USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.478 USER MOD Single : A 27 TYR OH : rot 48:sc= 0.0825 USER MOD Single : A 28 SER OG : rot 37:sc= 0.716 USER MOD Single : A 29 THR OG1 : rot 157:sc= 0.135 USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= 0.108 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -16:sc= 0.483! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -114:sc= 0.536 USER MOD Single : A 37 SER OG : rot -177:sc= -1.65! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0287 (180deg=-0.24) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.022) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.089 USER MOD Single : A 59 THR OG1 : rot -142:sc= 0.217 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.931 (180deg=-1.53!) USER MOD Single : A 66 CYS SG : rot 180:sc= -4.23! USER MOD Single : A 68 ASN : amide:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 74:sc= -1.7! USER MOD Single : A 75 TYR OH : rot 104:sc= 1.07 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -3:sc= 0.0532 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.293 -10.233 7.618 1.00 0.00 N ATOM 103 CA PHE A 13 4.176 -9.905 6.207 1.00 0.00 C ATOM 104 C PHE A 13 5.194 -10.689 5.376 1.00 0.00 C ATOM 105 O PHE A 13 4.831 -11.346 4.402 1.00 0.00 O ATOM 106 CB PHE A 13 4.466 -8.409 6.070 1.00 0.00 C ATOM 107 CG PHE A 13 5.114 -8.021 4.739 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.463 -8.102 4.591 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.340 -7.595 3.705 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.064 -7.741 3.356 1.00 0.00 C ATOM 111 CE2 PHE A 13 4.941 -7.235 2.470 1.00 0.00 C ATOM 112 CZ PHE A 13 6.291 -7.315 2.322 1.00 0.00 C ATOM 0 HA PHE A 13 3.180 -10.160 5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.533 -7.856 6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.120 -8.100 6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.077 -8.441 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.268 -7.531 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.136 -7.805 3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.327 -6.898 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.749 -7.040 1.383 1.00 0.00 H new ATOM 122 N ARG A 14 6.448 -10.594 5.792 1.00 0.00 N ATOM 123 CA ARG A 14 7.521 -11.286 5.098 1.00 0.00 C ATOM 124 C ARG A 14 7.267 -12.794 5.098 1.00 0.00 C ATOM 125 O ARG A 14 7.703 -13.501 4.190 1.00 0.00 O ATOM 126 CB ARG A 14 8.874 -11.003 5.755 1.00 0.00 C ATOM 127 CG ARG A 14 9.860 -12.142 5.490 1.00 0.00 C ATOM 128 CD ARG A 14 11.278 -11.747 5.906 1.00 0.00 C ATOM 129 NE ARG A 14 11.227 -10.676 6.926 1.00 0.00 N ATOM 130 CZ ARG A 14 11.226 -9.357 6.638 1.00 0.00 C ATOM 131 NH1 ARG A 14 11.273 -8.935 5.357 1.00 0.00 N ATOM 132 NH2 ARG A 14 11.178 -8.486 7.629 1.00 0.00 N ATOM 0 H ARG A 14 6.745 -10.048 6.601 1.00 0.00 H new ATOM 0 HA ARG A 14 7.544 -10.918 4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.281 -10.068 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.741 -10.875 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.550 -13.031 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.846 -12.401 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.804 -12.615 6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.839 -11.406 5.036 1.00 0.00 H new ATOM 0 HE ARG A 14 11.190 -10.951 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.310 -9.615 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.272 -7.937 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.142 -8.813 8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.177 -7.486 7.429 1.00 0.00 H new ATOM 146 N LYS A 15 6.563 -13.244 6.127 1.00 0.00 N ATOM 147 CA LYS A 15 6.245 -14.656 6.257 1.00 0.00 C ATOM 148 C LYS A 15 5.548 -15.137 4.983 1.00 0.00 C ATOM 149 O LYS A 15 6.031 -16.048 4.312 1.00 0.00 O ATOM 150 CB LYS A 15 5.439 -14.908 7.532 1.00 0.00 C ATOM 151 CG LYS A 15 4.432 -16.042 7.329 1.00 0.00 C ATOM 152 CD LYS A 15 3.007 -15.496 7.219 1.00 0.00 C ATOM 153 CE LYS A 15 2.035 -16.588 6.768 1.00 0.00 C ATOM 154 NZ LYS A 15 1.389 -17.223 7.938 1.00 0.00 N ATOM 0 H LYS A 15 6.204 -12.655 6.879 1.00 0.00 H new ATOM 0 HA LYS A 15 7.157 -15.244 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.114 -15.159 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.914 -13.998 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.683 -16.599 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.494 -16.742 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.691 -15.098 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.984 -14.669 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.276 -16.159 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.568 -17.340 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.733 -17.962 7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.116 -17.649 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.864 -16.505 8.477 1.00 0.00 H new ATOM 168 N LYS A 16 4.422 -14.503 4.687 1.00 0.00 N ATOM 169 CA LYS A 16 3.653 -14.855 3.506 1.00 0.00 C ATOM 170 C LYS A 16 4.213 -14.104 2.296 1.00 0.00 C ATOM 171 O LYS A 16 4.138 -14.591 1.169 1.00 0.00 O ATOM 172 CB LYS A 16 2.162 -14.610 3.745 1.00 0.00 C ATOM 173 CG LYS A 16 1.308 -15.514 2.853 1.00 0.00 C ATOM 174 CD LYS A 16 1.456 -16.982 3.258 1.00 0.00 C ATOM 175 CE LYS A 16 2.440 -17.708 2.339 1.00 0.00 C ATOM 176 NZ LYS A 16 1.726 -18.678 1.479 1.00 0.00 N ATOM 0 H LYS A 16 4.024 -13.748 5.245 1.00 0.00 H new ATOM 0 HA LYS A 16 3.748 -15.920 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.923 -14.795 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.925 -13.565 3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.262 -15.217 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.605 -15.389 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.802 -17.045 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.484 -17.474 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.970 -16.984 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.190 -18.226 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.408 -19.162 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.240 -19.379 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.027 -18.176 0.896 1.00 0.00 H new ATOM 190 N PHE A 17 4.762 -12.930 2.571 1.00 0.00 N ATOM 191 CA PHE A 17 5.335 -12.107 1.519 1.00 0.00 C ATOM 192 C PHE A 17 6.803 -12.466 1.279 1.00 0.00 C ATOM 193 O PHE A 17 7.596 -11.615 0.879 1.00 0.00 O ATOM 194 CB PHE A 17 5.248 -10.654 1.990 1.00 0.00 C ATOM 195 CG PHE A 17 3.838 -10.063 1.927 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.835 -10.617 2.660 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.587 -8.983 1.138 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.526 -10.068 2.602 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.279 -8.435 1.080 1.00 0.00 C ATOM 200 CZ PHE A 17 1.276 -8.989 1.813 1.00 0.00 C ATOM 0 H PHE A 17 4.822 -12.529 3.507 1.00 0.00 H new ATOM 0 HA PHE A 17 4.793 -12.266 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.611 -10.593 3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.914 -10.044 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.034 -11.474 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.383 -8.543 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.730 -10.507 3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.080 -7.578 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.281 -8.572 1.768 1.00 0.00 H new ATOM 210 N LYS A 18 7.120 -13.726 1.535 1.00 0.00 N ATOM 211 CA LYS A 18 8.478 -14.208 1.352 1.00 0.00 C ATOM 212 C LYS A 18 9.108 -13.502 0.150 1.00 0.00 C ATOM 213 O LYS A 18 10.213 -13.845 -0.268 1.00 0.00 O ATOM 214 CB LYS A 18 8.496 -15.735 1.246 1.00 0.00 C ATOM 215 CG LYS A 18 9.213 -16.359 2.445 1.00 0.00 C ATOM 216 CD LYS A 18 10.731 -16.292 2.271 1.00 0.00 C ATOM 217 CE LYS A 18 11.382 -15.526 3.425 1.00 0.00 C ATOM 218 NZ LYS A 18 12.697 -16.115 3.762 1.00 0.00 N ATOM 0 H LYS A 18 6.459 -14.428 1.868 1.00 0.00 H new ATOM 0 HA LYS A 18 9.088 -13.964 2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.475 -16.112 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.995 -16.033 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.925 -15.837 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.902 -17.397 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.140 -17.301 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.971 -15.806 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.506 -14.479 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.731 -15.551 4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.125 -15.583 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.570 -17.108 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.321 -16.069 2.932 1.00 0.00 H new ATOM 232 N TYR A 19 8.378 -12.527 -0.372 1.00 0.00 N ATOM 233 CA TYR A 19 8.851 -11.769 -1.518 1.00 0.00 C ATOM 234 C TYR A 19 10.097 -10.955 -1.160 1.00 0.00 C ATOM 235 O TYR A 19 10.067 -10.141 -0.239 