USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0632) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.196 K(o=-0.2,f=-3.1!) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.036) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -28:sc= -0.367 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.012) USER MOD Single : A 57 HIS : no HE2:sc= 0.216 K(o=0.22,f=-0.8) USER MOD Single : A 59 SER OG : rot -53:sc= 0.49 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc=0.000816 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 18.202 25.563 31.078 1.00 0.00 N ATOM 101 CA PHE A 9 17.331 25.100 32.151 1.00 0.00 C ATOM 102 C PHE A 9 15.918 25.650 31.980 1.00 0.00 C ATOM 103 O PHE A 9 14.948 25.060 32.455 1.00 0.00 O ATOM 104 CB PHE A 9 17.893 25.518 33.511 1.00 0.00 C ATOM 105 CG PHE A 9 18.040 24.377 34.476 1.00 0.00 C ATOM 106 CD1 PHE A 9 17.015 23.461 34.649 1.00 0.00 C ATOM 107 CD2 PHE A 9 19.204 24.219 35.211 1.00 0.00 C ATOM 108 CE1 PHE A 9 17.146 22.410 35.537 1.00 0.00 C ATOM 109 CE2 PHE A 9 19.342 23.171 36.099 1.00 0.00 C ATOM 110 CZ PHE A 9 18.311 22.264 36.263 1.00 0.00 C ATOM 0 HA PHE A 9 17.286 24.012 32.104 1.00 0.00 H new ATOM 0 HB2 PHE A 9 18.866 25.987 33.364 1.00 0.00 H new ATOM 0 HB3 PHE A 9 17.239 26.272 33.949 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.102 23.570 34.083 1.00 0.00 H new ATOM 0 HD2 PHE A 9 20.013 24.924 35.088 1.00 0.00 H new ATOM 0 HE1 PHE A 9 16.338 21.704 35.663 1.00 0.00 H new ATOM 0 HE2 PHE A 9 20.255 23.060 36.665 1.00 0.00 H new ATOM 0 HZ PHE A 9 18.417 21.444 36.957 1.00 0.00 H new ATOM 119 N GLY A 10 15.811 26.787 31.300 1.00 0.00 N ATOM 120 CA GLY A 10 14.514 27.400 31.078 1.00 0.00 C ATOM 121 C GLY A 10 13.538 26.463 30.395 1.00 0.00 C ATOM 122 O GLY A 10 12.450 26.208 30.910 1.00 0.00 O ATOM 0 H GLY A 10 16.599 27.295 30.899 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.098 27.719 32.034 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.639 28.296 30.470 1.00 0.00 H new ATOM 126 N GLU A 11 13.927 25.950 29.233 1.00 0.00 N ATOM 127 CA GLU A 11 13.078 25.037 28.478 1.00 0.00 C ATOM 128 C GLU A 11 12.621 23.872 29.350 1.00 0.00 C ATOM 129 O GLU A 11 11.428 23.577 29.437 1.00 0.00 O ATOM 130 CB GLU A 11 13.823 24.508 27.250 1.00 0.00 C ATOM 131 CG GLU A 11 13.158 24.867 25.932 1.00 0.00 C ATOM 132 CD GLU A 11 13.032 23.679 24.999 1.00 0.00 C ATOM 133 OE1 GLU A 11 13.860 22.749 25.109 1.00 0.00 O ATOM 134 OE2 GLU A 11 12.108 23.676 24.161 1.00 0.00 O ATOM 0 H GLU A 11 14.825 26.151 28.794 1.00 0.00 H new ATOM 0 HA GLU A 11 12.198 25.589 28.149 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.839 24.903 27.254 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.903 23.423 27.323 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.167 25.276 26.129 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.734 25.651 25.440 1.00 0.00 H new ATOM 139 N LYS A 12 13.578 23.214 29.996 1.00 0.00 N ATOM 140 CA LYS A 12 13.276 22.080 30.861 1.00 0.00 C ATOM 141 C LYS A 12 12.340 22.494 31.994 1.00 0.00 C ATOM 142 O LYS A 12 11.375 21.796 32.301 1.00 0.00 O ATOM 143 CB LYS A 12 14.566 21.497 31.441 1.00 0.00 C ATOM 144 CG LYS A 12 15.644 21.249 30.399 1.00 0.00 C ATOM 145 CD LYS A 12 16.347 19.923 30.628 1.00 0.00 C ATOM 146 CE LYS A 12 17.794 19.971 30.162 1.00 0.00 C ATOM 147 NZ LYS A 12 17.945 19.473 28.767 1.00 0.00 N ATOM 0 H LYS A 12 14.569 23.447 29.937 1.00 0.00 H new ATOM 0 HA LYS A 12 12.778 21.319 30.260 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.954 22.178 32.198 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.336 20.558 31.945 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.199 21.258 29.404 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.373 22.058 30.429 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.313 19.670 31.688 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.818 19.133 30.095 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.161 20.995 30.223 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.411 19.370 30.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.945 19.522 28.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.618 18.487 28.