393 -2.188 1.00 0.00 N ATOM 0 HA ARG A 16 4.538 11.692 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.896 12.490 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.771 13.735 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.152 13.271 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.422 14.091 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.566 14.990 -1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.423 15.455 0.371 1.00 0.00 H new ATOM 0 HE ARG A 16 7.106 16.038 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.057 17.055 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.184 18.709 -1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.262 18.165 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.990 19.335 -2.266 1.00 0.00 H new ATOM 191 N THR A 17 5.077 11.041 0.418 1.00 0.00 N ATOM 192 CA THR A 17 5.457 9.997 1.362 1.00 0.00 C ATOM 193 C THR A 17 4.243 9.472 2.119 1.00 0.00 C ATOM 194 O THR A 17 4.370 8.631 3.008 1.00 0.00 O ATOM 195 CB THR A 17 6.499 10.507 2.375 1.00 0.00 C ATOM 196 OG1 THR A 17 7.026 9.411 3.130 1.00 0.00 O ATOM 197 CG2 THR A 17 5.881 11.529 3.318 1.00 0.00 C ATOM 0 H THR A 17 4.639 11.857 0.846 1.00 0.00 H new ATOM 0 HA THR A 17 5.895 9.188 0.778 1.00 0.00 H new ATOM 0 HB THR A 17 7.306 10.987 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.689 9.744 3.771 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.635 11.875 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.507 12.376 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.057 11.069 3.864 1.00 0.00 H new ATOM 205 N ALA A 18 3.065 9.975 1.761 1.00 0.00 N ATOM 206 CA ALA A 18 1.828 9.554 2.406 1.00 0.00 C ATOM 207 C ALA A 18 1.688 8.036 2.389 1.00 0.00 C ATOM 208 O ALA A 18 1.396 7.417 3.413 1.00 0.00 O ATOM 209 CB ALA A 18 0.631 10.203 1.726 1.00 0.00 C ATOM 0 H ALA A 18 2.942 10.674 1.028 1.00 0.00 H new ATOM 0 HA ALA A 18 1.862 9.878 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.286 9.880 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.717 11.287 1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.604 9.907 0.677 1.00 0.00 H new ATOM 215 N LEU A 19 1.899 7.440 1.220 1.00 0.00 N ATOM 216 CA LEU A 19 1.796 5.993 1.070 1.00 0.00 C ATOM 217 C LEU A 19 2.698 5.276 2.068 1.00 0.00 C ATOM 218 O LEU A 19 2.562 4.073 2.292 1.00 0.00 O ATOM 219 CB LEU A 19 2.166 5.581 -0.356 1.00 0.00 C ATOM 220 CG LEU A 19 1.707 6.525 -1.468 1.00 0.00 C ATOM 221 CD1 LEU A 19 1.988 5.918 -2.834 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.226 6.845 -1.319 1.00 0.00 C ATOM 0 H LEU A 19 2.142 7.937 0.363 1.00 0.00 H new ATOM 0 HA LEU A 19 0.764 5.705 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.250 5.483 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.746 4.594 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 19 2.270 7.455 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.655 6.604 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.058 5.741 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.453 4.973 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.083 7.518 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.353 5.923 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.052 7.323 -0.355 1.00 0.00 H new ATOM 234 N TYR A 20 3.619 6.023 2.668 1.00 0.00 N ATOM 235 CA TYR A 20 4.545 5.459 3.643 1.00 0.00 C ATOM 236 C TYR A 20 4.046 5.692 5.066 1.00 0.00 C ATOM 237 O TYR A 20 4.461 5.009 6.001 1.00 0.00 O ATOM 238 CB TYR A 20 5.936 6.071 3.471 1.00 0.00 C ATOM 239 CG TYR A 20 6.486 5.939 2.069 1.00 0.00 C ATOM 240 CD1 TYR A 20 5.965 6.691 1.023 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.528 5.063 1.790 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.465 6.573 -0.260 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.035 4.940 0.511 1.00 0.00 C ATOM 244 CZ TYR A 20 7.499 5.696 -0.510 1.00 0.00 C ATOM 245 OH TYR A 20 8.001 5.577 -1.786 1.00 0.00 O ATOM 0 H TYR A 20 3.744 7.021 2.496 1.00 0.00 H new ATOM 0 HA TYR A 20 4.605 4.385 3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.895 7.127 3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.623 5.592 4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.156 7.379 1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.949 4.468 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.048 7.164 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.846 4.256 0.312 1.00 0.00 H new ATOM 0 HH TYR A 20 8.731 6.219 -1.912 1.00 0.00 H new ATOM 255 N ASP A 21 3.153 6.663 5.220 1.00 0.00 N ATOM 256 CA ASP A 21 2.595 6.988 6.528 1.00 0.00 C ATOM 257 C ASP A 21 1.390 6.105 6.839 1.00 0.00 C ATOM 258 O ASP A 21 1.107 5.810 8.001 1.00 0.00 O ATOM 259 CB ASP A 21 2.190 8.462 6.582 1.00 0.00 C ATOM 260 CG ASP A 21 1.474 8.819 7.869 1.00 0.00 C ATOM 261 OD1 ASP A 21 0.255 8.562 7.962 1.00 0.00 O ATOM 262 OD2 ASP A 21 2.132 9.355 8.785 1.00 0.00 O ATOM 0 H ASP A 21 2.800 7.239 4.456 1.00 0.00 H new ATOM 0 HA ASP A 21 3.363 6.803 7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.079 9.084 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.543 8.689 5.735 1.00 0.00 H new ATOM 267 N LEU A 22 0.684 5.687 5.795 1.00 0.00 N ATOM 268 CA LEU A 22 -0.491 4.838 5.956 1.00 0.00 C ATOM 269 C LEU A 22 -0.113 3.495 6.572 1.00 0.00 C ATOM 270 O LEU A 22 -0.802 2.990 7.460 1.00 0.00 O ATOM 271 CB LEU A 22 -1.175 4.618 4.606 1.00 0.00 C ATOM 272 CG LEU A 22 -2.239 5.645 4.217 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.613 6.797 3.447 1.00 0.00 C ATOM 274 CD2 LEU A 22 -3.340 4.989 3.397 1.00 0.00 C ATOM 0 H LEU A 22 0.905 5.922 4.827 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.184 5.343 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.409 4.607 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.637 3.631 4.612 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.682 6.043 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.385 7.518 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.862 7.285 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.142 6.416 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.088 5.735 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.913 4.562 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.809 4.199 3.984 1.00 0.00 H new ATOM 286 N LEU A 23 0.988 2.921 6.097 1.00 0.00 N ATOM 287 CA LEU A 23 1.460 1.637 6.602 1.00 0.00 C ATOM 288 C LEU A 23 2.168 1.807 7.943 1.00 0.00 C ATOM 289 O LEU A 23 1.895 1.079 8.897 1.00 0.00 O ATOM 290 CB LEU A 23 2.407 0.986 5.592 1.00 0.00 C ATOM 291 CG LEU A 23 1.755 0.074 4.553 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.580 0.775 3.889 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.775 -0.364 3.512 1.00 0.00 C ATOM 0 H LEU A 23 1.570 3.325 5.363 1.00 0.00 H new ATOM 0 HA LEU A 23 0.594 0.991 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.945 1.776 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.149 0.406 6.141 1.00 0.00 H new ATOM 0 HG LEU A 23 1.381 -0.814 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.129 0.110 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.161 1.037 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.929 1.681 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.293 -1.013 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.180 0.513 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.584 -0.907 4.001 1.00 0.00 H new ATOM 305 N GLY A 24 3.077 2.775 8.009 1.00 0.00 N ATOM 306 CA GLY A 24 3.808 3.024 9.237 1.00 0.00 C ATOM 307 C GLY A 24 5.305 2.865 9.063 1.00 0.00 C ATOM 308 O GLY A 24 5.999 2.409 9.973 1.00 0.00 O ATOM 0 H GLY A 24 3.320 3.391 7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.591 4.033 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.460 2.337 10.009 1.00 0.00 H new ATOM 312 N VAL A 25 5.807 3.241 7.891 1.00 0.00 N ATOM 313 CA VAL A 25 7.232 3.138 7.600 1.00 0.00 C ATOM 314 C VAL A 25 7.763 4.430 6.991 1.00 0.00 C ATOM 315 O VAL A 25 7.051 5.159 6.300 1.00 0.00 O ATOM 316 CB VAL A 25 7.525 1.971 6.639 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.192 0.640 7.296 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.751 2.143 5.341 1.00 0.00 C ATOM 0 H VAL A 25 5.247 3.620 7.127 1.00 0.00 H new ATOM 0 HA VAL A 25 7.737 2.953 8.548 1.00 0.00 H new ATOM 0 HB VAL A 25 8.589 1.976 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.406 -0.172 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.796 0.517 8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.135 0.620 7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.970 1.309 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.682 2.166 