1.00 0.00 O ATOM 236 CB TYR A 19 7.718 -10.809 -1.886 1.00 0.00 C ATOM 237 CG TYR A 19 8.196 -9.439 -2.372 1.00 0.00 C ATOM 238 CD1 TYR A 19 9.024 -9.347 -3.472 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.799 -8.295 -1.709 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.473 -8.058 -3.929 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.248 -7.006 -2.166 1.00 0.00 C ATOM 242 CZ TYR A 19 9.063 -6.951 -3.253 1.00 0.00 C ATOM 243 OH TYR A 19 9.488 -5.733 -3.685 1.00 0.00 O ATOM 0 H TYR A 19 7.462 -12.245 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 19 9.115 -12.437 -2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.107 -11.266 -2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.076 -10.671 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.335 -10.242 -3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.152 -8.367 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.121 -7.972 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.944 -6.103 -1.657 1.00 0.00 H new ATOM 0 HH TYR A 19 9.116 -5.033 -3.108 1.00 0.00 H new ATOM 253 N ASP A 20 11.162 -11.204 -1.908 1.00 0.00 N ATOM 254 CA ASP A 20 12.415 -10.505 -1.681 1.00 0.00 C ATOM 255 C ASP A 20 12.573 -9.398 -2.726 1.00 0.00 C ATOM 256 O ASP A 20 12.999 -9.658 -3.850 1.00 0.00 O ATOM 257 CB ASP A 20 13.608 -11.454 -1.813 1.00 0.00 C ATOM 258 CG ASP A 20 13.949 -12.244 -0.548 1.00 0.00 C ATOM 259 OD1 ASP A 20 13.062 -12.321 0.330 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.089 -12.752 -0.487 1.00 0.00 O ATOM 0 H ASP A 20 11.183 -11.880 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 20 12.393 -10.093 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.405 -12.159 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.483 -10.875 -2.108 1.00 0.00 H new ATOM 265 N GLY A 21 12.222 -8.188 -2.318 1.00 0.00 N ATOM 266 CA GLY A 21 12.320 -7.041 -3.205 1.00 0.00 C ATOM 267 C GLY A 21 12.629 -5.765 -2.419 1.00 0.00 C ATOM 268 O GLY A 21 12.935 -5.823 -1.229 1.00 0.00 O ATOM 0 H GLY A 21 11.869 -7.976 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.101 -7.215 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.385 -6.918 -3.751 1.00 0.00 H new ATOM 272 N GLU A 22 12.538 -4.642 -3.117 1.00 0.00 N ATOM 273 CA GLU A 22 12.805 -3.354 -2.500 1.00 0.00 C ATOM 274 C GLU A 22 11.491 -2.653 -2.147 1.00 0.00 C ATOM 275 O GLU A 22 10.919 -1.946 -2.975 1.00 0.00 O ATOM 276 CB GLU A 22 13.666 -2.478 -3.411 1.00 0.00 C ATOM 277 CG GLU A 22 13.950 -1.123 -2.759 1.00 0.00 C ATOM 278 CD GLU A 22 14.071 -0.021 -3.814 1.00 0.00 C ATOM 279 OE1 GLU A 22 13.397 -0.159 -4.858 1.00 0.00 O ATOM 280 OE2 GLU A 22 14.833 0.934 -3.553 1.00 0.00 O ATOM 0 H GLU A 22 12.283 -4.598 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 22 13.364 -3.522 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.606 -2.986 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.158 -2.328 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.150 -0.877 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.872 -1.180 -2.180 1.00 0.00 H new ATOM 287 N ILE A 23 11.052 -2.874 -0.916 1.00 0.00 N ATOM 288 CA ILE A 23 9.817 -2.272 -0.444 1.00 0.00 C ATOM 289 C ILE A 23 10.026 -0.767 -0.259 1.00 0.00 C ATOM 290 O ILE A 23 10.717 -0.342 0.665 1.00 0.00 O ATOM 291 CB ILE A 23 9.322 -2.984 0.817 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.016 -3.733 0.547 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.190 -2.003 1.984 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.748 -4.776 1.634 1.00 0.00 C ATOM 0 H ILE A 23 11.529 -3.461 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 23 9.026 -2.396 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 23 10.066 -3.728 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.188 -3.025 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.067 -4.221 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.837 -2.534 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.161 -1.555 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.478 -1.220 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.814 -5.294 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.566 -5.496 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.673 -4.281 2.602 1.00 0.00 H new ATOM 306 N ARG A 24 9.415 -0.004 -1.153 1.00 0.00 N ATOM 307 CA ARG A 24 9.525 1.444 -1.100 1.00 0.00 C ATOM 308 C ARG A 24 8.311 2.094 -1.767 1.00 0.00 C ATOM 309 O ARG A 24 8.044 1.857 -2.944 1.00 0.00 O ATOM 310 CB ARG A 24 10.799 1.926 -1.798 1.00 0.00 C ATOM 311 CG ARG A 24 10.945 3.444 -1.687 1.00 0.00 C ATOM 312 CD ARG A 24 11.681 3.832 -0.402 1.00 0.00 C ATOM 313 NE ARG A 24 11.094 5.067 0.164 1.00 0.00 N ATOM 314 CZ ARG A 24 11.375 5.543 1.395 1.00 0.00 C ATOM 315 NH1 ARG A 24 12.238 4.890 2.202 1.00 0.00 N ATOM 316 NH2 ARG A 24 10.792 6.657 1.800 1.00 0.00 N ATOM 0 H ARG A 24 8.842 -0.361 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 24 9.567 1.734 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.667 1.440 -1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.774 1.635 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.489 3.825 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.960 3.910 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.614 3.022 0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.740 3.986 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 24 10.436 5.591 -0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.683 4.030 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.445 5.257 3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.140 7.144 1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.994 7.030 2.728 1.00 0.00 H new ATOM 330 N VAL A 25 7.608 2.900 -0.985 1.00 0.00 N ATOM 331 CA VAL A 25 6.428 3.585 -1.484 1.00 0.00 C ATOM 332 C VAL A 25 6.846 4.602 -2.548 1.00 0.00 C ATOM 333 O VAL A 25 7.295 5.699 -2.220 1.00 0.00 O ATOM 334 CB VAL A 25 5.658 4.217 -0.323 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.579 5.088 0.535 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.460 5.021 -0.831 1.00 0.00 C ATOM 0 H VAL A 25 7.833 3.094 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 25 5.749 2.877 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 25 5.277 3.411 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.007 5.526 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.384 4.476 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.002 5.884 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.931 5.459 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.808 5.815 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.786 4.363 -1.379 1.00 0.00 H new ATOM 346 N LEU A 26 6.684 4.202 -3.800 1.00 0.00 N ATOM 347 CA LEU A 26 7.039 5.065 -4.914 1.00 0.00 C ATOM 348 C LEU A 26 5.819 5.893 -5.321 1.00 0.00 C ATOM 349 O LEU A 26 5.917 7.107 -5.492 1.00 0.00 O ATOM 350 CB LEU A 26 7.635 4.243 -6.059 1.00 0.00 C ATOM 351 CG LEU A 26 8.665 4.961 -6.934 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.703 4.361 -8.341 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.407 6.469 -6.960 1.00 0.00 C ATOM 0 H LEU A 26 6.311 3.291 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 26 7.817 5.768 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.103 3.354 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.820 3.901 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 26 9.651 4.811 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.443 4.889 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.971 3.306 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.722 4.459 -8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.153 6.955 -7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.412 6.661 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.472 6.867 -5.947 1.00 0.00 H new ATOM 365 N TYR A 27 4.697 5.203 -5.465 1.00 0.00 N ATOM 366 CA TYR A 27 3.459 5.860 -5.849 1.00 0.00 C ATOM 367 C TYR A 27 2.337 5.538 -4.859 1.00 0.00 C ATOM 368 O TYR A 27 1.593 4.577 -5.048 1.00 0.00 O ATOM 369 CB TYR A 27 3.089 5.293 -7.221 1.00 0.00 C ATOM 370 CG TYR A 27 2.730 3.806 -7.204 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.730 2.855 -7.193 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.406 3.416 -7.200 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.392 1.455 -7.178 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.068 2.016 -7.184 1.00 0.00 C ATOM 375 CZ TYR A 27 2.078 1.105 -7.174 1.00 0.00 C ATOM 376 OH TYR A 27 1.759 -0.217 -7.159 1.00 0.00 O ATOM 0 H TYR A 27 4.619 4.196 -5.323 1.00 0.00 H new ATOM 0 HA TYR A 27 3.588 6.942 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.245 5.855 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.925 5.447 -7.904 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.766 3.161 -7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.624 4.160 -7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.165 0.700 -7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.036 1.697 -7.180 1.00 0.00 H