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.377 20.062 28.125 1.00 0.00 H new ATOM 157 N ALA A 13 12.631 23.636 32.607 1.00 0.00 N ATOM 158 CA ALA A 13 11.813 24.145 33.701 1.00 0.00 C ATOM 159 C ALA A 13 10.343 24.214 33.302 1.00 0.00 C ATOM 160 O ALA A 13 9.476 23.689 34.001 1.00 0.00 O ATOM 161 CB ALA A 13 12.308 25.516 34.137 1.00 0.00 C ATOM 0 H ALA A 13 13.427 24.226 32.365 1.00 0.00 H new ATOM 0 HA ALA A 13 11.903 23.455 34.540 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.688 25.884 34.954 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.342 25.440 34.472 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.249 26.208 33.297 1.00 0.00 H new ATOM 167 N SER A 14 10.070 24.864 32.176 1.00 0.00 N ATOM 168 CA SER A 14 8.704 25.004 31.687 1.00 0.00 C ATOM 169 C SER A 14 8.092 23.639 31.383 1.00 0.00 C ATOM 170 O SER A 14 6.876 23.465 31.453 1.00 0.00 O ATOM 171 CB SER A 14 8.677 25.879 30.430 1.00 0.00 C ATOM 172 OG SER A 14 7.920 27.058 30.646 1.00 0.00 O ATOM 0 H SER A 14 10.777 25.302 31.585 1.00 0.00 H new ATOM 0 HA SER A 14 8.112 25.482 32.468 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.695 26.144 30.145 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.250 25.316 29.600 1.00 0.00 H new ATOM 0 HG SER A 14 7.919 27.600 29.830 1.00 0.00 H new ATOM 177 N GLU A 15 8.945 22.678 31.047 1.00 0.00 N ATOM 178 CA GLU A 15 8.489 21.328 30.732 1.00 0.00 C ATOM 179 C GLU A 15 8.178 20.547 32.007 1.00 0.00 C ATOM 180 O GLU A 15 7.262 19.726 32.036 1.00 0.00 O ATOM 181 CB GLU A 15 9.545 20.587 29.912 1.00 0.00 C ATOM 182 CG GLU A 15 9.610 21.028 28.460 1.00 0.00 C ATOM 183 CD GLU A 15 9.451 19.872 27.491 1.00 0.00 C ATOM 184 OE1 GLU A 15 10.474 19.255 27.130 1.00 0.00 O ATOM 185 OE2 GLU A 15 8.302 19.585 27.095 1.00 0.00 O ATOM 0 H GLU A 15 9.955 22.808 30.986 1.00 0.00 H new ATOM 0 HA GLU A 15 7.575 21.409 30.144 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.521 20.738 30.372 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.337 19.518 29.949 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.828 21.764 28.273 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.564 21.522 28.277 1.00 0.00 H new ATOM 190 N ALA A 16 8.948 20.812 33.057 1.00 0.00 N ATOM 191 CA ALA A 16 8.755 20.136 34.334 1.00 0.00 C ATOM 192 C ALA A 16 7.403 20.490 34.944 1.00 0.00 C ATOM 193 O ALA A 16 6.612 19.609 35.284 1.00 0.00 O ATOM 194 CB ALA A 16 9.880 20.492 35.295 1.00 0.00 C ATOM 0 H ALA A 16 9.711 21.489 33.049 1.00 0.00 H new ATOM 0 HA ALA A 16 8.772 19.061 34.154 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.723 19.980 36.245 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.834 20.182 34.869 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.890 21.569 35.461 1.00 0.00 H new ATOM 200 N LEU A 17 7.143 21.787 35.082 1.00 0.00 N ATOM 201 CA LEU A 17 5.886 22.259 35.653 1.00 0.00 C ATOM 202 C LEU A 17 4.698 21.767 34.833 1.00 0.00 C ATOM 203 O LEU A 17 3.668 21.379 35.384 1.00 0.00 O ATOM 204 CB LEU A 17 5.877 23.787 35.721 1.00 0.00 C ATOM 205 CG LEU A 17 5.933 24.519 34.380 1.00 0.00 C ATOM 206 CD1 LEU A 17 4.530 24.747 33.837 1.00 0.00 C ATOM 207 CD2 LEU A 17 6.673 25.841 34.525 1.00 0.00 C ATOM 0 H LEU A 17 7.786 22.529 34.806 1.00 0.00 H new ATOM 0 HA LEU A 17 5.799 21.856 36.662 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.976 24.102 36.247 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.726 24.109 36.324 1.00 0.00 H new ATOM 0 HG LEU A 17 6.478 23.897 33.670 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.590 25.269 32.882 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.034 23.787 33.695 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.959 25.349 34.544 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.703 26.349 33.561 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.156 26.470 35.250 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.690 25.653 34.868 1.00 0.00 H new ATOM 218 N LYS A 18 4.848 21.785 33.512 1.00 0.00 N ATOM 219 CA LYS A 18 3.790 21.339 32.614 1.00 0.00 C ATOM 220 C LYS A 18 3.550 19.839 32.760 1.00 0.00 C ATOM 221 O LYS A 18 4.398 19.095 33.255 1.00 0.00 O ATOM 222 CB LYS A 18 4.149 21.671 31.166 1.00 0.00 C ATOM 223 CG LYS A 18 3.334 22.813 30.584 1.00 0.00 C ATOM 224 CD LYS A 18 2.821 22.482 29.192 1.00 0.00 C ATOM 225 CE LYS A 18 1.618 23.336 28.823 1.00 0.00 C ATOM 226 NZ LYS A 18 1.917 24.791 28.932 1.00 0.00 N ATOM 0 H LYS A 18 5.694 22.104 33.040 1.00 0.00 H new ATOM 0 HA LYS A 18 2.873 21.864 32.883 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.207 21.927 31.112 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.004 20.782 30.552 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.492 23.031 31.240 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.947 23.713 30.542 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.616 22.638 28.463 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.548 21.428 29.145 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.307 23.104 27.804 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.782 23.087 29.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.122 25.339 28.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.057 25.043 29.