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.045 3.077 4.863 1.00 0.00 H new ATOM 328 N PRO A 26 9.046 4.722 7.250 1.00 0.00 N ATOM 329 CA PRO A 26 9.703 5.928 6.735 1.00 0.00 C ATOM 330 C PRO A 26 9.919 5.871 5.227 1.00 0.00 C ATOM 331 O PRO A 26 9.603 4.871 4.582 1.00 0.00 O ATOM 332 CB PRO A 26 11.047 5.939 7.468 1.00 0.00 C ATOM 333 CG PRO A 26 11.304 4.513 7.812 1.00 0.00 C ATOM 334 CD PRO A 26 9.955 3.899 8.065 1.00 0.00 C ATOM 0 HA PRO A 26 9.103 6.823 6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.839 6.343 6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.005 6.560 8.363 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.819 4.002 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.941 4.433 8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.927 2.852 7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.690 3.934 9.122 1.00 0.00 H new ATOM 342 N SER A 27 10.460 6.950 4.670 1.00 0.00 N ATOM 343 CA SER A 27 10.715 7.024 3.236 1.00 0.00 C ATOM 344 C SER A 27 12.006 6.295 2.876 1.00 0.00 C ATOM 345 O SER A 27 12.473 6.360 1.738 1.00 0.00 O ATOM 346 CB SER A 27 10.797 8.484 2.786 1.00 0.00 C ATOM 347 OG SER A 27 11.084 8.575 1.401 1.00 0.00 O ATOM 0 H SER A 27 10.730 7.785 5.190 1.00 0.00 H new ATOM 0 HA SER A 27 9.888 6.538 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.854 8.987 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.570 9.001 3.356 1.00 0.00 H new ATOM 0 HG SER A 27 11.691 7.850 1.144 1.00 0.00 H new ATOM 353 N THR A 28 12.579 5.601 3.854 1.00 0.00 N ATOM 354 CA THR A 28 13.817 4.861 3.643 1.00 0.00 C ATOM 355 C THR A 28 13.596 3.362 3.809 1.00 0.00 C ATOM 356 O THR A 28 14.500 2.562 3.571 1.00 0.00 O ATOM 357 CB THR A 28 14.918 5.318 4.618 1.00 0.00 C ATOM 358 OG1 THR A 28 16.203 4.917 4.128 1.00 0.00 O ATOM 359 CG2 THR A 28 14.692 4.731 6.003 1.00 0.00 C ATOM 0 H THR A 28 12.205 5.536 4.801 1.00 0.00 H new ATOM 0 HA THR A 28 14.139 5.067 2.622 1.00 0.00 H new ATOM 0 HB THR A 28 14.880 6.405 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.157 3.992 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.482 5.068 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.726 5.061 6.385 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.706 3.643 5.944 1.00 0.00 H new ATOM 367 N ALA A 29 12.388 2.988 4.219 1.00 0.00 N ATOM 368 CA ALA A 29 12.049 1.584 4.414 1.00 0.00 C ATOM 369 C ALA A 29 12.201 0.797 3.117 1.00 0.00 C ATOM 370 O ALA A 29 12.200 1.369 2.027 1.00 0.00 O ATOM 371 CB ALA A 29 10.630 1.454 4.949 1.00 0.00 C ATOM 0 H ALA A 29 11.628 3.638 4.422 1.00 0.00 H new ATOM 0 HA ALA A 29 12.742 1.166 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.389 0.400 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.552 1.975 5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.931 1.893 4.237 1.00 0.00 H new ATOM 377 N THR A 30 12.333 -0.520 3.242 1.00 0.00 N ATOM 378 CA THR A 30 12.489 -1.386 2.080 1.00 0.00 C ATOM 379 C THR A 30 11.316 -2.352 1.953 1.00 0.00 C ATOM 380 O THR A 30 10.415 -2.361 2.791 1.00 0.00 O ATOM 381 CB THR A 30 13.799 -2.193 2.152 1.00 0.00 C ATOM 382 OG1 THR A 30 13.721 -3.160 3.206 1.00 0.00 O ATOM 383 CG2 THR A 30 14.988 -1.274 2.387 1.00 0.00 C ATOM 0 H THR A 30 12.335 -1.010 4.137 1.00 0.00 H new ATOM 0 HA THR A 30 12.519 -0.738 1.204 1.00 0.00 H new ATOM 0 HB THR A 30 13.938 -2.705 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.557 -3.670 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.902 -1.866 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.062 -0.558 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.854 -0.738 3.327 1.00 0.00 H new ATOM 391 N GLN A 31 11.336 -3.164 0.901 1.00 0.00 N ATOM 392 CA GLN A 31 10.273 -4.135 0.666 1.00 0.00 C ATOM 393 C GLN A 31 9.972 -4.930 1.932 1.00 0.00 C ATOM 394 O GLN A 31 8.811 -5.150 2.277 1.00 0.00 O ATOM 395 CB GLN A 31 10.663 -5.086 -0.467 1.00 0.00 C ATOM 396 CG GLN A 31 10.930 -4.382 -1.787 1.00 0.00 C ATOM 397 CD GLN A 31 9.655 -3.985 -2.505 1.00 0.00 C ATOM 398 OE1 GLN A 31 9.268 -2.816 -2.507 1.00 0.00 O ATOM 399 NE2 GLN A 31 8.995 -4.959 -3.121 1.00 0.00 N ATOM 0 H GLN A 31 12.075 -3.169 0.198 1.00 0.00 H new ATOM 0 HA GLN A 31 9.374 -3.589 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.554 -5.641 -0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.866 -5.816 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.532 -3.492 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.517 -5.037 -2.431 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.352 -5.914 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.131 -4.752 -3.622 1.00 0.00 H new ATOM 408 N ALA A 32 11.025 -5.358 2.621 1.00 0.00 N ATOM 409 CA ALA A 32 10.873 -6.127 3.849 1.00 0.00 C ATOM 410 C ALA A 32 9.965 -5.406 4.840 1.00 0.00 C ATOM 411 O ALA A 32 9.081 -6.015 5.442 1.00 0.00 O ATOM 412 CB ALA A 32 12.233 -6.396 4.476 1.00 0.00 C ATOM 0 H ALA A 32 11.993 -5.185 2.349 1.00 0.00 H new ATOM 0 HA ALA A 32 10.407 -7.079 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.104 -6.971 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.851 -6.960 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.721 -5.449 4.708 1.00 0.00 H new ATOM 418 N GLN A 33 10.191 -4.106 5.004 1.00 0.00 N ATOM 419 CA GLN A 33 9.394 -3.303 5.923 1.00 0.00 C ATOM 420 C GLN A 33 8.069 -2.900 5.285 1.00 0.00 C ATOM 421 O GLN A 33 6.998 -3.272 5.766 1.00 0.00 O ATOM 422 CB GLN A 33 10.170 -2.055 6.348 1.00 0.00 C ATOM 423 CG GLN A 33 11.479 -2.364 7.056 1.00 0.00 C ATOM 424 CD GLN A 33 11.970 -1.209 7.906 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.612 -1.091 9.078 1.00 0.00 O ATOM 426 NE2 GLN A 33 12.794 -0.350 7.319 1.00 0.00 N ATOM 0 H GLN A 33 10.919 -3.587 4.513 1.00 0.00 H new ATOM 0 HA GLN A 33 9.182 -3.908 6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.378 -1.449 5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.543 -1.454 7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.348 -3.244 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.238 -2.613 6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.064 -0.487 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.157 0.447 7.842 1.00 0.00 H new ATOM 435 N ILE A 34 8.148 -2.137 4.200 1.00 0.00 N ATOM 436 CA ILE A 34 6.955 -1.684 3.496 1.00 0.00 C ATOM 437 C ILE A 34 5.943 -2.815 3.345 1.00 0.00 C ATOM 438 O ILE A 34 4.746 -2.575 3.183 1.00 0.00 O ATOM 439 CB ILE A 34 7.301 -1.131 2.100 1.00 0.00 C ATOM 440 CG1 ILE A 34 7.979 0.235 2.223 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.047 -1.030 1.245 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.642 0.698 0.945 1.00 0.00 C ATOM 0 H ILE A 34 9.026 -1.820 3.789 1.00 0.00 H new ATOM 0 HA ILE A 34 6.518 -0.886 4.097 1.00 0.00 H new ATOM 0 HB ILE A 34 7.994 -1.818 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.237 0.974 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.727 0.190 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.308 -0.638 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.601 -2.019 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.332 -0.361 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.102 1.673 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.408 -0.020 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.895 0.775 0.155 1.00 0.00 H new ATOM 454 N LYS A 35 6.431 -4.049 3.402 1.00 0.00 N ATOM 455 CA LYS A 35 5.570 -5.219 3.276 1.00 0.00 C ATOM 456 C LYS A 35 5.006 -5.629 4.632 1.00 0.00 C ATOM 457 O LYS A 35 3.791 -5.700 4.814 1.00 0.00 O ATOM 458 CB LYS A 35 6.347 -6.386 2.661 1.00 0.00 C ATOM 459 CG LYS A 35 5.478 -7.585 2.324 1.00 0.00 C ATOM 460 CD LYS A 35 6.303 -8.734 1.770 1.00 0.00 C ATOM 461 CE LYS A 35 5.461 -9.658 0.903 1.00 0.00 C ATOM 462 NZ LYS A 35 6.191 -10.908 0.555 1.00 0.00 N ATOM 0 H LYS A 35 7.419 -4.265 3.535 1.00 0.00 H new ATOM 0 HA LYS A 35 4.739 -4.958 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.845 -6.042 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.128 -6.697 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.948 -7.914 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.722 -7.294 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.132 -8.338 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.737 -9.301 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.540 -9.910 1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.175 -9.138 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.584 -11.511 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.058 -10.670 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.442 -11.417 1.426 1.00 0.00 H new