new ATOM 0 HH TYR A 27 2.287 -0.673 -6.471 1.00 0.00 H new ATOM 386 N SER A 28 2.252 6.361 -3.824 1.00 0.00 N ATOM 387 CA SER A 28 1.234 6.176 -2.803 1.00 0.00 C ATOM 388 C SER A 28 -0.134 6.593 -3.347 1.00 0.00 C ATOM 389 O SER A 28 -0.387 7.777 -3.560 1.00 0.00 O ATOM 390 CB SER A 28 1.568 6.974 -1.541 1.00 0.00 C ATOM 391 OG SER A 28 0.462 7.046 -0.646 1.00 0.00 O ATOM 0 H SER A 28 2.871 7.157 -3.670 1.00 0.00 H new ATOM 0 HA SER A 28 1.206 5.120 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.415 6.512 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.875 7.982 -1.820 1.00 0.00 H new ATOM 0 HG SER A 28 -0.023 6.195 -0.656 1.00 0.00 H new ATOM 397 N THR A 29 -0.980 5.595 -3.558 1.00 0.00 N ATOM 398 CA THR A 29 -2.316 5.843 -4.073 1.00 0.00 C ATOM 399 C THR A 29 -3.315 5.977 -2.922 1.00 0.00 C ATOM 400 O THR A 29 -3.039 5.548 -1.803 1.00 0.00 O ATOM 401 CB THR A 29 -2.662 4.717 -5.050 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.511 5.340 -6.010 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.545 3.641 -4.414 1.00 0.00 C ATOM 0 H THR A 29 -0.766 4.613 -3.382 1.00 0.00 H new ATOM 0 HA THR A 29 -2.363 6.788 -4.614 1.00 0.00 H new ATOM 0 HB THR A 29 -1.743 4.261 -5.419 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.485 4.832 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.761 2.866 -5.149 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.025 3.200 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.479 4.090 -4.075 1.00 0.00 H new ATOM 411 N LYS A 30 -4.455 6.574 -3.237 1.00 0.00 N ATOM 412 CA LYS A 30 -5.497 6.770 -2.244 1.00 0.00 C ATOM 413 C LYS A 30 -6.592 5.720 -2.445 1.00 0.00 C ATOM 414 O LYS A 30 -6.961 5.412 -3.577 1.00 0.00 O ATOM 415 CB LYS A 30 -6.011 8.210 -2.284 1.00 0.00 C ATOM 416 CG LYS A 30 -7.278 8.364 -1.439 1.00 0.00 C ATOM 417 CD LYS A 30 -8.488 8.683 -2.319 1.00 0.00 C ATOM 418 CE LYS A 30 -9.391 9.723 -1.653 1.00 0.00 C ATOM 419 NZ LYS A 30 -10.505 9.060 -0.938 1.00 0.00 N ATOM 0 H LYS A 30 -4.680 6.929 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.098 6.626 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.239 8.886 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.220 8.497 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.461 7.446 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.137 9.159 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.151 9.055 -3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.055 7.772 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.809 10.324 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.788 10.404 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.406 9.301 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.369 8.029 -0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.524 9.383 0.050 1.00 0.00 H new ATOM 433 N VAL A 31 -7.081 5.200 -1.329 1.00 0.00 N ATOM 434 CA VAL A 31 -8.126 4.191 -1.368 1.00 0.00 C ATOM 435 C VAL A 31 -9.444 4.845 -1.788 1.00 0.00 C ATOM 436 O VAL A 31 -9.757 5.953 -1.354 1.00 0.00 O ATOM 437 CB VAL A 31 -8.216 3.478 -0.018 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.750 2.054 -0.184 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.861 3.476 0.693 1.00 0.00 C ATOM 0 H VAL A 31 -6.773 5.459 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.891 3.426 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.920 4.029 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.804 1.570 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.745 2.088 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.082 1.488 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.953 2.963 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.126 2.961 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.537 4.503 0.862 1.00 0.00 H new ATOM 449 N THR A 32 -10.180 4.132 -2.628 1.00 0.00 N ATOM 450 CA THR A 32 -11.457 4.629 -3.111 1.00 0.00 C ATOM 451 C THR A 32 -12.568 4.307 -2.109 1.00 0.00 C ATOM 452 O THR A 32 -12.665 3.181 -1.626 1.00 0.00 O ATOM 453 CB THR A 32 -11.700 4.036 -4.500 1.00 0.00 C ATOM 454 OG1 THR A 32 -11.029 4.931 -5.382 1.00 0.00 O ATOM 455 CG2 THR A 32 -13.168 4.123 -4.925 1.00 0.00 C ATOM 0 H THR A 32 -9.916 3.214 -2.986 1.00 0.00 H new ATOM 0 HA THR A 32 -11.450 5.715 -3.202 1.00 0.00 H new ATOM 0 HB THR A 32 -11.380 2.994 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.134 4.620 -6.306 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.286 3.688 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.786 3.575 -4.213 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.479 5.167 -4.947 1.00 0.00 H new ATOM 463 N THR A 33 -13.378 5.317 -1.828 1.00 0.00 N ATOM 464 CA THR A 33 -14.479 5.156 -0.893 1.00 0.00 C ATOM 465 C THR A 33 -15.267 3.884 -1.212 1.00 0.00 C ATOM 466 O THR A 33 -16.103 3.453 -0.419 1.00 0.00 O ATOM 467 CB THR A 33 -15.330 6.427 -0.941 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.409 6.155 -0.051 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.007 6.627 -2.298 1.00 0.00 C ATOM 0 H THR A 33 -13.294 6.250 -2.231 1.00 0.00 H new ATOM 0 HA THR A 33 -14.117 5.029 0.127 1.00 0.00 H new ATOM 0 HB THR A 33 -14.705 7.291 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.450 5.193 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.598 7.543 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.247 6.702 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.659 5.779 -2.508 1.00 0.00 H new ATOM 477 N SER A 34 -14.973 3.320 -2.374 1.00 0.00 N ATOM 478 CA SER A 34 -15.644 2.106 -2.807 1.00 0.00 C ATOM 479 C SER A 34 -14.713 0.904 -2.639 1.00 0.00 C ATOM 480 O SER A 34 -14.963 -0.163 -3.197 1.00 0.00 O ATOM 481 CB SER A 34 -16.105 2.220 -4.262 1.00 0.00 C ATOM 482 OG SER A 34 -17.485 1.896 -4.412 1.00 0.00 O ATOM 0 H SER A 34 -14.279 3.681 -3.029 1.00 0.00 H new ATOM 0 HA SER A 34 -16.527 1.964 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.930 3.235 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.507 1.555 -4.885 1.00 0.00 H new ATOM 0 HG SER A 34 -17.741 1.982 -5.354 1.00 0.00 H new ATOM 488 N ILE A 35 -13.658 1.118 -1.866 1.00 0.00 N ATOM 489 CA ILE A 35 -12.687 0.065 -1.617 1.00 0.00 C ATOM 490 C ILE A 35 -13.323 -1.009 -0.732 1.00 0.00 C ATOM 491 O ILE A 35 -14.445 -0.843 -0.257 1.00 0.00 O ATOM 492 CB ILE A 35 -11.397 0.652 -1.041 1.00 0.00 C ATOM 493 CG1 ILE A 35 -10.172 0.116 -1.785 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.306 0.404 0.466 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.343 -0.803 -0.886 1.00 0.00 C ATOM 0 H ILE A 35 -13.454 2.004 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.401 -0.419 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.417 1.732 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.491 -0.430 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.557 0.948 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.380 0.831 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.155 0.872 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.318 -0.669 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.479 -1.170 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.005 -0.248 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.954 -1.647 -0.566 1.00 0.00 H new ATOM 507 N THR A 36 -12.577 -2.087 -0.538 1.00 0.00 N ATOM 508 CA THR A 36 -13.053 -3.189 0.282 1.00 0.00 C ATOM 509 C THR A 36 -13.132 -2.766 1.750 1.00 0.00 C ATOM 510 O THR A 36 -12.123 -2.396 2.348 1.00 0.00 O ATOM 511 CB THR A 36 -12.133 -4.388 0.043 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.623 -5.384 0.937 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.702 -4.131 0.518 1.00 0.00 C ATOM 0 H THR A 36 -11.647 -2.221 -0.934 1.00 0.00 H new ATOM 0 HA THR A 36 -14.067 -3.479 0.005 1.00 0.00 H new ATOM 0 HB THR A 36 -12.124 -4.633 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.948 -5.568 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.091 -5.013 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.288 -3.278 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.706 -3.919 1.587 1.00 0.00 H new ATOM 521 N SER A 37 -14.341 -2.835 2.288 1.00 0.00 N ATOM 522 CA SER A 37 -14.565 -2.464 3.675 1.00 0.00 C ATOM 523 C SER A 37 -15.034 -3.681 4.473 1.00 0.00 C ATOM 524 O SER A 37 -14.819 -3.756 5.682 1.00 0.00 O ATOM 525 CB SER A 37 -15.588 -1.331 3.784 1.00 0.00 C ATOM 526 OG SER A 37 -16.251 -1.090 2.546 1.00 0.00 O ATOM 0 H SER A 37 -15.176 -3.142 1.788 1.00 0.00 H new ATOM 0 HA SER A 37 -13.622 -2.107 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.325 -1.580 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.087 -0.420 4.110 1.00 0.00 H new ATOM 0 HG SER A 37 -16.862 -0.330 2.645 1.00 0.00 H new ATOM 532 N LYS A 38 -15.666 -4.606 3.765 1.00 0.00 N ATOM 533 CA LYS A 38 -16.167 -5.817 4.392 1.00 0.00 C ATOM 534 C LYS A 38 -15.233 -6.982 4.061 1.00 0.00 C ATOM 535 O LYS A 38 -14.822 -7.725 4.951 1.00 0.00 O ATOM 536 CB LYS A 38 -17.624 -6.064 3.993 1.00 0.00 C ATOM 537 CG LYS A 38 -17.709 -6.969 2.763 1.00 0.00 C ATOM 538 CD LYS A 