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.781 25.009 28.396 1.00 0.00 H new ATOM 311 N TYR A 25 6.956 10.827 36.757 1.00 0.00 N ATOM 312 CA TYR A 25 7.562 10.701 38.077 1.00 0.00 C ATOM 313 C TYR A 25 9.035 11.097 38.039 1.00 0.00 C ATOM 314 O TYR A 25 9.592 11.558 39.036 1.00 0.00 O ATOM 315 CB TYR A 25 7.420 9.268 38.594 1.00 0.00 C ATOM 316 CG TYR A 25 6.628 9.163 39.877 1.00 0.00 C ATOM 317 CD1 TYR A 25 5.240 9.117 39.857 1.00 0.00 C ATOM 318 CD2 TYR A 25 7.267 9.110 41.109 1.00 0.00 C ATOM 319 CE1 TYR A 25 4.511 9.020 41.027 1.00 0.00 C ATOM 320 CE2 TYR A 25 6.547 9.012 42.283 1.00 0.00 C ATOM 321 CZ TYR A 25 5.170 8.968 42.239 1.00 0.00 C ATOM 322 OH TYR A 25 4.449 8.872 43.406 1.00 0.00 O ATOM 0 HA TYR A 25 7.039 11.376 38.754 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.937 8.661 37.828 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.413 8.849 38.755 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.721 9.158 38.911 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.346 9.146 41.149 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.432 8.985 40.993 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.061 8.970 43.232 1.00 0.00 H new ATOM 0 HH TYR A 25 5.064 8.845 44.169 1.00 0.00 H new ATOM 331 N ALA A 26 9.661 10.914 36.881 1.00 0.00 N ATOM 332 CA ALA A 26 11.068 11.254 36.712 1.00 0.00 C ATOM 333 C ALA A 26 11.350 12.679 37.176 1.00 0.00 C ATOM 334 O ALA A 26 12.308 12.925 37.907 1.00 0.00 O ATOM 335 CB ALA A 26 11.481 11.080 35.257 1.00 0.00 C ATOM 0 H ALA A 26 9.216 10.532 36.046 1.00 0.00 H new ATOM 0 HA ALA A 26 11.656 10.576 37.330 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.534 11.337 35.144 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.326 10.044 34.956 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.878 11.734 34.627 1.00 0.00 H new ATOM 341 N GLU A 27 10.505 13.613 36.747 1.00 0.00 N ATOM 342 CA GLU A 27 10.666 15.013 37.119 1.00 0.00 C ATOM 343 C GLU A 27 10.173 15.258 38.543 1.00 0.00 C ATOM 344 O GLU A 27 10.765 16.039 39.289 1.00 0.00 O ATOM 345 CB GLU A 27 9.906 15.913 36.144 1.00 0.00 C ATOM 346 CG GLU A 27 10.809 16.779 35.283 1.00 0.00 C ATOM 347 CD GLU A 27 11.676 17.715 36.103 1.00 0.00 C ATOM 348 OE1 GLU A 27 11.396 17.878 37.309 1.00 0.00 O ATOM 349 OE2 GLU A 27 12.634 18.284 35.540 1.00 0.00 O ATOM 0 H GLU A 27 9.705 13.425 36.143 1.00 0.00 H new ATOM 0 HA GLU A 27 11.728 15.254 37.073 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.288 15.292 35.496 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.230 16.556 36.708 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.447 16.139 34.674 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.197 17.364 34.596 1.00 0.00 H new ATOM 354 N GLN A 28 9.087 14.586 38.911 1.00 0.00 N ATOM 355 CA GLN A 28 8.514 14.732 40.243 1.00 0.00 C ATOM 356 C GLN A 28 9.561 14.456 41.319 1.00 0.00 C ATOM 357 O GLN A 28 9.757 15.260 42.229 1.00 0.00 O ATOM 358 CB GLN A 28 7.326 13.786 40.417 1.00 0.00 C ATOM 359 CG GLN A 28 6.247 13.964 39.361 1.00 0.00 C ATOM 360 CD GLN A 28 4.940 13.297 39.744 1.00 0.00 C ATOM 361 OE1 GLN A 28 4.767 12.092 39.563 1.00 0.00 O ATOM 362 NE2 GLN A 28 4.010 14.081 40.279 1.00 0.00 N ATOM 0 H GLN A 28 8.587 13.935 38.305 1.00 0.00 H new ATOM 0 HA GLN A 28 8.169 15.760 40.352 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.684 12.757 40.389 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.888 13.944 41.402 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.074 15.028 39.200 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.598 13.551 38.415 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.196 15.075 40.411 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.111 13.689 40.557 1.00 0.00 H new ATOM 369 N GLY A 29 10.230 13.312 41.207 1.00 0.00 N ATOM 370 CA GLY A 29 11.248 12.951 42.177 1.00 0.00 C ATOM 371 C GLY A 29 12.385 13.951 42.224 1.00 0.00 C ATOM 372 O GLY A 29 12.730 14.460 43.290 1.00 0.00 O ATOM 0 H GLY A 29 10.085 12.630 40.463 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.794 12.876 43.165 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.645 11.966 41.933 1.00 0.00 H new ATOM 376 N LYS A 30 12.970 14.234 41.065 1.00 0.00 N ATOM 377 CA LYS A 30 14.077 15.180 40.977 1.00 0.00 C ATOM 378 C LYS A 30 13.731 16.488 41.681 1.00 0.00 C ATOM 379 O LYS A 30 14.465 16.943 42.558 1.00 0.00 O ATOM 380 CB LYS A 30 14.426 15.454 39.513 1.00 0.00 C ATOM 381 CG LYS A 30 14.846 14.213 38.745 1.00 0.00 C ATOM 382 CD LYS A 30 14.696 14.407 37.245 1.00 0.00 C ATOM 383 CE LYS A 30 16.034 14.711 36.586 1.00 0.00 C ATOM 384 NZ LYS A 30 16.903 13.504 36.513 1.00 0.00 N ATOM 0 H LYS A 30 12.696 13.822 40.173 1.00 0.00 H new ATOM 0 HA LYS A 30 14.941 14.737 41.473 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.563 15.901 39.020 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.232 16.187 39.471 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.883 13.973 38.980 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.242 13.364 39.065 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.267 13.508 36.802 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.000 15.223 37.050 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.864 15.098 35.581 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.546 15.493 37.