ATOM 476 N ALA A 36 5.897 -5.896 5.582 1.00 0.00 N ATOM 477 CA ALA A 36 5.487 -6.295 6.923 1.00 0.00 C ATOM 478 C ALA A 36 4.346 -5.421 7.431 1.00 0.00 C ATOM 479 O ALA A 36 3.451 -5.896 8.130 1.00 0.00 O ATOM 480 CB ALA A 36 6.670 -6.230 7.877 1.00 0.00 C ATOM 0 H ALA A 36 6.907 -5.843 5.448 1.00 0.00 H new ATOM 0 HA ALA A 36 5.128 -7.323 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.350 -6.530 8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.455 -6.902 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.054 -5.211 7.911 1.00 0.00 H new ATOM 486 N ALA A 37 4.385 -4.140 7.077 1.00 0.00 N ATOM 487 CA ALA A 37 3.353 -3.200 7.497 1.00 0.00 C ATOM 488 C ALA A 37 2.016 -3.523 6.839 1.00 0.00 C ATOM 489 O ALA A 37 1.010 -3.724 7.520 1.00 0.00 O ATOM 490 CB ALA A 37 3.774 -1.775 7.170 1.00 0.00 C ATOM 0 H ALA A 37 5.120 -3.730 6.501 1.00 0.00 H new ATOM 0 HA ALA A 37 3.229 -3.292 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.994 -1.083 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.702 -1.541 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.927 -1.678 6.095 1.00 0.00 H new ATOM 496 N TYR A 38 2.011 -3.571 5.511 1.00 0.00 N ATOM 497 CA TYR A 38 0.796 -3.866 4.761 1.00 0.00 C ATOM 498 C TYR A 38 0.117 -5.123 5.297 1.00 0.00 C ATOM 499 O TYR A 38 -1.063 -5.363 5.038 1.00 0.00 O ATOM 500 CB TYR A 38 1.118 -4.040 3.276 1.00 0.00 C ATOM 501 CG TYR A 38 -0.009 -4.660 2.481 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.156 -3.935 2.184 1.00 0.00 C ATOM 503 CD2 TYR A 38 0.073 -5.971 2.029 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.189 -4.498 1.458 1.00 0.00 C ATOM 505 CE2 TYR A 38 -0.954 -6.541 1.301 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.083 -5.801 1.019 1.00 0.00 C ATOM 507 OH TYR A 38 -3.108 -6.365 0.296 1.00 0.00 O ATOM 0 H TYR A 38 2.835 -3.409 4.932 1.00 0.00 H new ATOM 0 HA TYR A 38 0.112 -3.026 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.360 -3.067 2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.007 -4.662 3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.242 -2.914 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.954 -6.555 2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.074 -3.921 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.873 -7.561 0.955 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.875 -7.288 0.063 1.00 0.00 H new ATOM 517 N TYR A 39 0.870 -5.920 6.046 1.00 0.00 N ATOM 518 CA TYR A 39 0.343 -7.154 6.618 1.00 0.00 C ATOM 519 C TYR A 39 -0.293 -6.894 7.980 1.00 0.00 C ATOM 520 O TYR A 39 -1.270 -7.542 8.355 1.00 0.00 O ATOM 521 CB TYR A 39 1.456 -8.194 6.753 1.00 0.00 C ATOM 522 CG TYR A 39 1.613 -9.074 5.533 1.00 0.00 C ATOM 523 CD1 TYR A 39 1.941 -8.530 4.297 1.00 0.00 C ATOM 524 CD2 TYR A 39 1.435 -10.449 5.617 1.00 0.00 C ATOM 525 CE1 TYR A 39 2.085 -9.329 3.180 1.00 0.00 C ATOM 526 CE2 TYR A 39 1.579 -11.257 4.505 1.00 0.00 C ATOM 527 CZ TYR A 39 1.903 -10.692 3.289 1.00 0.00 C ATOM 528 OH TYR A 39 2.047 -11.492 2.179 1.00 0.00 O ATOM 0 H TYR A 39 1.847 -5.734 6.272 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.424 -7.538 5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.399 -7.682 6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.252 -8.822 7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.086 -7.463 4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.180 -10.894 6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.339 -8.889 2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.439 -12.325 4.588 1.00 0.00 H new ATOM 0 HH TYR A 39 1.887 -12.427 2.426 1.00 0.00 H new ATOM 538 N ARG A 40 0.268 -5.941 8.717 1.00 0.00 N ATOM 539 CA ARG A 40 -0.243 -5.595 10.038 1.00 0.00 C ATOM 540 C ARG A 40 -1.245 -4.448 9.949 1.00 0.00 C ATOM 541 O ARG A 40 -1.472 -3.733 10.925 1.00 0.00 O ATOM 542 CB ARG A 40 0.909 -5.210 10.968 1.00 0.00 C ATOM 543 CG ARG A 40 1.869 -4.200 10.363 1.00 0.00 C ATOM 544 CD ARG A 40 2.534 -3.350 11.436 1.00 0.00 C ATOM 545 NE ARG A 40 1.709 -2.208 11.818 1.00 0.00 N ATOM 546 CZ ARG A 40 2.153 -1.193 12.552 1.00 0.00 C ATOM 547 NH1 ARG A 40 3.407 -1.180 12.980 1.00 0.00 N ATOM 548 NH2 ARG A 40 1.341 -0.189 12.858 1.00 0.00 N ATOM 0 H ARG A 40 1.077 -5.394 8.422 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.752 -6.469 10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.498 -4.800 11.891 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.463 -6.109 11.237 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.632 -4.722 9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.330 -3.555 9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.732 -3.964 12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.498 -2.995 11.072 1.00 0.00 H new ATOM 0 HE ARG A 40 0.739 -2.188 11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.034 -1.950 12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.746 -0.400 13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.375 -0.196 12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.683 0.590 13.421 1.00 0.00 H new ATOM 562 N GLN A 41 -1.840 -4.278 8.773 1.00 0.00 N ATOM 563 CA GLN A 41 -2.817 -3.217 8.558 1.00 0.00 C ATOM 564 C GLN A 41 -4.176 -3.797 8.180 1.00 0.00 C ATOM 565 O GLN A 41 -5.206 -3.396 8.725 1.00 0.00 O ATOM 566 CB GLN A 41 -2.334 -2.264 7.463 1.00 0.00 C ATOM 567 CG GLN A 41 -1.203 -1.351 7.908 1.00 0.00 C ATOM 568 CD GLN A 41 -1.454 -0.731 9.269 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.561 -0.282 9.564 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.423 -0.704 10.106 1.00 0.00 N ATOM 0 H GLN A 41 -1.663 -4.861 7.955 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.925 -2.663 9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.002 -2.848 6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.173 -1.653 7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.273 -1.919 7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.069 -0.559 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.477 -1.088 9.819 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.532 -0.299 11.036 1.00 0.00 H new ATOM 579 N CYS A 42 -4.172 -4.740 7.245 1.00 0.00 N ATOM 580 CA CYS A 42 -5.406 -5.374 6.793 1.00 0.00 C ATOM 581 C CYS A 42 -6.137 -6.032 7.959 1.00 0.00 C ATOM 582 O CYS A 42 -7.366 -6.003 8.030 1.00 0.00 O ATOM 583 CB CYS A 42 -5.103 -6.414 5.714 1.00 0.00 C ATOM 584 SG CYS A 42 -6.497 -6.769 4.619 1.00 0.00 S ATOM 0 H CYS A 42 -3.329 -5.083 6.785 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.050 -4.602 6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.263 -6.065 5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.788 -7.340 6.195 1.00 0.00 H new ATOM 0 HG CYS A 42 -7.343 -5.783 4.660 1.00 0.00 H new ATOM 590 N PHE A 43 -5.374 -6.625 8.871 1.00 0.00 N ATOM 591 CA PHE A 43 -5.950 -7.293 10.032 1.00 0.00 C ATOM 592 C PHE A 43 -6.570 -6.279 10.990 1.00 0.00 C ATOM 593 O PHE A 43 -7.662 -6.495 11.518 1.00 0.00 O ATOM 594 CB PHE A 43 -4.881 -8.111 10.759 1.00 0.00 C ATOM 595 CG PHE A 43 -5.383 -8.780 12.007 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.583 -8.050 13.168 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.655 -10.138 12.019 1.00 0.00 C ATOM 598 CE1 PHE A 43 -6.045 -8.663 14.317 1.00 0.00 C ATOM 599 CE2 PHE A 43 -6.118 -10.756 13.165 1.00 0.00 C ATOM 600 CZ PHE A 43 -6.312 -10.018 14.316 1.00 0.00 C ATOM 0 H PHE A 43 -4.355 -6.657 8.829 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.735 -7.964 9.682 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.492 -8.870 10.081 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.048 -7.457 11.017 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.375 -6.990 13.175 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.503 -10.721 11.122 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.197 -8.083 15.215 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.328 -11.815 13.160 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.672 -10.499 15.213 1.00 0.00 H new ATOM 610 N LEU A 44 -5.866 -5.174 11.209 1.00 0.00 N ATOM 611 CA LEU A 44 -6.346 -4.127 12.103 1.00 0.00 C ATOM 612 C LEU A 44 -7.702 -3.598 11.646 1.00 0.00 C ATOM 613 O LEU A 44 -8.606 -3.395 12.456 1.00 0.00 O ATOM 614 CB LEU A 44 -5.335 -2.981 12.167 1.00 0.00 C ATOM 615 CG LEU A 44 -4.209 -3.135 13.190 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.028 -2.251 12.821 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.709 -2.804 14.589 1.00 0.00 C ATOM 0 H LEU A 44 -4.961 -4.980 10.780 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.462 -4.558 13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.888 -2.862 11.180 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.874 -2.059 12.386 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.876 -4.173 13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.237 -2.374 13.560 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.654 -2.536 11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.346 -1.209 12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.894 -2.919 15.