38 -19.163 -7.311 2.434 1.00 0.00 C ATOM 539 CE LYS A 38 -19.701 -6.407 1.323 1.00 0.00 C ATOM 540 NZ LYS A 38 -20.097 -7.212 0.146 1.00 0.00 N ATOM 0 H LYS A 38 -15.842 -4.541 2.763 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.171 -5.710 5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.160 -6.523 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.114 -5.113 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.246 -6.473 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.148 -7.886 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.234 -8.354 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.778 -7.200 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.558 -5.842 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.940 -5.682 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.460 -6.583 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.271 -7.732 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.839 -7.887 0.421 1.00 0.00 H new ATOM 554 N LYS A 39 -14.925 -7.105 2.779 1.00 0.00 N ATOM 555 CA LYS A 39 -14.046 -8.168 2.319 1.00 0.00 C ATOM 556 C LYS A 39 -12.639 -7.935 2.872 1.00 0.00 C ATOM 557 O LYS A 39 -12.058 -6.869 2.673 1.00 0.00 O ATOM 558 CB LYS A 39 -14.097 -8.282 0.794 1.00 0.00 C ATOM 559 CG LYS A 39 -14.256 -9.741 0.359 1.00 0.00 C ATOM 560 CD LYS A 39 -15.717 -10.184 0.450 1.00 0.00 C ATOM 561 CE LYS A 39 -16.460 -9.896 -0.856 1.00 0.00 C ATOM 562 NZ LYS A 39 -16.028 -10.835 -1.915 1.00 0.00 N ATOM 0 H LYS A 39 -15.268 -6.487 2.044 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.382 -9.133 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.928 -7.691 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.185 -7.868 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.899 -9.860 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.638 -10.381 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.764 -11.250 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.207 -9.665 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.535 -9.986 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.269 -8.870 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.747 -10.866 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.123 -10.515 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.911 -11.785 -1.509 1.00 0.00 H new ATOM 576 N TRP A 40 -12.131 -8.950 3.555 1.00 0.00 N ATOM 577 CA TRP A 40 -10.802 -8.869 4.139 1.00 0.00 C ATOM 578 C TRP A 40 -10.157 -10.253 4.038 1.00 0.00 C ATOM 579 O TRP A 40 -10.820 -11.268 4.244 1.00 0.00 O ATOM 580 CB TRP A 40 -10.865 -8.342 5.573 1.00 0.00 C ATOM 581 CG TRP A 40 -11.310 -6.882 5.681 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.195 -6.351 6.535 1.00 0.00 C ATOM 583 CD2 TRP A 40 -10.852 -5.781 4.868 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.341 -4.993 6.333 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.499 -4.636 5.287 1.00 0.00 C ATOM 586 CE3 TRP A 40 -9.923 -5.754 3.813 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.285 -3.380 4.707 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.721 -4.491 3.244 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.364 -3.329 3.654 1.00 0.00 C ATOM 0 H TRP A 40 -12.615 -9.833 3.717 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.183 -8.156 3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.551 -8.964 6.148 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -9.881 -8.446 6.031 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -12.727 -6.914 7.287 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -12.954 -4.367 6.855 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.406 -6.638 3.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.803 -2.498 5.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.016 -4.414 2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.154 -2.391 3.162 1.00 0.00 H new ATOM 600 N GLY A 41 -8.871 -10.249 3.720 1.00 0.00 N ATOM 601 CA GLY A 41 -8.128 -11.491 3.589 1.00 0.00 C ATOM 602 C GLY A 41 -6.967 -11.543 4.584 1.00 0.00 C ATOM 603 O GLY A 41 -6.541 -10.512 5.101 1.00 0.00 O ATOM 0 H GLY A 41 -8.324 -9.405 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.794 -12.337 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.745 -11.584 2.573 1.00 0.00 H new ATOM 607 N THR A 42 -6.488 -12.755 4.822 1.00 0.00 N ATOM 608 CA THR A 42 -5.385 -12.956 5.746 1.00 0.00 C ATOM 609 C THR A 42 -4.162 -12.152 5.299 1.00 0.00 C ATOM 610 O THR A 42 -3.431 -11.614 6.129 1.00 0.00 O ATOM 611 CB THR A 42 -5.120 -14.459 5.847 1.00 0.00 C ATOM 612 OG1 THR A 42 -6.055 -14.913 6.821 1.00 0.00 O ATOM 613 CG2 THR A 42 -3.756 -14.773 6.466 1.00 0.00 C ATOM 0 H THR A 42 -6.844 -13.608 4.391 1.00 0.00 H new ATOM 0 HA THR A 42 -5.631 -12.588 6.742 1.00 0.00 H new ATOM 0 HB THR A 42 -5.180 -14.905 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.953 -15.879 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.618 -15.853 6.514 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.969 -14.334 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.708 -14.356 7.472 1.00 0.00 H new ATOM 621 N ARG A 43 -3.979 -12.094 3.988 1.00 0.00 N ATOM 622 CA ARG A 43 -2.857 -11.365 3.421 1.00 0.00 C ATOM 623 C ARG A 43 -3.304 -9.973 2.969 1.00 0.00 C ATOM 624 O ARG A 43 -2.553 -9.262 2.302 1.00 0.00 O ATOM 625 CB ARG A 43 -2.260 -12.113 2.228 1.00 0.00 C ATOM 626 CG ARG A 43 -0.923 -12.758 2.599 1.00 0.00 C ATOM 627 CD ARG A 43 -0.033 -12.924 1.365 1.00 0.00 C ATOM 628 NE ARG A 43 -0.801 -13.555 0.269 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.243 -14.060 -0.852 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.094 -14.012 -1.034 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.025 -14.601 -1.768 1.00 0.00 N ATOM 0 H ARG A 43 -4.589 -12.540 3.302 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.095 -11.273 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.956 -12.880 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.117 -11.423 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.412 -12.144 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.099 -13.731 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.343 -11.953 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.835 -13.536 1.612 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.815 -13.612 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.691 -13.592 -0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.507 -14.396 -1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.034 -14.633 -1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.620 -14.987 -2.621 1.00 0.00 H new ATOM 645 N ASP A 44 -4.524 -9.625 3.350 1.00 0.00 N ATOM 646 CA ASP A 44 -5.080 -8.331 2.993 1.00 0.00 C ATOM 647 C ASP A 44 -4.998 -7.394 4.200 1.00 0.00 C ATOM 648 O ASP A 44 -4.822 -7.847 5.330 1.00 0.00 O ATOM 649 CB ASP A 44 -6.550 -8.455 2.589 1.00 0.00 C ATOM 650 CG ASP A 44 -6.905 -7.827 1.240 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.966 -6.580 1.193 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.108 -8.609 0.286 1.00 0.00 O ATOM 0 H ASP A 44 -5.144 -10.217 3.903 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.507 -7.939 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.816 -9.512 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.164 -7.991 3.361 1.00 0.00 H new ATOM 657 N LEU A 45 -5.130 -6.106 3.919 1.00 0.00 N ATOM 658 CA LEU A 45 -5.073 -5.102 4.968 1.00 0.00 C ATOM 659 C LEU A 45 -6.496 -4.712 5.372 1.00 0.00 C ATOM 660 O LEU A 45 -7.428 -4.841 4.579 1.00 0.00 O ATOM 661 CB LEU A 45 -4.211 -3.917 4.529 1.00 0.00 C ATOM 662 CG LEU A 45 -3.431 -3.208 5.638 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.313 -4.101 6.179 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.902 -1.855 5.157 1.00 0.00 C ATOM 0 H LEU A 45 -5.276 -5.735 2.980 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.589 -5.506 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.501 -4.267 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.855 -3.186 4.041 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.114 -3.011 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.774 -3.573 6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.743 -5.017 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.624 -4.350 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.351 -1.372 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.239 -2.006 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.738 -1.223 4.859 1.00 0.00 H new ATOM 676 N GLN A 46 -6.620 -4.242 6.605 1.00 0.00 N ATOM 677 CA GLN A 46 -7.914 -3.832 7.123 1.00 0.00 C ATOM 678 C GLN A 46 -8.170 -2.358 6.804 1.00 0.00 C ATOM 679 O GLN A 46 -8.820 -1.655 7.577 1.00 0.00 O ATOM 680 CB GLN A 46 -8.009 -4.092 8.628 1.00 0.00 C ATOM 681 CG GLN A 46 -9.302 -3.511 9.204 1.00 0.00 C ATOM 682 CD GLN A 46 -9.808 -4.355 10.376 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.699 -3.985 11.533 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.365 -5.507 10.012 1.00 0.00 N