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.692 13.683 35.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.279 13.289 37.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.346 12.695 36.170 1.00 0.00 H new ATOM 394 N GLU A 31 12.609 17.086 41.294 1.00 0.00 N ATOM 395 CA GLU A 31 12.168 18.341 41.890 1.00 0.00 C ATOM 396 C GLU A 31 11.982 18.191 43.397 1.00 0.00 C ATOM 397 O GLU A 31 12.176 19.143 44.155 1.00 0.00 O ATOM 398 CB GLU A 31 10.858 18.804 41.249 1.00 0.00 C ATOM 399 CG GLU A 31 10.017 19.691 42.151 1.00 0.00 C ATOM 400 CD GLU A 31 10.752 20.944 42.585 1.00 0.00 C ATOM 401 OE1 GLU A 31 11.682 21.365 41.866 1.00 0.00 O ATOM 402 OE2 GLU A 31 10.396 21.505 43.642 1.00 0.00 O ATOM 0 H GLU A 31 11.989 16.722 40.571 1.00 0.00 H new ATOM 0 HA GLU A 31 12.939 19.090 41.708 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.085 19.346 40.331 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.273 17.929 40.967 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.103 19.973 41.628 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.717 19.126 43.034 1.00 0.00 H new ATOM 407 N TYR A 32 11.606 16.992 43.825 1.00 0.00 N ATOM 408 CA TYR A 32 11.391 16.718 45.241 1.00 0.00 C ATOM 409 C TYR A 32 12.660 16.983 46.046 1.00 0.00 C ATOM 410 O TYR A 32 12.629 17.671 47.066 1.00 0.00 O ATOM 411 CB TYR A 32 10.941 15.270 45.440 1.00 0.00 C ATOM 412 CG TYR A 32 10.451 14.973 46.839 1.00 0.00 C ATOM 413 CD1 TYR A 32 11.346 14.714 47.869 1.00 0.00 C ATOM 414 CD2 TYR A 32 9.092 14.953 47.131 1.00 0.00 C ATOM 415 CE1 TYR A 32 10.903 14.443 49.150 1.00 0.00 C ATOM 416 CE2 TYR A 32 8.640 14.685 48.407 1.00 0.00 C ATOM 417 CZ TYR A 32 9.548 14.430 49.414 1.00 0.00 C ATOM 418 OH TYR A 32 9.102 14.160 50.687 1.00 0.00 O ATOM 0 H TYR A 32 11.444 16.193 43.212 1.00 0.00 H new ATOM 0 HA TYR A 32 10.608 17.387 45.599 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.145 15.045 44.730 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.773 14.605 45.207 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.407 14.725 47.665 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.378 15.151 46.346 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.612 14.243 49.939 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.581 14.675 48.616 1.00 0.00 H new ATOM 0 HH TYR A 32 8.123 14.191 50.704 1.00 0.00 H new ATOM 427 N ILE A 33 13.775 16.431 45.579 1.00 0.00 N ATOM 428 CA ILE A 33 15.055 16.610 46.252 1.00 0.00 C ATOM 429 C ILE A 33 15.499 18.068 46.214 1.00 0.00 C ATOM 430 O ILE A 33 15.837 18.653 47.243 1.00 0.00 O ATOM 431 CB ILE A 33 16.152 15.734 45.617 1.00 0.00 C ATOM 432 CG1 ILE A 33 15.628 14.317 45.374 1.00 0.00 C ATOM 433 CG2 ILE A 33 17.387 15.703 46.507 1.00 0.00 C ATOM 434 CD1 ILE A 33 15.427 13.991 43.910 1.00 0.00 C ATOM 0 H ILE A 33 13.817 15.856 44.737 1.00 0.00 H new ATOM 0 HA ILE A 33 14.911 16.305 47.288 1.00 0.00 H new ATOM 0 HB ILE A 33 16.431 16.167 44.656 1.00 0.00 H new ATOM 0 HG12 ILE A 33 16.327 13.601 45.805 1.00 0.00 H new ATOM 0 HG13 ILE A 33 14.681 14.193 45.899 1.00 0.00 H new ATOM 0 HG21 ILE A 33 18.153 15.080 46.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 17.770 16.716 46.633 1.00 0.00 H new ATOM 0 HG23 ILE A 33 17.123 15.291 47.481 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.054 12.971 43.812 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.705 14.684 43.479 1.00 0.00 H new ATOM 0 HD13 ILE A 33 16.377 14.082 43.383 1.00 0.00 H new ATOM 445 N THR A 34 15.494 18.652 45.019 1.00 0.00 N ATOM 446 CA THR A 34 15.894 20.042 44.846 1.00 0.00 C ATOM 447 C THR A 34 15.191 20.946 45.854 1.00 0.00 C ATOM 448 O THR A 34 15.831 21.745 46.537 1.00 0.00 O ATOM 449 CB THR A 34 15.587 20.542 43.422 1.00 0.00 C ATOM 450 OG1 THR A 34 14.189 20.406 43.146 1.00 0.00 O ATOM 451 CG2 THR A 34 16.392 19.765 42.391 1.00 0.00 C ATOM 0 H THR A 34 15.217 18.183 44.157 1.00 0.00 H new ATOM 0 HA THR A 34 16.970 20.085 45.013 1.00 0.00 H new ATOM 0 HB THR A 34 15.867 21.594 43.361 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.822 19.667 43.674 1.00 0.00 H new ATOM 0 HG21 THR A 34 16.159 20.135 41.393 1.00 0.00 H new ATOM 0 HG22 THR A 34 17.456 19.895 42.587 1.00 0.00 H new ATOM 0 HG23 THR A 34 16.138 18.707 42.454 1.00 0.00 H new ATOM 459 N ASP A 35 13.873 20.815 45.939 1.00 0.00 N ATOM 460 CA ASP A 35 13.082 21.620 46.864 1.00 0.00 C ATOM 461 C ASP A 35 