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.070 -1.776 14.613 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.522 -3.480 14.854 1.00 0.00 H new ATOM 629 N TYR A 45 -7.837 -3.380 10.342 1.00 0.00 N ATOM 630 CA TYR A 45 -9.082 -2.876 9.776 1.00 0.00 C ATOM 631 C TYR A 45 -9.812 -3.970 9.004 1.00 0.00 C ATOM 632 O TYR A 45 -10.394 -3.719 7.948 1.00 0.00 O ATOM 633 CB TYR A 45 -8.803 -1.686 8.856 1.00 0.00 C ATOM 634 CG TYR A 45 -8.342 -0.447 9.590 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.179 -0.459 10.350 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.070 0.735 9.523 1.00 0.00 C ATOM 637 CE1 TYR A 45 -6.755 0.671 11.023 1.00 0.00 C ATOM 638 CE2 TYR A 45 -8.652 1.869 10.192 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.494 1.832 10.941 1.00 0.00 C ATOM 640 OH TYR A 45 -7.074 2.959 11.608 1.00 0.00 O ATOM 0 H TYR A 45 -7.099 -3.545 9.657 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.719 -2.550 10.598 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.043 -1.971 8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.708 -1.451 8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.597 -1.366 10.416 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.977 0.767 8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.849 0.645 11.610 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.229 2.780 10.129 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.706 3.690 11.445 1.00 0.00 H new ATOM 650 N HIS A 46 -9.778 -5.186 9.540 1.00 0.00 N ATOM 651 CA HIS A 46 -10.438 -6.321 8.903 1.00 0.00 C ATOM 652 C HIS A 46 -11.912 -6.020 8.649 1.00 0.00 C ATOM 653 O HIS A 46 -12.594 -5.402 9.466 1.00 0.00 O ATOM 654 CB HIS A 46 -10.303 -7.571 9.774 1.00 0.00 C ATOM 655 CG HIS A 46 -10.272 -8.846 8.990 1.00 0.00 C ATOM 656 ND1 HIS A 46 -11.226 -9.833 9.119 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.394 -9.294 8.061 1.00 0.00 C ATOM 658 CE1 HIS A 46 -10.937 -10.832 8.306 1.00 0.00 C ATOM 659 NE2 HIS A 46 -9.829 -10.530 7.652 1.00 0.00 N ATOM 0 H HIS A 46 -9.301 -5.411 10.413 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.952 -6.501 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.390 -7.495 10.365 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.136 -7.606 10.476 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.515 -8.775 7.708 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -11.509 -11.741 8.194 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.372 -11.119 6.957 1.00 0.00 H new ATOM 667 N PRO A 47 -12.415 -6.465 7.488 1.00 0.00 N ATOM 668 CA PRO A 47 -13.813 -6.255 7.099 1.00 0.00 C ATOM 669 C PRO A 47 -14.780 -7.075 7.947 1.00 0.00 C ATOM 670 O PRO A 47 -15.971 -6.768 8.018 1.00 0.00 O ATOM 671 CB PRO A 47 -13.850 -6.722 5.642 1.00 0.00 C ATOM 672 CG PRO A 47 -12.729 -7.697 5.529 1.00 0.00 C ATOM 673 CD PRO A 47 -11.660 -7.209 6.466 1.00 0.00 C ATOM 0 HA PRO A 47 -14.123 -5.219 7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.805 -7.187 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.719 -5.886 4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.056 -8.701 5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.357 -7.748 4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.100 -8.036 6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.939 -6.571 5.955 1.00 0.00 H new ATOM 681 N ASP A 48 -14.262 -8.117 8.587 1.00 0.00 N ATOM 682 CA ASP A 48 -15.079 -8.980 9.431 1.00 0.00 C ATOM 683 C ASP A 48 -15.452 -8.274 10.731 1.00 0.00 C ATOM 684 O ASP A 48 -16.543 -8.471 11.265 1.00 0.00 O ATOM 685 CB ASP A 48 -14.336 -10.281 9.738 1.00 0.00 C ATOM 686 CG ASP A 48 -15.110 -11.181 10.681 1.00 0.00 C ATOM 687 OD1 ASP A 48 -16.354 -11.218 10.579 1.00 0.00 O ATOM 688 OD2 ASP A 48 -14.471 -11.849 11.521 1.00 0.00 O ATOM 0 H ASP A 48 -13.279 -8.385 8.537 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.996 -9.213 8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.144 -10.815 8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.366 -10.047 10.178 1.00 0.00 H new ATOM 693 N ARG A 49 -14.537 -7.452 11.235 1.00 0.00 N ATOM 694 CA ARG A 49 -14.769 -6.719 12.474 1.00 0.00 C ATOM 695 C ARG A 49 -15.732 -5.557 12.246 1.00 0.00 C ATOM 696 O ARG A 49 -16.705 -5.392 12.979 1.00 0.00 O ATOM 697 CB ARG A 49 -13.446 -6.196 13.037 1.00 0.00 C ATOM 698 CG ARG A 49 -12.637 -7.252 13.772 1.00 0.00 C ATOM 699 CD ARG A 49 -13.276 -7.616 15.103 1.00 0.00 C ATOM 700 NE ARG A 49 -12.818 -6.750 16.185 1.00 0.00 N ATOM 701 CZ ARG A 49 -13.401 -6.693 17.378 1.00 0.00 C ATOM 702 NH1 ARG A 49 -14.459 -7.449 17.639 1.00 0.00 N ATOM 703 NH2 ARG A 49 -12.925 -5.879 18.312 1.00 0.00 N ATOM 0 H ARG A 49 -13.629 -7.277 10.805 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.217 -7.404 13.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.847 -5.795 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.652 -5.369 13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.552 -8.144 13.152 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.625 -6.884 13.941 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.360 -7.545 15.016 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.043 -8.653 15.345 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.006 -6.156 16.016 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.827 -8.076 16.923 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.905 -7.404 18.555 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.111 -5.297 18.114 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.373 -5.836 19.227 1.00 0.00 H new ATOM 717 N ASN A 50 -15.451 -4.755 11.224 1.00 0.00 N ATOM 718 CA ASN A 50 -16.291 -3.608 10.900 1.00 0.00 C ATOM 719 C ASN A 50 -17.582 -4.054 10.219 1.00 0.00 C ATOM 720 O ASN A 50 -18.659 -3.532 10.506 1.00 0.00 O ATOM 721 CB ASN A 50 -15.534 -2.634 9.994 1.00 0.00 C ATOM 722 CG ASN A 50 -14.416 -1.915 10.724 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.613 -0.828 11.267 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.235 -2.522 10.741 1.00 0.00 N ATOM 0 H ASN A 50 -14.649 -4.878 10.606 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.548 -3.103 11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.119 -3.179 9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.232 -1.900 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.445 -2.087 11.218 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.118 -3.423 10.277 1.00 0.00 H new ATOM 731 N SER A 51 -17.465 -5.022 9.317 1.00 0.00 N ATOM 732 CA SER A 51 -18.621 -5.537 8.593 1.00 0.00 C ATOM 733 C SER A 51 -19.446 -4.396 8.006 1.00 0.00 C ATOM 734 O SER A 51 -20.672 -4.384 8.109 1.00 0.00 O ATOM 735 CB SER A 51 -19.492 -6.387 9.520 1.00 0.00 C ATOM 736 OG SER A 51 -20.286 -7.298 8.779 1.00 0.00 O ATOM 0 H SER A 51 -16.581 -5.466 9.070 1.00 0.00 H new ATOM 0 HA SER A 51 -18.259 -6.159 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.859 -6.935 10.218 1.00 0.00 H new ATOM 0 HB3 SER A 51 -20.136 -5.739 10.115 1.00 0.00 H new ATOM 0 HG SER A 51 -20.832 -7.831 9.394 1.00 0.00 H new ATOM 742 N GLY A 52 -18.763 -3.436 7.389 1.00 0.00 N ATOM 743 CA GLY A 52 -19.448 -2.304 6.794 1.00 0.00 C ATOM 744 C GLY A 52 -19.207 -1.015 7.556 1.00 0.00 C ATOM 745 O GLY A 52 -19.538 -0.913 8.737 1.00 0.00 O ATOM 0 H GLY A 52 -17.748 -3.423 7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -19.114 -2.181 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -20.518 -2.508 6.760 1.00 0.00 H new ATOM 749 N SER A 53 -18.626 -0.029 6.879 1.00 0.00 N ATOM 750 CA SER A 53 -18.336 1.257 7.501 1.00 0.00 C ATOM 751 C SER A 53 -18.102 2.331 6.443 1.00 0.00 C ATOM 752 O SER A 53 -17.724 2.031 5.311 1.00 0.00 O ATOM 753 CB SER A 53 -17.109 1.143 8.408 1.00 0.00 C ATOM 754 OG SER A 53 -17.087 2.185 9.368 1.00 0.00 O ATOM 0 H SER A 53 -18.347 -0.097 5.900 1.00 0.00 H new ATOM 0 HA SER A 53 -19.198 1.545 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 53 -17.115 0.178 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.202 1.181 7.805 1.00 0.00 H new ATOM 0 HG SER A 53 -16.295 2.089 9.937 1.00 0.00 H new ATOM 760 N ALA A 54 -18.329 3.585 6.821 1.00 0.00 N ATOM 761 CA ALA A 54 -18.141 4.705 5.907 1.00 0.00 C ATOM 762 C ALA A 