ATOM 0 H GLN A 46 -5.845 -4.136 7.260 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.685 -4.428 6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.971 -5.165 8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.150 -3.648 9.132 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.129 -2.488 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.064 -3.469 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.424 -5.755 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.733 -6.142 10.720 1.00 0.00 H new ATOM 693 N VAL A 47 -7.646 -1.932 5.664 1.00 0.00 N ATOM 694 CA VAL A 47 -7.810 -0.554 5.234 1.00 0.00 C ATOM 695 C VAL A 47 -9.294 -0.275 4.983 1.00 0.00 C ATOM 696 O VAL A 47 -10.055 -1.188 4.666 1.00 0.00 O ATOM 697 CB VAL A 47 -6.936 -0.281 4.008 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.450 -0.347 4.369 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.268 -1.248 2.871 1.00 0.00 C ATOM 0 H VAL A 47 -7.108 -2.517 5.025 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.477 0.131 6.014 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.152 0.729 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.851 -0.149 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.227 0.400 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.213 -1.339 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.632 -1.032 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.095 -2.272 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.314 -1.130 2.587 1.00 0.00 H new ATOM 709 N LYS A 48 -9.660 0.989 5.135 1.00 0.00 N ATOM 710 CA LYS A 48 -11.039 1.399 4.930 1.00 0.00 C ATOM 711 C LYS A 48 -11.156 2.125 3.588 1.00 0.00 C ATOM 712 O LYS A 48 -10.172 2.661 3.080 1.00 0.00 O ATOM 713 CB LYS A 48 -11.536 2.222 6.120 1.00 0.00 C ATOM 714 CG LYS A 48 -12.625 1.471 6.889 1.00 0.00 C ATOM 715 CD LYS A 48 -12.011 0.513 7.913 1.00 0.00 C ATOM 716 CE LYS A 48 -11.189 1.276 8.953 1.00 0.00 C ATOM 717 NZ LYS A 48 -11.640 0.935 10.321 1.00 0.00 N ATOM 0 H LYS A 48 -9.025 1.743 5.398 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.692 0.528 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.703 2.444 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.927 3.177 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.275 2.184 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.249 0.912 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.802 -0.049 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.376 -0.212 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.133 1.032 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.288 2.349 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.072 1.461 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.642 1.190 10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.523 -0.086 10.481 1.00 0.00 H new ATOM 731 N PRO A 49 -12.399 2.119 3.038 1.00 0.00 N ATOM 732 CA PRO A 49 -12.658 2.770 1.765 1.00 0.00 C ATOM 733 C PRO A 49 -12.698 4.292 1.926 1.00 0.00 C ATOM 734 O PRO A 49 -13.419 4.811 2.776 1.00 0.00 O ATOM 735 CB PRO A 49 -13.978 2.189 1.286 1.00 0.00 C ATOM 736 CG PRO A 49 -14.638 1.586 2.516 1.00 0.00 C ATOM 737 CD PRO A 49 -13.588 1.495 3.611 1.00 0.00 C ATOM 0 HA PRO A 49 -11.871 2.590 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.607 2.961 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.816 1.432 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.476 2.203 2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.039 0.598 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.911 2.014 4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.396 0.459 3.890 1.00 0.00 H new ATOM 745 N GLY A 50 -11.914 4.963 1.095 1.00 0.00 N ATOM 746 CA GLY A 50 -11.851 6.414 1.134 1.00 0.00 C ATOM 747 C GLY A 50 -10.646 6.889 1.948 1.00 0.00 C ATOM 748 O GLY A 50 -10.544 8.068 2.283 1.00 0.00 O ATOM 0 H GLY A 50 -11.317 4.529 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.786 6.806 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.768 6.810 1.571 1.00 0.00 H new ATOM 752 N GLU A 51 -9.762 5.946 2.242 1.00 0.00 N ATOM 753 CA GLU A 51 -8.568 6.254 3.010 1.00 0.00 C ATOM 754 C GLU A 51 -7.365 6.417 2.078 1.00 0.00 C ATOM 755 O GLU A 51 -7.459 6.138 0.884 1.00 0.00 O ATOM 756 CB GLU A 51 -8.302 5.178 4.065 1.00 0.00 C ATOM 757 CG GLU A 51 -8.493 5.735 5.477 1.00 0.00 C ATOM 758 CD GLU A 51 -9.929 5.523 5.961 1.00 0.00 C ATOM 759 OE1 GLU A 51 -10.828 6.154 5.366 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.094 4.733 6.916 1.00 0.00 O ATOM 0 H GLU A 51 -9.849 4.969 1.962 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.729 7.197 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.976 4.336 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.286 4.798 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.799 5.247 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.255 6.799 5.487 1.00 0.00 H new ATOM 767 N SER A 52 -6.263 6.867 2.660 1.00 0.00 N ATOM 768 CA SER A 52 -5.044 7.070 1.897 1.00 0.00 C ATOM 769 C SER A 52 -3.858 6.434 2.625 1.00 0.00 C ATOM 770 O SER A 52 -3.620 6.718 3.798 1.00 0.00 O ATOM 771 CB SER A 52 -4.784 8.559 1.660 1.00 0.00 C ATOM 772 OG SER A 52 -5.258 9.362 2.738 1.00 0.00 O ATOM 0 H SER A 52 -6.189 7.097 3.651 1.00 0.00 H new ATOM 0 HA SER A 52 -5.165 6.590 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.715 8.724 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.271 8.869 0.735 1.00 0.00 H new ATOM 0 HG SER A 52 -5.072 10.306 2.550 1.00 0.00 H new ATOM 778 N LEU A 53 -3.146 5.584 1.899 1.00 0.00 N ATOM 779 CA LEU A 53 -1.991 4.905 2.462 1.00 0.00 C ATOM 780 C LEU A 53 -0.886 4.827 1.406 1.00 0.00 C ATOM 781 O LEU A 53 -1.117 5.135 0.237 1.00 0.00 O ATOM 782 CB LEU A 53 -2.395 3.543 3.031 1.00 0.00 C ATOM 783 CG LEU A 53 -1.810 2.320 2.321 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.761 1.113 3.260 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.578 2.014 1.034 1.00 0.00 C ATOM 0 H LEU A 53 -3.347 5.350 0.927 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.589 5.470 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.098 3.507 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.482 3.468 3.005 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.783 2.549 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.341 0.257 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.137 1.348 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.770 0.873 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.142 1.141 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.622 1.813 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.518 2.870 0.362 1.00 0.00 H new ATOM 797 N GLU A 54 0.290 4.415 1.855 1.00 0.00 N ATOM 798 CA GLU A 54 1.431 4.293 0.964 1.00 0.00 C ATOM 799 C GLU A 54 1.308 3.026 0.115 1.00 0.00 C ATOM 800 O GLU A 54 1.028 1.948 0.639 1.00 0.00 O ATOM 801 CB GLU A 54 2.743 4.302 1.750 1.00 0.00 C ATOM 802 CG GLU A 54 3.416 5.674 1.677 1.00 0.00 C ATOM 803 CD GLU A 54 3.177 6.470 2.962 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.087 6.288 3.548 1.00 0.00 O ATOM 805 OE2 GLU A 54 4.088 7.243 3.329 1.00 0.00 O ATOM 0 H GLU A 54 0.478 4.161 2.825 1.00 0.00 H new ATOM 0 HA GLU A 54 1.440 5.154 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.549 4.043 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.415 3.542 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.487 5.550 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.027 6.229 0.823 1.00 0.00 H new ATOM 812 N VAL A 55 1.525 3.197 -1.181 1.00 0.00 N ATOM 813 CA VAL A 55 1.442 2.080 -2.107 1.00 0.00 C ATOM 814 C VAL A 55 2.855 1.636 -2.491 1.00 0.00 C ATOM 815 O VAL A 55 3.701 2.465 -2.824 1.00 0.00 O ATOM 816 CB VAL A 55 0.587 2.465 -3.316 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.052 1.729 -4.573 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.896 2.204 -3.044 1.00 0.00 C ATOM 0 H VAL A 55 1.758 4.092 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 55 0.950 1.229 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 55 0.713 3.534 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.428 2.021 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.090 1.987 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.970 0.653 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.482 2.486 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.046 1.145 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.218 2.794 -2.186 1.00 0.00 H new ATOM 828 N ILE A 56 3.067 0.330 -2.432 1.00 0.00 N ATOM 829 CA ILE A 56 4.363 -0.234 -2.770 1.00 0.00 C ATOM 830 C ILE A 56 4.384 -0.597 -4.256 1.00 0.00 C ATOM 831 O ILE A 56 3.848 0.136 -5.085 1.00 0.00 O ATOM 832 CB ILE A 56 4.694 -1.407 -1.845 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.389 -1.059 -0.387 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.142 -1.864 -2.035 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.995 -2.095 0.562 1.00 0.00 C ATOM 0 H ILE A 56 2.363 -0.354 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 