13.604 21.476 48.291 1.00 0.00 C ATOM 462 O ASP A 35 13.582 22.429 49.070 1.00 0.00 O ATOM 463 CB ASP A 35 11.611 21.209 46.802 1.00 0.00 C ATOM 464 CG ASP A 35 10.674 22.399 46.860 1.00 0.00 C ATOM 465 OD1 ASP A 35 11.019 23.453 46.284 1.00 0.00 O ATOM 466 OD2 ASP A 35 9.599 22.279 47.482 1.00 0.00 O ATOM 0 H ASP A 35 13.328 20.159 45.379 1.00 0.00 H new ATOM 0 HA ASP A 35 13.171 22.665 46.567 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.431 20.653 45.882 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.390 20.536 47.630 1.00 0.00 H new ATOM 470 N LYS A 36 14.072 20.278 48.627 1.00 0.00 N ATOM 471 CA LYS A 36 14.599 20.009 49.958 1.00 0.00 C ATOM 472 C LYS A 36 15.954 20.679 50.154 1.00 0.00 C ATOM 473 O LYS A 36 16.223 21.262 51.203 1.00 0.00 O ATOM 474 CB LYS A 36 14.726 18.500 50.183 1.00 0.00 C ATOM 475 CG LYS A 36 13.400 17.761 50.127 1.00 0.00 C ATOM 476 CD LYS A 36 12.865 17.468 51.518 1.00 0.00 C ATOM 477 CE LYS A 36 12.403 16.025 51.645 1.00 0.00 C ATOM 478 NZ LYS A 36 12.350 15.582 53.065 1.00 0.00 N ATOM 0 H LYS A 36 14.097 19.478 47.994 1.00 0.00 H new ATOM 0 HA LYS A 36 13.902 20.422 50.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.396 18.084 49.430 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.189 18.324 51.154 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.673 18.357 49.575 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.526 16.826 49.581 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.641 17.669 52.257 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.034 18.138 51.738 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.416 15.919 51.195 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.079 15.377 51.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.031 14.593 53.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.297 15.659 53.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.685 16.184 53.592 1.00 0.00 H new ATOM 488 N ALA A 37 16.804 20.592 49.135 1.00 0.00 N ATOM 489 CA ALA A 37 18.130 21.194 49.193 1.00 0.00 C ATOM 490 C ALA A 37 18.044 22.716 49.173 1.00 0.00 C ATOM 491 O ALA A 37 18.941 23.405 49.660 1.00 0.00 O ATOM 492 CB ALA A 37 18.986 20.696 48.038 1.00 0.00 C ATOM 0 H ALA A 37 16.597 20.110 48.260 1.00 0.00 H new ATOM 0 HA ALA A 37 18.597 20.896 50.132 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.974 21.154 48.093 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.084 19.612 48.099 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.514 20.965 47.093 1.00 0.00 H new ATOM 498 N ASP A 38 16.960 23.235 48.608 1.00 0.00 N ATOM 499 CA ASP A 38 16.757 24.678 48.525 1.00 0.00 C ATOM 500 C ASP A 38 16.229 25.228 49.846 1.00 0.00 C ATOM 501 O ASP A 38 16.650 26.293 50.300 1.00 0.00 O ATOM 502 CB ASP A 38 15.783 25.012 47.394 1.00 0.00 C ATOM 503 CG ASP A 38 16.254 26.182 46.553 1.00 0.00 C ATOM 504 OD1 ASP A 38 17.404 26.139 46.069 1.00 0.00 O ATOM 505 OD2 ASP A 38 15.472 27.141 46.380 1.00 0.00 O ATOM 0 H ASP A 38 16.208 22.679 48.201 1.00 0.00 H new ATOM 0 HA ASP A 38 17.719 25.145 48.316 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.657 24.137 46.756 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.805 25.242 47.816 1.00 0.00 H new ATOM 509 N LYS A 39 15.304 24.498 50.460 1.00 0.00 N ATOM 510 CA LYS A 39 14.719 24.912 51.729 1.00 0.00 C ATOM 511 C LYS A 39 15.752 24.854 52.850 1.00 0.00 C ATOM 512 O LYS A 39 15.890 25.796 53.630 1.00 0.00 O ATOM 513 CB LYS A 39 13.523 24.023 52.076 1.00 0.00 C ATOM 514 CG LYS A 39 12.181 24.646 51.734 1.00 0.00 C ATOM 515 CD LYS A 39 11.326 24.848 52.974 1.00 0.00 C ATOM 516 CE LYS A 39 10.715 23.539 53.448 1.00 0.00 C ATOM 517 NZ LYS A 39 10.276 23.613 54.870 1.00 0.00 N ATOM 0 H LYS A 39 14.943 23.615 50.098 1.00 0.00 H new ATOM 0 HA LYS A 39 14.380 25.943 51.625 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.620 23.076 51.546 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.547 23.796 53.142 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.340 25.605 51.240 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.652 24.007 51.027 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.934 25.277 53.771 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.533 25.564 52.758 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.862 23.287 52.818 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.444 22.736 53.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.865 22.701 55.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.094 23.828 55.