54 -16.694 5.187 5.919 1.00 0.00 C ATOM 763 O ALA A 54 -16.073 5.339 4.868 1.00 0.00 O ATOM 764 CB ALA A 54 -19.082 5.844 6.268 1.00 0.00 C ATOM 0 H ALA A 54 -18.643 3.851 7.754 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.373 4.362 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.931 6.674 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.114 5.499 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.877 6.177 7.285 1.00 0.00 H new ATOM 770 N GLU A 55 -16.165 5.426 7.115 1.00 0.00 N ATOM 771 CA GLU A 55 -14.791 5.893 7.262 1.00 0.00 C ATOM 772 C GLU A 55 -13.806 4.734 7.132 1.00 0.00 C ATOM 773 O GLU A 55 -12.802 4.836 6.428 1.00 0.00 O ATOM 774 CB GLU A 55 -14.606 6.584 8.615 1.00 0.00 C ATOM 775 CG GLU A 55 -15.434 7.849 8.770 1.00 0.00 C ATOM 776 CD GLU A 55 -15.057 8.920 7.764 1.00 0.00 C ATOM 777 OE1 GLU A 55 -14.149 9.723 8.066 1.00 0.00 O ATOM 778 OE2 GLU A 55 -15.669 8.955 6.677 1.00 0.00 O ATOM 0 H GLU A 55 -16.666 5.304 7.995 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.590 6.609 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.872 5.886 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.552 6.831 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.490 7.604 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.305 8.242 9.779 1.00 0.00 H new ATOM 785 N ALA A 56 -14.102 3.635 7.817 1.00 0.00 N ATOM 786 CA ALA A 56 -13.244 2.457 7.777 1.00 0.00 C ATOM 787 C ALA A 56 -13.085 1.941 6.351 1.00 0.00 C ATOM 788 O ALA A 56 -12.057 1.361 6.002 1.00 0.00 O ATOM 789 CB ALA A 56 -13.806 1.364 8.676 1.00 0.00 C ATOM 0 H ALA A 56 -14.929 3.535 8.406 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.258 2.744 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.156 0.490 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.861 1.729 9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.804 1.089 8.334 1.00 0.00 H new ATOM 795 N ALA A 57 -14.109 2.156 5.532 1.00 0.00 N ATOM 796 CA ALA A 57 -14.081 1.714 4.143 1.00 0.00 C ATOM 797 C ALA A 57 -13.073 2.519 3.330 1.00 0.00 C ATOM 798 O ALA A 57 -12.099 1.971 2.816 1.00 0.00 O ATOM 799 CB ALA A 57 -15.468 1.825 3.526 1.00 0.00 C ATOM 0 H ALA A 57 -14.968 2.633 5.806 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.770 0.670 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.433 1.492 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.166 1.200 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.801 2.862 3.563 1.00 0.00 H new ATOM 805 N GLU A 58 -13.314 3.822 3.219 1.00 0.00 N ATOM 806 CA GLU A 58 -12.427 4.701 2.467 1.00 0.00 C ATOM 807 C GLU A 58 -10.984 4.554 2.943 1.00 0.00 C ATOM 808 O GLU A 58 -10.044 4.698 2.162 1.00 0.00 O ATOM 809 CB GLU A 58 -12.876 6.156 2.606 1.00 0.00 C ATOM 810 CG GLU A 58 -12.866 6.662 4.039 1.00 0.00 C ATOM 811 CD GLU A 58 -13.143 8.150 4.135 1.00 0.00 C ATOM 812 OE1 GLU A 58 -12.515 8.920 3.379 1.00 0.00 O ATOM 813 OE2 GLU A 58 -13.988 8.543 4.966 1.00 0.00 O ATOM 0 H GLU A 58 -14.116 4.291 3.640 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.476 4.413 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.225 6.788 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.883 6.257 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.614 6.119 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.897 6.447 4.489 1.00 0.00 H new ATOM 820 N ARG A 59 -10.819 4.268 4.231 1.00 0.00 N ATOM 821 CA ARG A 59 -9.492 4.104 4.812 1.00 0.00 C ATOM 822 C ARG A 59 -8.917 2.731 4.476 1.00 0.00 C ATOM 823 O ARG A 59 -7.702 2.566 4.362 1.00 0.00 O ATOM 824 CB ARG A 59 -9.551 4.286 6.330 1.00 0.00 C ATOM 825 CG ARG A 59 -8.218 4.057 7.023 1.00 0.00 C ATOM 826 CD ARG A 59 -8.112 4.866 8.307 1.00 0.00 C ATOM 827 NE ARG A 59 -8.255 6.299 8.064 1.00 0.00 N ATOM 828 CZ ARG A 59 -8.094 7.224 9.004 1.00 0.00 C ATOM 829 NH1 ARG A 59 -7.786 6.867 10.243 1.00 0.00 N ATOM 830 NH2 ARG A 59 -8.241 8.508 8.705 1.00 0.00 N ATOM 0 H ARG A 59 -11.587 4.145 4.891 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.840 4.866 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.898 5.295 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.288 3.597 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.101 2.997 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.405 4.331 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.881 4.538 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.149 4.673 8.779 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.491 6.607 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.672 5.881 10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.663 7.579 10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.478 8.786 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.117 9.217 9.427 1.00 0.00 H new ATOM 844 N PHE A 60 -9.798 1.748 4.320 1.00 0.00 N ATOM 845 CA PHE A 60 -9.378 0.389 3.998 1.00 0.00 C ATOM 846 C PHE A 60 -8.821 0.313 2.580 1.00 0.00 C ATOM 847 O PHE A 60 -7.761 -0.270 2.347 1.00 0.00 O ATOM 848 CB PHE A 60 -10.554 -0.579 4.149 1.00 0.00 C ATOM 849 CG PHE A 60 -10.144 -2.024 4.141 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.292 -2.522 5.113 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.612 -2.885 3.161 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.914 -3.851 5.109 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.237 -4.215 3.152 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.386 -4.699 4.126 1.00 0.00 C ATOM 0 H PHE A 60 -10.807 1.867 4.411 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.589 0.104 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -11.075 -0.362 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -11.263 -0.406 3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.919 -1.864 5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.277 -2.512 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.250 -4.226 5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.609 -4.876 2.383 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.090 -5.738 4.119 1.00 0.00 H new ATOM 864 N THR A 61 -9.542 0.906 1.634 1.00 0.00 N ATOM 865 CA THR A 61 -9.122 0.905 0.239 1.00 0.00 C ATOM 866 C THR A 61 -7.788 1.622 0.066 1.00 0.00 C ATOM 867 O THR A 61 -6.913 1.158 -0.667 1.00 0.00 O ATOM 868 CB THR A 61 -10.173 1.576 -0.665 1.00 0.00 C ATOM 869 OG1 THR A 61 -10.060 1.076 -2.002 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.999 3.087 -0.667 1.00 0.00 C ATOM 0 H THR A 61 -10.421 1.394 1.809 1.00 0.00 H new ATOM 0 HA THR A 61 -9.012 -0.138 -0.057 1.00 0.00 H new ATOM 0 HB THR A 61 -11.162 1.340 -0.272 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.733 1.506 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.752 3.539 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.114 3.468 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.005 3.338 -1.038 1.00 0.00 H new ATOM 878 N ARG A 62 -7.637 2.754 0.745 1.00 0.00 N ATOM 879 CA ARG A 62 -6.409 3.535 0.666 1.00 0.00 C ATOM 880 C ARG A 62 -5.199 2.686 1.046 1.00 0.00 C ATOM 881 O ARG A 62 -4.215 2.625 0.309 1.00 0.00 O ATOM 882 CB ARG A 62 -6.496 4.757 1.582 1.00 0.00 C ATOM 883 CG ARG A 62 -7.301 5.904 0.993 1.00 0.00 C ATOM 884 CD ARG A 62 -7.328 7.104 1.927 1.00 0.00 C ATOM 885 NE ARG A 62 -8.554 7.883 1.782 1.00 0.00 N ATOM 886 CZ ARG A 62 -8.653 9.166 2.113 1.00 0.00 C ATOM 887 NH1 ARG A 62 -7.604 9.810 2.603 1.00 0.00 N ATOM 888 NH2 ARG A 62 -9.804 9.806 1.952 1.00 0.00 N ATOM 0 H ARG A 62 -8.350 3.151 1.356 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.287 3.870 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.944 4.459 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.488 5.108 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.871 6.197 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.320 5.571 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.235 6.763 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.467 7.741 1.723 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.380 7.417 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.718 9.321 2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.683 10.795 2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.613 9.313 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.880 10.791 2.206 1.00 0.00 H new ATOM 902 N ILE A 63 -5.280 2.034 2.201 1.00 0.00 N ATOM 903 CA ILE A 63 -4.193 1.189 2.678 1.00 0.00 C ATOM 904 C ILE A 63 -3.685 0.270 1.572 1.00 0.00 C ATOM 905 O ILE A 63 -2.481 0.171 1.338 1.00 0.00 O ATOM 906 CB ILE A 63 -4.632 0.332 3.881 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.007 1.229 5.063 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.526 -0.636 4.273 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.829 0.523 6.119 1.00 0.00 C ATOM 0 H ILE A 63 -6.087 2.075 2.823 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.389 1.856 2.991 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.510 -0.247 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.096 1.614 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.566 2.089 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.851 -1.234 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.302 -1.293 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.631 -0.076 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.059 1.218 6.926 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.757 0.162 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.264 -0.320 6.516 1.00 0.00 H new ATOM 921 N SER A 64 -4.612 -0.400 0.895 1.00 0.00 N ATOM 922 CA SER A 64 -4.258 -1.313 -0.186 1.00 0.00 C ATOM 923 C SER A 64 -3.438 -0.597 -1.255 1.00 0.00 C ATOM 924 O SER A 64 -2.492 -1.160 -1.806 1.00 0.00 O ATOM 925 CB SER A 64 -5.520 -1.911 -0.811 1.00 0.00 C ATOM 926 OG SER A 64 -5.949 -3.057 -0.096 1.00 0.00 O ATOM 0 H SER A 64 -5.613 -0.328 1.076 1.00 0.00 H new ATOM 0 HA SER A 64 -3.653 -2.117 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.314 -1.165 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.324 -2.179 -1.849 1.00 0.00 H new ATOM 0 HG SER A 64 -6.758 -3.420 -0.514 1.00 0.00 H new ATOM 932 N GLN A 65 -3.808 0.646 -1.542 1.00 0.00 N ATOM 933 CA GLN A 65 -3.107 1.439 -2.545 1.00 0.00 C ATOM 934 C GLN A 65 -1.627 1.567 -2.202 1.00 0.00 C ATOM 935 O GLN A 65 -0.762 1.343 -3.048 1.00 0.00 O ATOM 936 CB GLN A 65 -3.738 2.828 -2.660 1.00 0.00 C ATOM 937 CG GLN A 65 -5.237 2.796 -2.915 1.00 0.00 C ATOM 938 CD GLN A 65 -5.734 4.039 -3.626 1.00 0.00 C ATOM 939 OE1 GLN A 65 -5.199 4.431 -4.664 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.763 4.668 -3.070 1.00 0.00 N ATOM 0 H GLN A 65 -4.589 1.126 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.196 0.927 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.546 3.382 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.252 3.373 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.481 1.918 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.761 2.691 -1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.176 4.308 -2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.140 5.511 -3.504 1.00 0.00 H new ATOM 949 N ALA A 66 -1.343 1.929 -0.955 1.00 0.00 N ATOM 950 CA ALA A 66 0.033 2.085 -0.499 1.00 0.00 C ATOM 951 C ALA A 66 0.850 0.828 -0.780 1.00 0.00 C ATOM 952 O ALA A 66 2.067 0.893 -0.951 1.00 0.00 O ATOM 953 CB ALA A 66 0.062 2.415 0.986 1.00 0.00 C ATOM 0 H ALA A 66 -2.048 2.120 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 66 0.482 2.910 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.095 2.529 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.479 3.345 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.410 1.608 1.547 1.00 0.00 H new ATOM 959 N TYR A 67 0.173 -0.314 -0.825 1.00 0.00 N ATOM 960 CA TYR A 67 0.838 -1.586 -1.082 1.00 0.00 C ATOM 961 C TYR A 67 1.020 -1.813 -2.579 1.00 0.00 C ATOM 962 O TYR A 67 1.274 -2.933 -3.023 1.00 0.00 O ATOM 963 CB TYR A 67 0.034 -2.737 -0.474 1.00 0.00 C ATOM 964 CG TYR A 67 0.808 -4.033 -0.380 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.103 -4.056 0.123 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.245 -5.233 -0.795 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.814 -5.237 0.211 1.00 0.00 C ATOM 968 CE2 TYR A 67 0.948 -6.419 -0.709 1.00 0.00 C ATOM 969 CZ TYR A 67 2.232 -6.416 -0.206 1.00 0.00 C ATOM 970 OH TYR A 67 2.937 -7.595 -0.121 1.00 0.00 O ATOM 0 H TYR A 67 -0.835 -0.385 -0.687 1.00 0.00 H new ATOM 0 HA TYR A 67 1.823 -1.553 -0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.299 -2.449 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.861 -2.901 -1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.562 -3.135 0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.759 -5.239 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.820 -5.237 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.494 -7.344 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 67 2.384 -8.332 -0.454 1.00 0.00 H new ATOM 980 N VAL A 68 0.888 -0.741 -3.354 1.00 0.00 N ATOM 981 CA VAL A 68 1.039 -0.821 -4.802 1.00 0.00 C ATOM 982 C VAL A 68 2.285 -0.074 -5.266 1.00 0.00 C ATOM 983 O VAL A 68 3.278 -0.686 -5.660 1.00 0.00 O ATOM 984 CB VAL A 68 -0.191 -0.245 -5.527 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.082 -0.472 -7.027 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.470 -0.860 -4.978 1.00 0.00 C ATOM 0 H VAL A 68 0.677 0.193 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 68 1.137 -1.877 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.226 0.830 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.960 -0.058 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.814 0.020 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.021 -1.541 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.329 -0.441 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.447 -1.940 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.552 -0.640 -3.914 1.00 0.00 H new ATOM 996 N VAL A 69 2.226 1.253 -5.217 1.00 0.00 N ATOM 997 CA VAL A 69 3.350 2.084 -5.631 1.00 0.00 C ATOM 998 C VAL A 69 4.622 1.698 -4.886 1.00 0.00 C ATOM 999 O VAL A 69 5.731 1.889 -5.388 1.00 0.00 O ATOM 1000 CB VAL A 69 3.061 3.578 -5.391 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.247 4.427 -5.822 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.797 4.001 -6.125 1.00 0.00 C ATOM 0 H VAL A 69 1.412 1.776 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 69 3.492 1.916 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 69 2.903 3.733 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.025 5.479 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.128 4.141 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.440 4.270 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.608 5.059 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.924 3.832 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.952 3.415 -5.763 1.00 0.00 H new ATOM 1012 N LEU A 70 4.457 1.153 -3.686 1.00 0.00 N ATOM 1013 CA LEU A 70 5.593 0.738 -2.870 1.00 0.00 C ATOM 1014 C LEU A 70 5.735 -0.780 -2.867 1.00 0.00 C ATOM 1015 O LEU A 70 6.811 -1.313 -2.596 1.00 0.00 O ATOM 1016 CB LEU A 70 5.432 1.250 -1.438 1.00 0.00 C ATOM 1017 CG LEU A 70 4.677 2.570 -1.278 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.603 2.968 0.188 1.00 0.00 C ATOM 1019 CD2 LEU A 70 5.342 3.667 -2.097 1.00 0.00 C ATOM 0 H LEU A 70 3.547 0.988 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 70 6.496 1.168 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.916 0.486 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.424 1.367 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 70 3.661 2.433 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.062 3.910 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.082 2.193 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.611 3.087 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.791 4.599 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.369 3.803 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.343 3.385 -3.150 1.00 0.00 H new ATOM 1031 N GLY A 71 4.642 -1.473 -3.172 1.00 0.00 N ATOM 1032 CA GLY A 71 4.667 -2.924 -3.200 1.00 0.00 C ATOM 1033 C GLY A 71 5.824 -3.468 -4.013 1.00 0.00 C ATOM 1034 O GLY A 71 6.314 -4.567 -3.751 1.00 0.00 O ATOM 0 H GLY A 71 3.740 -1.056 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.734 -3.303 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.729 -3.293 -3.616 1.00 0.00 H new ATOM 1038 N SER A 72 6.263 -2.699 -5.005 1.00 0.00 N ATOM 1039 CA SER A 72 7.367 -3.113 -5.863 1.00 0.00 C ATOM 1040 C SER A 72 8.591 -2.232 -5.635 1.00 0.00 C ATOM 1041 O SER A 72 8.488 -1.137 -5.085 1.00 0.00 O ATOM 1042 CB SER A 72 6.948 -3.055 -7.333 1.00 0.00 C ATOM 1043 OG SER A 72 7.729 -3.936 -8.121 1.00 0.00 O ATOM 0 H SER A 72 5.871 -1.786 -5.234 1.00 0.00 H new ATOM 0 HA SER A 72 7.628 -4.140 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.894 -3.318 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.056 -2.036 -7.705 1.00 0.00 H new ATOM 0 HG SER A 72 7.440 -3.882 -9.056 1.00 0.00 H new ATOM 1049 N ALA A 73 9.751 -2.719 -6.064 1.00 0.00 N ATOM 1050 CA ALA A 73 10.996 -1.977 -5.910 1.00 0.00 C ATOM 1051 C ALA A 73 11.138 -0.913 -6.994 1.00 0.00 C ATOM 1052 O ALA A 73 11.453 0.243 -6.707 1.00 0.00 O ATOM 1053 CB ALA A 73 12.184 -2.926 -5.941 1.00 0.00 C ATOM 0 H ALA A 73 9.854 -3.625 -6.521 1.00 0.00 H new ATOM 0 HA ALA A 73 10.973 -1.474 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.107 -2.358 -5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.096 -3.646 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.202 -3.456 -6.893 1.00 0.00 H new ATOM 1059 N THR A 74 10.904 -1.309 -8.241 1.00 0.00 N ATOM 1060 CA THR A 74 11.007 -0.391 -9.367 1.00 0.00 C ATOM 1061 C THR A 74 10.206 0.882 -9.115 1.00 0.00 C ATOM 1062 O THR A 74 10.737 1.990 -9.205 1.00 0.00 O ATOM 1063 CB THR A 74 10.514 -1.044 -10.672 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.377 -2.127 -11.034 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.467 -0.026 -11.802 1.00 0.00 C ATOM 0 H THR A 74 10.642 -2.261 -8.496 1.00 0.00 H new ATOM 0 HA THR A 74 12.062 -0.138 -9.472 1.00 0.00 H new ATOM 0 HB THR A 74 9.506 -1.424 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.056 -2.538 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.116 -0.510 -12.713 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.786 0.783 -11.535 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.465 0.380 -11.968 1.00 0.00 H new ATOM 1073 N LEU A 75 8.927 0.716 -8.798 1.00 0.00 N ATOM 1074 CA LEU A 75 8.052 1.852 -8.531 1.00 0.00 C ATOM 1075 C LEU A 75 8.689 2.807 -7.526 1.00 0.00 C ATOM 1076 O LEU A 75 8.895 3.985 -7.819 1.00 0.00 O ATOM 1077 CB LEU A 75 6.700 1.368 -8.004 1.00 0.00 C ATOM 1078 CG LEU A 75 5.982 0.322 -8.858 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.895 -0.371 -8.052 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.394 0.966 -10.106 1.00 0.00 C ATOM 0 H LEU A 75 8.473 -0.194 -8.720 1.00 0.00 H new ATOM 0 HA LEU A 75 7.899 2.388 -9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.848 0.954 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.044 2.232 -7.896 1.00 0.00 H new ATOM 0 HG LEU A 75 6.710 -0.428 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.395 -1.112 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.341 -0.865 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.168 0.367 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.887 0.208 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.680 1.737 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.194 1.415 -10.695 1.00 0.00 H new ATOM 1092 N ARG A 76 9.002 2.290 -6.343 1.00 0.00 N ATOM 1093 CA ARG A 76 9.617 3.096 -5.295 1.00 0.00 C ATOM 1094 C ARG A 76 10.600 4.101 -5.889 1.00 0.00 C ATOM 1095 O ARG A 76 10.559 5.288 -5.567 1.00 0.00 O ATOM 1096 CB ARG A 76 10.336 2.198 -4.287 1.00 0.00 C ATOM 1097 CG ARG A 76 9.425 1.648 -3.202 1.00 0.00 C ATOM 1098 CD ARG A 76 8.984 2.739 -2.239 1.00 0.00 C ATOM 1099 NE ARG A 76 10.092 3.231 -1.425 1.00 0.00 N ATOM 1100 CZ ARG A 76 10.887 4.230 -1.791 1.00 0.00 C ATOM 1101 NH1 ARG A 76 10.696 4.842 -2.952 1.00 0.00 N ATOM 1102 NH2 ARG A 76 11.874 4.620 -0.995 1.00 0.00 N ATOM 0 H ARG A 76 8.840 1.316 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 76 8.827 3.645 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.797 1.366 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.142 2.763 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.549 1.189 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.945 0.864 -2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.552 3.567 -2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.200 2.353 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 76 10.265 2.783 -0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.937 4.546 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.308 5.609 -3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.023 4.152 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.484 5.387 -1.277 1.00 0.00 H new ATOM 1116 N ARG A 77 11.482 3.616 -6.757 1.00 0.00 N ATOM 1117 CA ARG A 77 12.476 4.471 -7.394 1.00 0.00 C ATOM 1118 C ARG A 77 11.825 5.384 -8.428 1.00 0.00 C ATOM 1119 O ARG A 77 12.126 6.576 -8.498 1.00 0.00 O ATOM 1120 CB ARG A 77 13.560 3.621 -8.060 1.00 0.00 C ATOM 1121 CG ARG A 77 14.648 3.162 -7.102 1.00 0.00 C ATOM 1122 CD ARG A 77 14.256 1.877 -6.389 1.00 0.00 C ATOM 1123 NE ARG A 77 14.509 0.696 -7.210 1.00 0.00 N ATOM 1124 CZ ARG A 77 14.566 -0.539 -6.723 1.00 0.00 C ATOM 1125 NH1 ARG A 77 14.389 -0.753 -5.427 1.00 0.00 N ATOM 1126 NH2 ARG A 77 14.801 -1.562 -7.534 1.00 0.00 N ATOM 0 H ARG A 77 11.528 2.636 -7.035 1.00 0.00 H new ATOM 0 HA ARG A 77 12.933 5.091 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.096 2.746 -8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.016 4.195 -8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.576 3.006 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.840 3.943 -6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.813 1.796 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.199 1.916 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 77 14.650 0.826 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.208 0.031 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.433 -1.702 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.938 -1.401 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.845 -2.510 -7.160 1.00 0.00 H new ATOM 1140 N LYS A 78 10.930 4.817 -9.231 1.00 0.00 N ATOM 1141 CA LYS A 78 10.235 5.579 -10.262 1.00 0.00 C ATOM 1142 C LYS A 78 9.650 6.865 -9.686 1.00 0.00 C ATOM 1143 O LYS A 78 9.980 7.963 -10.133 1.00 0.00 O ATOM 1144 CB LYS A 78 9.122 4.734 -10.886 1.00 0.00 C ATOM 1145 CG LYS A 78 9.635 3.563 -11.706 1.00 0.00 C ATOM 1146 CD LYS A 78 8.652 3.174 -12.798 1.00 0.00 C ATOM 1147 CE LYS A 78 9.364 2.582 -14.004 1.00 0.00 C ATOM 1148 NZ LYS A 78 9.822 3.636 -14.951 1.00 0.00 N ATOM 0 H LYS A 78 10.669 3.832 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 78 10.958 5.843 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.476 4.356 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.507 5.371 -11.522 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.594 3.824 -12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.811 2.709 -11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.937 2.451 -12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.082 4.051 -13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.221 1.998 -13.669 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.693 1.896 -14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.572 3.253 -15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.022 3.946 -15.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.192 4.447 -14.415 1.00 0.00 H new ATOM 1162 N TYR A 79 8.780 6.720 -8.692 1.00 0.00 N ATOM 1163 CA TYR A 79 8.149 7.870 -8.057 1.00 0.00 C ATOM 1164 C TYR A 79 9.173 8.962 -7.763 1.00 0.00 C ATOM 1165 O TYR A 79 8.854 10.151 -7.785 1.00 0.00 O ATOM 1166 CB TYR A 79 7.454 7.446 -6.762 1.00 0.00 C ATOM 1167 CG TYR A 79 6.472 8.469 -6.237 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.289 8.736 -6.915 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.728 9.170 -5.065 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.389 9.671 -6.440 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.834 10.105 -4.582 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.666 10.353 -5.273 1.00 0.00 C ATOM 1173 OH TYR A 79 3.773 11.284 -4.796 1.00 0.00 O ATOM 0 H TYR A 79 8.496 5.818 -8.309 1.00 0.00 H new ATOM 0 HA TYR A 79 7.406 8.271 -8.747 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.930 6.506 -6.932 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.210 7.256 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.069 8.204 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.642 8.980 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.474 9.867 -6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.048 10.639 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 79 2.864 11.031 -5.061 1.00 0.00 H new ATOM 1183 N ASP A 80 10.406 8.548 -7.488 1.00 0.00 N ATOM 1184 CA ASP A 80 11.479 9.490 -7.191 1.00 0.00 C ATOM 1185 C ASP A 80 11.910 10.237 -8.450 1.00 0.00 C ATOM 1186 O ASP A 80 12.129 11.448 -8.420 1.00 0.00 O ATOM 1187 CB ASP A 80 12.676 8.756 -6.584 1.00 0.00 C ATOM 1188 CG ASP A 80 13.497 9.644 -5.670 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.970 10.059 -4.617 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.666 9.926 -6.009 1.00 0.00 O ATOM 0 H ASP A 80 10.686 7.568 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 80 11.103 10.216 -6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.322 7.891 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.311 