56 5.152 0.501 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 56 4.054 -2.246 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.786 -0.071 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.310 -1.012 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.351 -2.699 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.291 -2.181 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.817 -1.039 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.764 -1.824 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.577 -3.078 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.076 -2.122 0.428 1.00 0.00 H new ATOM 847 N GLN A 57 5.010 -1.728 -4.547 1.00 0.00 N ATOM 848 CA GLN A 57 5.109 -2.197 -5.919 1.00 0.00 C ATOM 849 C GLN A 57 4.010 -3.220 -6.210 1.00 0.00 C ATOM 850 O GLN A 57 3.475 -3.841 -5.292 1.00 0.00 O ATOM 851 CB GLN A 57 6.493 -2.785 -6.199 1.00 0.00 C ATOM 852 CG GLN A 57 7.222 -1.983 -7.279 1.00 0.00 C ATOM 853 CD GLN A 57 8.098 -0.894 -6.656 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.642 -0.048 -5.905 1.00 0.00 O ATOM 855 NE2 GLN A 57 9.378 -0.962 -7.010 1.00 0.00 N ATOM 0 H GLN A 57 5.454 -2.333 -3.856 1.00 0.00 H new ATOM 0 HA GLN A 57 4.971 -1.345 -6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.083 -2.787 -5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.393 -3.823 -6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.839 -2.652 -7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.495 -1.529 -7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.694 -1.697 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.044 -0.279 -6.648 1.00 0.00 H new ATOM 864 N THR A 58 3.704 -3.365 -7.491 1.00 0.00 N ATOM 865 CA THR A 58 2.678 -4.302 -7.915 1.00 0.00 C ATOM 866 C THR A 58 3.135 -5.741 -7.668 1.00 0.00 C ATOM 867 O THR A 58 4.223 -6.131 -8.090 1.00 0.00 O ATOM 868 CB THR A 58 2.349 -4.012 -9.381 1.00 0.00 C ATOM 869 OG1 THR A 58 3.622 -3.820 -9.991 1.00 0.00 O ATOM 870 CG2 THR A 58 1.640 -2.669 -9.567 1.00 0.00 C ATOM 0 H THR A 58 4.149 -2.849 -8.250 1.00 0.00 H new ATOM 0 HA THR A 58 1.765 -4.179 -7.332 1.00 0.00 H new ATOM 0 HB THR A 58 1.723 -4.811 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.502 -3.628 -10.945 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.429 -2.512 -10.625 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.705 -2.671 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.280 -1.866 -9.202 1.00 0.00 H new ATOM 878 N THR A 59 2.282 -6.491 -6.987 1.00 0.00 N ATOM 879 CA THR A 59 2.585 -7.878 -6.679 1.00 0.00 C ATOM 880 C THR A 59 2.823 -8.670 -7.966 1.00 0.00 C ATOM 881 O THR A 59 3.964 -8.982 -8.305 1.00 0.00 O ATOM 882 CB THR A 59 1.442 -8.434 -5.827 1.00 0.00 C ATOM 883 OG1 THR A 59 1.711 -7.938 -4.519 1.00 0.00 O ATOM 884 CG2 THR A 59 1.513 -9.954 -5.671 1.00 0.00 C ATOM 0 H THR A 59 1.380 -6.164 -6.640 1.00 0.00 H new ATOM 0 HA THR A 59 3.508 -7.963 -6.106 1.00 0.00 H new ATOM 0 HB THR A 59 0.488 -8.160 -6.277 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.485 -8.624 -3.856 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.679 -10.296 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.458 -10.424 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.453 -10.227 -5.191 1.00 0.00 H new ATOM 892 N ASP A 60 1.729 -8.973 -8.649 1.00 0.00 N ATOM 893 CA ASP A 60 1.805 -9.722 -9.891 1.00 0.00 C ATOM 894 C ASP A 60 1.558 -8.777 -11.068 1.00 0.00 C ATOM 895 O ASP A 60 2.492 -8.160 -11.580 1.00 0.00 O ATOM 896 CB ASP A 60 0.742 -10.822 -9.937 1.00 0.00 C ATOM 897 CG ASP A 60 0.488 -11.418 -11.323 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.468 -11.500 -12.094 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.681 -11.778 -11.580 1.00 0.00 O ATOM 0 H ASP A 60 0.784 -8.713 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 60 2.795 -10.174 -9.952 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.041 -11.624 -9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.195 -10.417 -9.555 1.00 0.00 H new ATOM 904 N ASP A 61 0.297 -8.692 -11.463 1.00 0.00 N ATOM 905 CA ASP A 61 -0.084 -7.832 -12.571 1.00 0.00 C ATOM 906 C ASP A 61 -1.051 -6.758 -12.068 1.00 0.00 C ATOM 907 O ASP A 61 -0.795 -5.565 -12.223 1.00 0.00 O ATOM 908 CB ASP A 61 -0.792 -8.628 -13.669 1.00 0.00 C ATOM 909 CG ASP A 61 0.006 -9.806 -14.230 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.235 -9.819 -14.002 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.631 -10.668 -14.874 1.00 0.00 O ATOM 0 H ASP A 61 -0.475 -9.204 -11.036 1.00 0.00 H new ATOM 0 HA ASP A 61 0.823 -7.385 -12.978 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.736 -9.003 -13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.036 -7.951 -14.488 1.00 0.00 H new ATOM 916 N THR A 62 -2.142 -7.220 -11.475 1.00 0.00 N ATOM 917 CA THR A 62 -3.148 -6.314 -10.948 1.00 0.00 C ATOM 918 C THR A 62 -3.233 -6.438 -9.426 1.00 0.00 C ATOM 919 O THR A 62 -4.241 -6.898 -8.891 1.00 0.00 O ATOM 920 CB THR A 62 -4.471 -6.613 -11.656 1.00 0.00 C ATOM 921 OG1 THR A 62 -4.078 -7.206 -12.891 1.00 0.00 O ATOM 922 CG2 THR A 62 -5.213 -5.341 -12.073 1.00 0.00 C ATOM 0 H THR A 62 -2.351 -8.210 -11.348 1.00 0.00 H new ATOM 0 HA THR A 62 -2.885 -5.275 -11.144 1.00 0.00 H new ATOM 0 HB THR A 62 -5.108 -7.206 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.876 -7.433 -13.413 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.145 -5.610 -12.571 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.433 -4.742 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.590 -4.764 -12.756 1.00 0.00 H new ATOM 930 N LYS A 63 -2.161 -6.019 -8.769 1.00 0.00 N ATOM 931 CA LYS A 63 -2.101 -6.078 -7.319 1.00 0.00 C ATOM 932 C LYS A 63 -1.049 -5.087 -6.816 1.00 0.00 C ATOM 933 O LYS A 63 0.076 -5.064 -7.314 1.00 0.00 O ATOM 934 CB LYS A 63 -1.866 -7.515 -6.850 1.00 0.00 C ATOM 935 CG LYS A 63 -1.671 -7.572 -5.333 1.00 0.00 C ATOM 936 CD LYS A 63 -1.696 -9.017 -4.831 1.00 0.00 C ATOM 937 CE LYS A 63 -2.022 -9.072 -3.337 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.482 -9.200 -3.130 1.00 0.00 N ATOM 0 H LYS A 63 -1.327 -5.637 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.055 -5.778 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.714 -8.138 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.988 -7.925 -7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.722 -7.107 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.456 -6.998 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.438 -9.587 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.729 -9.486 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.508 -9.916 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.657 -8.170 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.663 -9.694 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.912 -8.254 -3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.898 -9.743 -3.914 1.00 0.00 H new ATOM 952 N VAL A 64 -1.451 -4.293 -5.835 1.00 0.00 N ATOM 953 CA VAL A 64 -0.557 -3.303 -5.259 1.00 0.00 C ATOM 954 C VAL A 64 -0.442 -3.541 -3.752 1.00 0.00 C ATOM 955 O VAL A 64 -1.451 -3.683 -3.063 1.00 0.00 O ATOM 956 CB VAL A 64 -1.044 -1.894 -5.606 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.319 -1.763 -7.105 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.282 -1.524 -4.787 1.00 0.00 C ATOM 0 H VAL A 64 -2.384 -4.315 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 64 0.443 -3.400 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.250 -1.193 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.664 -0.753 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.404 -1.963 -7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.086 -2.480 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.607 -0.518 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.083 -2.232 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.039 -1.558 -3.725 1.00 0.00 H new ATOM 968 N LEU A 65 0.797 -3.577 -3.284 1.00 0.00 N ATOM 969 CA LEU A 65 1.057 -3.796 -1.871 1.00 0.00 C ATOM 970 C LEU A 65 1.056 -2.451 -1.143 1.00 0.00 C ATOM 971 O LEU A 65 1.864 -1.575 -1.446 1.00 0.00 O ATOM 972 CB LEU A 65 2.347 -4.596 -1.682 1.00 0.00 C ATOM 973 CG LEU A 65 3.010 -4.485 -0.307 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.105 -5.057 0.786 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.392 -5.142 -0.310 1.00 0.00 C ATOM 0 H LEU A 65 1.632 -3.458 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 65 0.266 -4.400 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.131 -5.647 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.065 -4.274 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 65 3.157 -3.428 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.600 -4.966 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.165 -4.505 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.904 -6.108 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.841 -5.049 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.293 -6.197 