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.562 24.362 54.974 1.00 0.00 H new ATOM 527 N VAL A 40 16.477 23.743 52.923 1.00 0.00 N ATOM 528 CA VAL A 40 17.500 23.563 53.947 1.00 0.00 C ATOM 529 C VAL A 40 18.598 24.612 53.817 1.00 0.00 C ATOM 530 O VAL A 40 19.126 25.100 54.816 1.00 0.00 O ATOM 531 CB VAL A 40 18.133 22.160 53.868 1.00 0.00 C ATOM 532 CG1 VAL A 40 18.735 21.924 52.491 1.00 0.00 C ATOM 533 CG2 VAL A 40 19.183 21.988 54.955 1.00 0.00 C ATOM 0 H VAL A 40 16.375 22.953 52.285 1.00 0.00 H new ATOM 0 HA VAL A 40 17.006 23.676 54.912 1.00 0.00 H new ATOM 0 HB VAL A 40 17.352 21.417 54.029 1.00 0.00 H new ATOM 0 HG11 VAL A 40 19.178 20.929 52.453 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.955 22.003 51.734 1.00 0.00 H new ATOM 0 HG13 VAL A 40 19.505 22.671 52.298 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.620 20.992 54.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 19.965 22.737 54.827 1.00 0.00 H new ATOM 0 HG23 VAL A 40 18.718 22.112 55.933 1.00 0.00 H new ATOM 543 N ALA A 41 18.937 24.955 52.578 1.00 0.00 N ATOM 544 CA ALA A 41 19.971 25.949 52.317 1.00 0.00 C ATOM 545 C ALA A 41 19.449 27.360 52.563 1.00 0.00 C ATOM 546 O ALA A 41 20.141 28.196 53.144 1.00 0.00 O ATOM 547 CB ALA A 41 20.483 25.815 50.891 1.00 0.00 C ATOM 0 H ALA A 41 18.511 24.559 51.740 1.00 0.00 H new ATOM 0 HA ALA A 41 20.796 25.769 53.006 1.00 0.00 H new ATOM 0 HB1 ALA A 41 21.255 26.563 50.710 1.00 0.00 H new ATOM 0 HB2 ALA A 41 20.902 24.819 50.747 1.00 0.00 H new ATOM 0 HB3 ALA A 41 19.660 25.966 50.193 1.00 0.00 H new ATOM 553 N GLY A 42 18.225 27.621 52.117 1.00 0.00 N ATOM 554 CA GLY A 42 17.633 28.933 52.298 1.00 0.00 C ATOM 555 C GLY A 42 17.281 29.217 53.744 1.00 0.00 C ATOM 556 O GLY A 42 17.358 30.359 54.198 1.00 0.00 O ATOM 0 H GLY A 42 17.632 26.947 51.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.327 29.694 51.940 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.734 29.010 51.687 1.00 0.00 H new ATOM 560 N LYS A 43 16.895 28.176 54.473 1.00 0.00 N ATOM 561 CA LYS A 43 16.530 28.316 55.878 1.00 0.00 C ATOM 562 C LYS A 43 17.738 28.724 56.715 1.00 0.00 C ATOM 563 O LYS A 43 17.593 29.309 57.788 1.00 0.00 O ATOM 564 CB LYS A 43 15.946 27.005 56.408 1.00 0.00 C ATOM 565 CG LYS A 43 14.430 26.944 56.343 1.00 0.00 C ATOM 566 CD LYS A 43 13.790 28.015 57.209 1.00 0.00 C ATOM 567 CE LYS A 43 12.585 27.476 57.963 1.00 0.00 C ATOM 568 NZ LYS A 43 12.970 26.878 59.271 1.00 0.00 N ATOM 0 H LYS A 43 16.827 27.224 54.113 1.00 0.00 H new ATOM 0 HA LYS A 43 15.776 29.099 55.956 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.359 26.175 55.835 1.00 0.00 H new ATOM 0 HB3 LYS A 43 16.263 26.868 57.442 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.104 27.068 55.310 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.090 25.961 56.669 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.524 28.397 57.919 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.484 28.854 56.585 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.870 28.282 58.129 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.082 26.724 57.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.120 26.522 59.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.632 26.092 59.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.427 27.601 59.862 1.00 0.00 H new ATOM 675 N GLY A 51 15.935 33.423 49.756 1.00 0.00 N ATOM 676 CA GLY A 51 14.580 33.944 49.760 1.00 0.00 C ATOM 677 C GLY A 51 13.547 32.872 49.476 1.00 0.00 C ATOM 678 O GLY A 51 13.428 32.399 48.345 1.00 0.00 O ATOM 0 HA2 GLY A 51 14.371 34.398 50.729 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.495 34.733 49.013 1.00 0.00 H new ATOM 682 N VAL A 52 12.797 32.487 50.503 1.00 0.00 N ATOM 683 CA VAL A 52 11.768 31.463 50.360 1.00 0.00 C ATOM 684 C VAL A 52 10.674 31.916 49.399 1.00 0.00 C ATOM 685 O VAL A 52 9.982 31.095 48.797 1.00 0.00 O ATOM 686 CB VAL A 52 11.132 31.111 51.717 1.00 0.00 C ATOM 687 CG1 VAL A 52 10.126 29.983 51.559 1.00 0.00 C ATOM 688 CG2 VAL A 52 12.206 30.742 52.728 1.00 0.00 C ATOM 0 H VAL A 52 12.882 32.869 51.445 1.00 0.00 H new ATOM 0 HA VAL A 52 12.257 30.576 49.958 1.00 0.00 H new ATOM 0 HB VAL A 52 10.602 31.988 52.089 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.687 29.748 52.529 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.340 30.291 50.870 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.629 29.100 51.