8.378 -7.385 1.00 0.00 H new ATOM 1195 N ARG A 81 12.031 9.506 -9.553 1.00 0.00 N ATOM 1196 CA ARG A 81 12.438 10.099 -10.821 1.00 0.00 C ATOM 1197 C ARG A 81 11.234 10.666 -11.568 1.00 0.00 C ATOM 1198 O ARG A 81 11.364 11.174 -12.681 1.00 0.00 O ATOM 1199 CB ARG A 81 13.148 9.059 -11.691 1.00 0.00 C ATOM 1200 CG ARG A 81 13.972 8.061 -10.895 1.00 0.00 C ATOM 1201 CD ARG A 81 15.088 8.748 -10.125 1.00 0.00 C ATOM 1202 NE ARG A 81 15.931 9.565 -10.994 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.907 9.070 -11.747 1.00 0.00 C ATOM 1204 NH1 ARG A 81 17.162 7.769 -11.737 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.631 9.878 -12.512 1.00 0.00 N ATOM 0 H ARG A 81 11.853 8.502 -9.594 1.00 0.00 H new ATOM 0 HA ARG A 81 13.128 10.915 -10.606 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.404 8.519 -12.276 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.799 9.573 -12.399 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.325 7.526 -10.200 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.398 7.319 -11.570 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.657 9.375 -9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.701 7.996 -9.628 1.00 0.00 H new ATOM 0 HE ARG A 81 15.761 10.570 -11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.608 7.145 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.912 7.392 -12.316 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.438 10.880 -12.522 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.380 9.497 -13.090 1.00 0.00 H new ATOM 1219 N GLY A 82 10.062 10.574 -10.947 1.00 0.00 N ATOM 1220 CA GLY A 82 8.852 11.080 -11.567 1.00 0.00 C ATOM 1221 C GLY A 82 8.407 10.236 -12.745 1.00 0.00 C ATOM 1222 O GLY A 82 7.585 10.669 -13.554 1.00 0.00 O ATOM 0 H GLY A 82 9.929 10.158 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.054 11.113 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.019 12.104 -11.900 1.00 0.00 H new ATOM 1226 N LEU A 83 8.952 9.029 -12.845 1.00 0.00 N ATOM 1227 CA LEU A 83 8.608 8.122 -13.935 1.00 0.00 C ATOM 1228 C LEU A 83 7.234 7.499 -13.711 1.00 0.00 C ATOM 1229 O LEU A 83 6.614 6.985 -14.643 1.00 0.00 O ATOM 1230 CB LEU A 83 9.665 7.023 -14.063 1.00 0.00 C ATOM 1231 CG LEU A 83 11.088 7.492 -14.364 1.00 0.00 C ATOM 1232 CD1 LEU A 83 12.104 6.515 -13.792 1.00 0.00 C ATOM 1233 CD2 LEU A 83 11.290 7.658 -15.863 1.00 0.00 C ATOM 0 H LEU A 83 9.634 8.655 -12.185 1.00 0.00 H new ATOM 0 HA LEU A 83 8.579 8.698 -14.860 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.681 6.452 -13.135 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.355 6.339 -14.853 1.00 0.00 H new ATOM 0 HG LEU A 83 11.239 8.461 -13.889 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.112 6.865 -14.016 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.975 6.447 -12.712 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.954 5.532 -14.238 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.309 7.992 -16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.120 6.703 -16.361 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.586 8.397 -16.245 1.00 0.00 H new ATOM 1245 N LEU A 84 6.762 7.550 -12.470 1.00 0.00 N ATOM 1246 CA LEU A 84 5.459 6.992 -12.124 1.00 0.00 C ATOM 1247 C LEU A 84 4.343 7.984 -12.434 1.00 0.00 C ATOM 1248 O LEU A 84 4.329 9.100 -11.915 1.00 0.00 O ATOM 1249 CB LEU A 84 5.423 6.612 -10.643 1.00 0.00 C ATOM 1250 CG LEU A 84 4.213 5.795 -10.189 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.456 4.311 -10.415 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.902 6.070 -8.725 1.00 0.00 C ATOM 0 H LEU A 84 7.262 7.972 -11.687 1.00 0.00 H new ATOM 0 HA LEU A 84 5.302 6.097 -12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.326 6.046 -10.412 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.460 7.527 -10.053 1.00 0.00 H new ATOM 0 HG LEU A 84 3.351 6.096 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.584 3.745 -10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.628 4.128 -11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.330 3.995 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.038 5.480 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.762 5.798 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.683 7.129 -8.592 1.00 0.00 H new ATOM 1264 N SER A 85 3.407 7.569 -13.282 1.00 0.00 N ATOM 1265 CA SER A 85 2.287 8.421 -13.662 1.00 0.00 C ATOM 1266 C SER A 85 0.959 7.782 -13.268 1.00 0.00 C ATOM 1267 O SER A 85 0.893 6.584 -12.990 1.00 0.00 O ATOM 1268 CB SER A 85 2.311 8.688 -15.168 1.00 0.00 C ATOM 1269 OG SER A 85 3.394 9.531 -15.520 1.00 0.00 O ATOM 0 H SER A 85 3.403 6.647 -13.719 1.00 0.00 H new ATOM 0 HA SER A 85 2.386 9.367 -13.130 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.391 7.744 -15.707 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.372 9.150 -15.473 1.00 0.00 H new ATOM 0 HG SER A 85 3.388 9.685 -16.488 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.095 8.589 -13.246 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.423 8.103 -12.888 1.00 0.00 C ATOM 1277 C ASP A 86 -1.682 6.729 -13.498 1.00 0.00 C ATOM 1278 O ASP A 86 -2.325 5.878 -12.884 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.494 9.091 -13.352 1.00 0.00 C ATOM 1280 CG ASP A 86 -3.843 8.826 -12.713 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -4.375 7.710 -12.891 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -4.365 9.734 -12.034 1.00 0.00 O ATOM 0 H ASP A 86 -0.056 9.583 -13.472 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.469 8.013 -11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.176 10.106 -13.114 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.591 9.034 -14.436 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.177 6.521 -14.710 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.357 5.250 -15.403 1.00 0.00 C ATOM 1289 C GLU A 87 -1.266 4.081 -14.428 1.00 0.00 C ATOM 1290 O GLU A 87 -2.084 3.161 -14.467 1.00 0.00 O ATOM 1291 CB GLU A 87 -0.306 5.093 -16.505 1.00 0.00 C ATOM 1292 CG GLU A 87 -0.505 3.854 -17.363 1.00 0.00 C ATOM 1293 CD GLU A 87 -1.756 3.932 -18.217 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -2.860 3.728 -17.671 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -1.630 4.195 -19.431 1.00 0.00 O ATOM 0 H GLU A 87 -0.641 7.215 -15.232 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.350 5.248 -15.853 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.328 5.975 -17.145 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.683 5.054 -16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.363 3.720 -18.008 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.563 2.976 -16.719 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.267 4.123 -13.554 1.00 0.00 N ATOM 1303 CA ASP A 88 -0.069 3.068 -12.567 1.00 0.00 C ATOM 1304 C ASP A 88 -1.205 3.055 -11.549 1.00 0.00 C ATOM 1305 O ASP A 88 -1.759 2.001 -11.234 1.00 0.00 O ATOM 1306 CB ASP A 88 1.271 3.253 -11.853 1.00 0.00 C ATOM 1307 CG ASP A 88 1.869 1.938 -11.393 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.296 1.146 -12.260 1.00 0.00 O ATOM 1309 OD2 ASP A 88 1.910 1.700 -10.168 1.00 0.00 O ATOM 0 H ASP A 88 0.419 4.877 -13.509 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.064 2.112 -13.090 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.971 3.752 -12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.133 3.907 -10.992 1.00 0.00 H new ATOM 1314 N LEU A 89 -1.546 4.232 -11.037 1.00 0.00 N ATOM 1315 CA LEU A 89 -2.616 4.357 -10.054 1.00 0.00 C ATOM 1316 C LEU A 89 -3.927 3.801 -10.601 1.00 0.00 C ATOM 1317 O LEU A 89 -4.566 2.958 -9.971 1.00 0.00 O ATOM 1318 CB LEU A 89 -2.799 5.822 -9.653 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.578 6.505 -9.034 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.798 8.007 -8.941 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.280 5.922 -7.661 1.00 0.00 C ATOM 0 H LEU A 89 -1.097 5.113 -11.286 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.336 3.778 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.097 6.386 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.624 5.884 -8.943 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.718 6.323 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.920 8.477 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.963 8.413 -9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.670 8.209 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.408 6.420 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.139 6.073 -7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.079 4.855 -7.755 1.00 0.00 H new