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.028 -4.649 -1.045 1.00 0.00 H new ATOM 987 N CYS A 66 0.138 -2.328 -0.195 1.00 0.00 N ATOM 988 CA CYS A 66 0.020 -1.104 0.579 1.00 0.00 C ATOM 989 C CYS A 66 0.772 -1.296 1.898 1.00 0.00 C ATOM 990 O CYS A 66 0.991 -2.425 2.333 1.00 0.00 O ATOM 991 CB CYS A 66 -1.443 -0.718 0.808 1.00 0.00 C ATOM 992 SG CYS A 66 -2.303 -0.546 -0.798 1.00 0.00 S ATOM 0 H CYS A 66 -0.531 -3.056 0.054 1.00 0.00 H new ATOM 0 HA CYS A 66 0.463 -0.276 0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.937 -1.476 1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.498 0.219 1.362 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.545 -0.220 -0.593 1.00 0.00 H new ATOM 998 N ARG A 67 1.147 -0.175 2.497 1.00 0.00 N ATOM 999 CA ARG A 67 1.870 -0.206 3.757 1.00 0.00 C ATOM 1000 C ARG A 67 1.276 0.811 4.734 1.00 0.00 C ATOM 1001 O ARG A 67 0.833 1.884 4.327 1.00 0.00 O ATOM 1002 CB ARG A 67 3.354 0.105 3.548 1.00 0.00 C ATOM 1003 CG ARG A 67 4.228 -0.768 4.451 1.00 0.00 C ATOM 1004 CD ARG A 67 5.685 -0.301 4.419 1.00 0.00 C ATOM 1005 NE ARG A 67 5.743 1.178 4.388 1.00 0.00 N ATOM 1006 CZ ARG A 67 6.705 1.884 3.757 1.00 0.00 C ATOM 1007 NH1 ARG A 67 7.700 1.252 3.100 1.00 0.00 N ATOM 1008 NH2 ARG A 67 6.658 3.203 3.794 1.00 0.00 N ATOM 0 H ARG A 67 0.964 0.760 2.133 1.00 0.00 H new ATOM 0 HA ARG A 67 1.775 -1.210 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.621 -0.063 2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.542 1.157 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.852 -0.730 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.168 -1.807 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.215 -0.675 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.188 -0.711 3.543 1.00 0.00 H new ATOM 0 HE ARG A 67 5.010 1.696 4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.729 0.233 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.423 1.794 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.903 3.673 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.377 3.752 3.323 1.00 0.00 H new ATOM 1022 N ASN A 68 1.286 0.437 6.005 1.00 0.00 N ATOM 1023 CA ASN A 68 0.754 1.303 7.044 1.00 0.00 C ATOM 1024 C ASN A 68 1.867 1.647 8.035 1.00 0.00 C ATOM 1025 O ASN A 68 2.687 0.795 8.374 1.00 0.00 O ATOM 1026 CB ASN A 68 -0.370 0.609 7.817 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.189 -0.911 7.801 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.716 -1.615 6.956 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.583 -1.374 8.779 1.00 0.00 N ATOM 0 H ASN A 68 1.654 -0.454 6.339 1.00 0.00 H new ATOM 0 HA ASN A 68 0.362 2.201 6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.383 0.967 8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.333 0.869 7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.765 -2.375 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.993 -0.729 9.454 1.00 0.00 H new ATOM 1036 N GLU A 69 1.861 2.897 8.473 1.00 0.00 N ATOM 1037 CA GLU A 69 2.860 3.365 9.418 1.00 0.00 C ATOM 1038 C GLU A 69 2.875 2.471 10.660 1.00 0.00 C ATOM 1039 O GLU A 69 3.810 2.526 11.457 1.00 0.00 O ATOM 1040 CB GLU A 69 2.614 4.827 9.797 1.00 0.00 C ATOM 1041 CG GLU A 69 3.865 5.673 9.555 1.00 0.00 C ATOM 1042 CD GLU A 69 5.074 5.089 10.290 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.959 4.916 11.523 1.00 0.00 O ATOM 1044 OE2 GLU A 69 6.085 4.829 9.602 1.00 0.00 O ATOM 0 H GLU A 69 1.179 3.601 8.190 1.00 0.00 H new ATOM 0 HA GLU A 69 3.839 3.308 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.784 5.223 9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.325 4.891 10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.074 5.722 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.688 6.694 9.893 1.00 0.00 H new ATOM 1051 N GLU A 70 1.827 1.669 10.785 1.00 0.00 N ATOM 1052 CA GLU A 70 1.708 0.765 11.916 1.00 0.00 C ATOM 1053 C GLU A 70 2.900 -0.194 11.957 1.00 0.00 C ATOM 1054 O GLU A 70 3.083 -0.921 12.932 1.00 0.00 O ATOM 1055 CB GLU A 70 0.387 -0.005 11.866 1.00 0.00 C ATOM 1056 CG GLU A 70 -0.168 -0.234 13.274 1.00 0.00 C ATOM 1057 CD GLU A 70 -0.662 1.078 13.888 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -1.560 1.691 13.271 1.00 0.00 O ATOM 1059 OE2 GLU A 70 -0.132 1.437 14.961 1.00 0.00 O ATOM 0 H GLU A 70 1.053 1.627 10.122 1.00 0.00 H new ATOM 0 HA GLU A 70 1.711 1.357 12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.339 0.549 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.539 -0.964 11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.987 -0.952 13.234 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.605 -0.668 13.908 1.00 0.00 H new ATOM 1066 N GLY A 71 3.679 -0.164 10.886 1.00 0.00 N ATOM 1067 CA GLY A 71 4.848 -1.022 10.788 1.00 0.00 C ATOM 1068 C GLY A 71 4.474 -2.397 10.231 1.00 0.00 C ATOM 1069 O GLY A 71 5.254 -3.343 10.330 1.00 0.00 O ATOM 0 H GLY A 71 3.524 0.440 10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.593 -0.555 10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.303 -1.136 11.772 1.00 0.00 H new ATOM 1073 N LYS A 72 3.281 -2.464 9.660 1.00 0.00 N ATOM 1074 CA LYS A 72 2.794 -3.708 9.088 1.00 0.00 C ATOM 1075 C LYS A 72 2.453 -3.487 7.613 1.00 0.00 C ATOM 1076 O LYS A 72 2.179 -2.362 7.197 1.00 0.00 O ATOM 1077 CB LYS A 72 1.628 -4.257 9.913 1.00 0.00 C ATOM 1078 CG LYS A 72 0.668 -5.063 9.037 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.316 -5.863 9.893 1.00 0.00 C ATOM 1080 CE LYS A 72 -0.959 -6.989 9.082 1.00 0.00 C ATOM 1081 NZ LYS A 72 -2.435 -6.879 9.121 1.00 0.00 N ATOM 0 H LYS A 72 2.637 -1.677 9.581 1.00 0.00 H new ATOM 0 HA LYS A 72 3.569 -4.473 9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.011 -4.888 10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.092 -3.433 10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.119 -4.390 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.235 -5.741 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.203 -6.282 10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.090 -5.200 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.612 -6.945 8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.650 -7.955 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.855 -7.651 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.762 -6.943 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.726 -5.965 8.719 1.00 0.00 H new ATOM 1095 N TYR A 73 2.480 -4.578 6.862 1.00 0.00 N ATOM 1096 CA TYR A 73 2.177 -4.518 5.442 1.00 0.00 C ATOM 1097 C TYR A 73 0.900 -5.297 5.121 1.00 0.00 C ATOM 1098 O TYR A 73 0.473 -6.146 5.902 1.00 0.00 O ATOM 1099 CB TYR A 73 3.358 -5.181 4.731 1.00 0.00 C ATOM 1100 CG TYR A 73 4.644 -4.352 4.754 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.329 -4.174 5.939 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.119 -3.783 3.590 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.539 -3.394 5.960 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.329 -3.003 3.612 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.979 -2.847 4.796 1.00 0.00 C ATOM 1106 OH TYR A 73 8.122 -2.111 4.816 1.00 0.00 O ATOM 0 H TYR A 73 2.707 -5.509 7.210 1.00 0.00 H new ATOM 0 HA TYR A 73 2.024 -3.486 5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.553 -6.147 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.082 -5.376 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.958 -4.620 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.583 -3.923 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.085 -3.247 6.880 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.712 -2.552 2.708 1.00 0.00 H new ATOM 0 HH TYR A 73 8.894 -2.708 4.907 1.00 0.00 H new ATOM 1116 N GLY A 74 0.326 -4.980 3.969 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.893 -5.639 3.534 1.00 0.00 C ATOM 1118 C GLY A 74 -1.042 -5.569 2.013 1.00 0.00 C ATOM 1119 O GLY A 74 -0.442 -4.712 1.366 1.00 0.00 O ATOM 0 H GLY A 74 0.683 -4.275 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.881 -6.681 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.754 -5.169 4.009 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.846 -6.481 1.486 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.081 -6.534 0.054 1.00 0.00 C ATOM 1125 C TYR A 75 -3.465 -5.982 -0.295 1.00 0.00 C ATOM 1126 O TYR A 75 -4.387 -6.049 0.517 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.024 -8.014 -0.329 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.623 -8.509 -0.693 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.195 -7.739 -1.494 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.177 -9.726 -0.219 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.514 -8.205 -1.836 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.142 -10.192 -0.561 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.922 -9.409 -1.352 1.00 0.00 C ATOM 1134 OH TYR A 75 3.168 -9.849 -1.675 1.00 0.00 O ATOM 0 H TYR A 75 -2.343 -7.189 2.026 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.341 -5.936 