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.739 30.496 53.682 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.766 29.880 52.365 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.884 31.585 52.863 1.00 0.00 H new ATOM 698 N PHE A 53 10.522 33.229 49.261 1.00 0.00 N ATOM 699 CA PHE A 53 9.511 33.792 48.373 1.00 0.00 C ATOM 700 C PHE A 53 9.714 33.310 46.940 1.00 0.00 C ATOM 701 O PHE A 53 8.792 32.794 46.311 1.00 0.00 O ATOM 702 CB PHE A 53 9.555 35.322 48.420 1.00 0.00 C ATOM 703 CG PHE A 53 8.489 35.927 49.286 1.00 0.00 C ATOM 704 CD1 PHE A 53 8.340 35.526 50.604 1.00 0.00 C ATOM 705 CD2 PHE A 53 7.635 36.896 48.784 1.00 0.00 C ATOM 706 CE1 PHE A 53 7.358 36.081 51.404 1.00 0.00 C ATOM 707 CE2 PHE A 53 6.652 37.453 49.579 1.00 0.00 C ATOM 708 CZ PHE A 53 6.515 37.046 50.891 1.00 0.00 C ATOM 0 H PHE A 53 11.086 33.923 49.752 1.00 0.00 H new ATOM 0 HA PHE A 53 8.534 33.452 48.716 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.532 35.638 48.786 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.453 35.711 47.407 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.998 34.772 51.011 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.739 37.220 47.759 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.251 35.760 52.429 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.992 38.206 49.175 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.749 37.482 51.515 1.00 0.00 H new ATOM 717 N GLN A 54 10.931 33.482 46.432 1.00 0.00 N ATOM 718 CA GLN A 54 11.256 33.065 45.072 1.00 0.00 C ATOM 719 C GLN A 54 11.031 31.568 44.894 1.00 0.00 C ATOM 720 O GLN A 54 10.584 31.117 43.839 1.00 0.00 O ATOM 721 CB GLN A 54 12.706 33.420 44.742 1.00 0.00 C ATOM 722 CG GLN A 54 12.843 34.598 43.792 1.00 0.00 C ATOM 723 CD GLN A 54 13.401 34.197 42.440 1.00 0.00 C ATOM 724 OE1 GLN A 54 14.287 34.860 41.900 1.00 0.00 O ATOM 725 NE2 GLN A 54 12.885 33.107 41.886 1.00 0.00 N ATOM 0 H GLN A 54 11.707 33.906 46.941 1.00 0.00 H new ATOM 0 HA GLN A 54 10.595 33.596 44.387 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.235 33.647 45.667 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.193 32.550 44.301 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.867 35.064 43.654 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.494 35.348 44.241 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.152 32.588 42.369 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.222 32.789 40.977 1.00 0.00 H new ATOM 732 N GLY A 55 11.344 30.799 45.933 1.00 0.00 N ATOM 733 CA GLY A 55 11.171 29.359 45.870 1.00 0.00 C ATOM 734 C GLY A 55 9.773 28.962 45.441 1.00 0.00 C ATOM 735 O GLY A 55 9.583 27.928 44.801 1.00 0.00 O ATOM 0 H GLY A 55 11.714 31.148 46.817 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.895 28.939 45.172 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.384 28.927 46.848 1.00 0.00 H new ATOM 739 N VAL A 56 8.791 29.786 45.795 1.00 0.00 N ATOM 740 CA VAL A 56 7.402 29.514 45.442 1.00 0.00 C ATOM 741 C VAL A 56 7.252 29.269 43.944 1.00 0.00 C ATOM 742 O VAL A 56 6.603 28.311 43.524 1.00 0.00 O ATOM 743 CB VAL A 56 6.481 30.678 45.855 1.00 0.00 C ATOM 744 CG1 VAL A 56 5.040 30.382 45.466 1.00 0.00 C ATOM 745 CG2 VAL A 56 6.594 30.943 47.348 1.00 0.00 C ATOM 0 H VAL A 56 8.931 30.646 46.325 1.00 0.00 H new ATOM 0 HA VAL A 56 7.108 28.616 45.985 1.00 0.00 H new ATOM 0 HB VAL A 56 6.799 31.576 45.325 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.404 31.215 45.765 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.975 30.246 44.386 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.707 29.473 45.967 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.937 31.768 47.622 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.303 30.049 47.899 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.624 31.202 47.595 1.00 0.00 H new ATOM 755 N HIS A 57 7.860 30.138 43.144 1.00 0.00 N ATOM 756 CA HIS A 57 7.796 30.015 41.693 1.00 0.00 C ATOM 757 C HIS A 57 8.969 29.195 41.165 1.00 0.00 C ATOM 758 O HIS A 57 8.877 28.572 40.106 1.00 0.00 O ATOM 759 CB HIS A 57 7.794 31.399 41.042 1.00 0.00 C ATOM 760 CG HIS A 57 6.978 31.470 39.787 1.00 0.00 C ATOM 761 ND1 HIS A 57 7.114 30.570 38.751 1.00 0.00 N ATOM 762 CD2 HIS A 57 6.013 32.339 39.405 1.00 0.00 C ATOM 763 CE1 HIS A 57 6.269 30.883 37.786 1.00 0.00 C ATOM 764 NE2 HIS A 57 5.589 31.953 38.157 1.00 0.00 N ATOM 0 H HIS A 57 8.403 30.935 43.476 1.00 0.00 H new ATOM 0 HA HIS A 57 6.870 29.500 41.438 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.410 32.127 41.757 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.821 31.686 40.815 1.00 0.00 H new ATOM 0 HD1 HIS A 57 7.765 29.785 38.733 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.645 33.179 39.975 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.153 30.354 36.852 1.00 0.00 H new ATOM 771 N ASP A 58 10.070 29.199 41.908 1.00 0.00 N ATOM 772 CA ASP A 58 11.260 28.454 41.516 1.00 0.00 C ATOM 773 C ASP A 58 11.017 26.951 41.611 1.00 0.00 C ATOM 774 O ASP A 58 11.668 26.163 40.926 1.00 0.00 O ATOM 775 CB ASP A 58 12.448 28.849 42.395 1.00 0.00 C ATOM 776 CG ASP A 58 13.781 28.585 41.721 1.00 0.00 C ATOM 777 OD1 ASP A 58 14.075 29.252 40.709 1.00 0.00 O ATOM 778 OD2 ASP A 58 14.528 27.709 42.207 1.00 0.00 O ATOM 0 H ASP A 58 10.163 29.710 42.786 1.00 0.00 H new ATOM 0 HA ASP A 58 11.488 28.701 40.479 