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.404 -8.609 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.690 -8.186 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.154 -6.787 -1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.817 -10.329 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.164 -7.612 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.503 -11.142 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 75 3.764 -9.738 -0.905 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.567 -5.448 -1.504 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.823 -4.885 -1.970 1.00 0.00 C ATOM 1146 C VAL A 76 -5.089 -5.359 -3.400 1.00 0.00 C ATOM 1147 O VAL A 76 -4.251 -5.182 -4.283 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.793 -3.361 -1.841 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -3.779 -2.749 -2.809 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -6.185 -2.765 -2.055 1.00 0.00 C ATOM 0 H VAL A 76 -2.800 -5.394 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.651 -5.234 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.477 -3.117 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.778 -1.665 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.785 -3.138 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.051 -3.008 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.135 -1.680 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.542 -3.024 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.871 -3.165 -1.308 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.260 -5.952 -3.584 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.647 -6.453 -4.892 1.00 0.00 C ATOM 1162 C LEU A 77 -7.026 -5.275 -5.792 1.00 0.00 C ATOM 1163 O LEU A 77 -7.613 -4.298 -5.328 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.750 -7.504 -4.758 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.648 -8.707 -5.698 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.991 -9.431 -5.811 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -7.106 -8.289 -7.067 1.00 0.00 C ATOM 0 H LEU A 77 -6.953 -6.097 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.809 -6.963 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.753 -7.870 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.711 -7.017 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.936 -9.414 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.890 -10.282 -6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.299 -9.783 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.742 -8.745 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.043 -9.163 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.774 -7.553 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.114 -7.854 -6.948 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.677 -5.406 -7.063 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.973 -4.365 -8.033 1.00 0.00 C ATOM 1181 C ARG A 78 -8.476 -4.079 -8.062 1.00 0.00 C ATOM 1182 O ARG A 78 -8.897 -2.994 -8.459 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.510 -4.769 -9.434 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.451 -5.810 -10.043 1.00 0.00 C ATOM 1185 CD ARG A 78 -8.446 -5.154 -11.003 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.831 -5.489 -10.603 1.00 0.00 N ATOM 1187 CZ ARG A 78 -10.933 -4.964 -11.180 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -10.821 -4.074 -12.189 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -12.122 -5.334 -10.742 1.00 0.00 N ATOM 0 H ARG A 78 -6.191 -6.218 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.434 -3.467 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.471 -3.889 -10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.499 -5.172 -9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.870 -6.564 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.992 -6.325 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.309 -4.073 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.260 -5.495 -12.021 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.961 -6.158 -9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.898 -3.793 -12.521 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.659 -3.682 -12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.198 -6.007 -9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.965 -4.947 -11.167 1.00 0.00 H new ATOM 1203 N SER A 79 -9.243 -5.072 -7.636 1.00 0.00 N ATOM 1204 CA SER A 79 -10.690 -4.941 -7.609 1.00 0.00 C ATOM 1205 C SER A 79 -11.084 -3.639 -6.909 1.00 0.00 C ATOM 1206 O SER A 79 -11.746 -2.788 -7.500 1.00 0.00 O ATOM 1207 CB SER A 79 -11.338 -6.137 -6.909 1.00 0.00 C ATOM 1208 OG SER A 79 -12.664 -6.374 -7.374 1.00 0.00 O ATOM 0 H SER A 79 -8.890 -5.970 -7.307 1.00 0.00 H new ATOM 0 HA SER A 79 -11.051 -4.917 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.731 -7.027 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.357 -5.961 -5.834 1.00 0.00 H new ATOM 0 HG SER A 79 -13.042 -7.146 -6.904 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.661 -3.525 -5.658 1.00 0.00 N ATOM 1215 CA TYR A 80 -10.962 -2.341 -4.871 1.00 0.00 C ATOM 1216 C TYR A 80 -9.680 -1.605 -4.476 1.00 0.00 C ATOM 1217 O TYR A 80 -9.197 -1.750 -3.354 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.659 -2.842 -3.605 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.027 -4.099 -3.003 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -9.909 -3.992 -2.200 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.574 -5.339 -3.262 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.314 -5.175 -1.633 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.980 -6.522 -2.695 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.879 -6.381 -1.909 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.317 -7.498 -1.373 1.00 0.00 O ATOM 0 H TYR A 80 -10.112 -4.233 -5.170 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.580 -1.648 -5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.647 -2.048 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.704 -3.048 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.481 -3.022 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.448 -5.422 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.439 -5.106 -1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.399 -7.498 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.511 -7.251 -0.874 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.164 -0.832 -5.420 1.00 0.00 N ATOM 1236 CA LEU A 81 -7.948 -0.073 -5.185 1.00 0.00 C ATOM 1237 C LEU A 81 -7.805 1.001 -6.265 1.00 0.00 C ATOM 1238 O LEU A 81 -8.105 0.756 -7.433 1.00 0.00 O ATOM 1239 CB LEU A 81 -6.742 -1.010 -5.086 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.396 -0.418 -5.507 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.223 -0.473 -7.026 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.227 1.002 -4.963 1.00 0.00 C ATOM 0 H LEU A 81 -9.566 -0.715 -6.350 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.001 0.443 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.658 -1.354 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.938 -1.888 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.604 -1.027 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.258 -0.046 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.268 -1.510 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.020 0.097 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.262 1.399 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.024 1.637 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.275 0.983 -3.874 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.346 2.168 -5.837 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.160 3.281 -6.753 1.00 0.00 C ATOM 1256 C ALA A 82 -6.257 2.840 -7.907 1.00 0.00 C ATOM 1257 O ALA A 82 -5.693 1.747 -7.875 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.590 4.479 -5.991 1.00 0.00 C ATOM 0 H ALA A 82 -7.097 2.367 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.114 3.591 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.450 5.314 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.282 4.771 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.631 4.207 -5.551 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.149 3.712 -8.898 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.324 3.427 -10.059 1.00 0.00 C ATOM 1266 C ASP A 83 -3.896 3.123 -9.603 1.00 0.00 C ATOM 1267 O ASP A 83 -3.410 3.711 -8.638 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.272 4.627 -11.007 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.246 4.563 -12.185 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.387 4.109 -11.954 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -5.827 4.971 -13.290 1.00 0.00 O ATOM 0 H ASP A 83 -6.619 4.617 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.760 2.575 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.476 5.532 -10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.259 4.719 -11.398 1.00 0.00 H new