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.374 29.907 42.646 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.402 28.295 43.333 1.00 0.00 H new ATOM 782 N SER A 59 10.076 26.562 42.466 1.00 0.00 N ATOM 783 CA SER A 59 9.751 25.154 42.655 1.00 0.00 C ATOM 784 C SER A 59 9.438 24.484 41.320 1.00 0.00 C ATOM 785 O SER A 59 10.076 23.505 40.939 1.00 0.00 O ATOM 786 CB SER A 59 8.561 25.006 43.605 1.00 0.00 C ATOM 787 OG SER A 59 8.979 25.051 44.958 1.00 0.00 O ATOM 0 H SER A 59 9.526 27.202 43.038 1.00 0.00 H new ATOM 0 HA SER A 59 10.619 24.662 43.093 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.841 25.802 43.417 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.051 24.062 43.410 1.00 0.00 H new ATOM 0 HG SER A 59 9.685 24.388 45.104 1.00 0.00 H new ATOM 792 N ALA A 60 8.448 25.021 40.614 1.00 0.00 N ATOM 793 CA ALA A 60 8.050 24.480 39.321 1.00 0.00 C ATOM 794 C ALA A 60 9.198 24.546 38.320 1.00 0.00 C ATOM 795 O ALA A 60 9.308 23.703 37.431 1.00 0.00 O ATOM 796 CB ALA A 60 6.837 25.227 38.787 1.00 0.00 C ATOM 0 H ALA A 60 7.907 25.831 40.917 1.00 0.00 H new ATOM 0 HA ALA A 60 7.785 23.432 39.460 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.551 24.812 37.820 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.008 25.122 39.487 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.082 26.283 38.671 1.00 0.00 H new ATOM 802 N GLU A 61 10.050 25.556 38.471 1.00 0.00 N ATOM 803 CA GLU A 61 11.188 25.734 37.578 1.00 0.00 C ATOM 804 C GLU A 61 12.201 24.605 37.756 1.00 0.00 C ATOM 805 O GLU A 61 12.587 23.942 36.794 1.00 0.00 O ATOM 806 CB GLU A 61 11.862 27.082 37.836 1.00 0.00 C ATOM 807 CG GLU A 61 11.418 28.176 36.879 1.00 0.00 C ATOM 808 CD GLU A 61 11.512 29.561 37.492 1.00 0.00 C ATOM 809 OE1 GLU A 61 10.586 29.945 38.236 1.00 0.00 O ATOM 810 OE2 GLU A 61 12.513 30.259 37.226 1.00 0.00 O ATOM 0 H GLU A 61 9.973 26.262 39.203 1.00 0.00 H new ATOM 0 HA GLU A 61 10.819 25.711 36.553 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.649 27.396 38.858 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.942 26.960 37.759 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.033 28.138 35.980 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.390 27.988 36.570 1.00 0.00 H new ATOM 1021 N ARG A 79 20.634 7.391 19.293 1.00 0.00 N ATOM 1022 CA ARG A 79 19.959 6.593 18.276 1.00 0.00 C ATOM 1023 C ARG A 79 19.077 5.527 18.916 1.00 0.00 C ATOM 1024 O ARG A 79 18.089 5.088 18.328 1.00 0.00 O ATOM 1025 CB ARG A 79 20.985 5.934 17.351 1.00 0.00 C ATOM 1026 CG ARG A 79 21.194 6.680 16.044 1.00 0.00 C ATOM 1027 CD ARG A 79 20.094 6.368 15.041 1.00 0.00 C ATOM 1028 NE ARG A 79 19.360 7.565 14.643 1.00 0.00 N ATOM 1029 CZ ARG A 79 18.439 7.579 13.687 1.00 0.00 C ATOM 1030 NH1 ARG A 79 18.140 6.464 13.035 1.00 0.00 N ATOM 1031 NH2 ARG A 79 17.814 8.709 13.381 1.00 0.00 N ATOM 0 HA ARG A 79 19.325 7.259 17.690 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.939 5.860 17.874 1.00 0.00 H new ATOM 0 HB3 ARG A 79 20.663 4.916 17.131 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.219 7.753 16.236 1.00 0.00 H new ATOM 0 HG3 ARG A 79 22.161 6.410 15.620 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.530 5.900 14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 79 19.402 5.646 15.475 1.00 0.00 H new ATOM 0 HE ARG A 79 19.566 8.439 15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.618 5.593 13.268 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.432 6.477 12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.041 9.569 13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.107 8.718 12.646 1.00 0.00 H new ATOM 1042 N ASP A 80 19.441 5.112 20.125 1.00 0.00 N ATOM 1043 CA ASP A 80 18.683 4.098 20.847 1.00 0.00 C ATOM 1044 C ASP A 80 17.402 4.688 21.429 1.00 0.00 C ATOM 1045 O ASP A 80 16.337 4.076 21.358 1.00 0.00 O ATOM 1046 CB ASP A 80 19.534 3.492 21.963 1.00 0.00 C ATOM 1047 CG ASP A 80 19.480 1.977 21.976 1.00 0.00 C ATOM 1048 OD1 ASP A 80 18.372 1.424 22.146 1.00 0.00 O ATOM 1049 OD2 ASP A 80 20.544 1.344 21.816 1.00 0.00 O ATOM 0 H ASP A 80 20.257 5.463 20.625 1.00 0.00 H new ATOM 0 HA ASP A 80 18.411 3.313 20.142 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.568 3.815 21.843 1.00 0.00 H new ATOM 0 HB3 ASP A 80 19.191 3.873 22.925 1.00 0.00 H new ATOM 1053 N TYR A 81 17.516 5.879 22.006 1.00 0.00 N ATOM 1054 CA TYR A 81 16.368 6.551 22.606 1.00 0.00 C ATOM 1055 C TYR A 81 15.420 7.072 21.530 1.00 0.00 C ATOM 1056 O TYR A 81 14.201 6.973 21.661 1.00 0.00 O ATOM 1057 CB TYR A 81 16.833 7.704 23.495 1.00 0.00 C ATOM 1058 CG TYR A 81 15.706 8.394 24.229 1.00 0.00 C ATOM 1059 CD1 TYR A 81 14.687 7.662 24.826 1.00 0.00 C ATOM 1060 CD2 TYR A 81 15.660 9.780 24.327 1.00 0.00 C ATOM 1061 CE1 TYR A 81 13.654 8.290 25.496 1.00 0.00 C ATOM 1062 CE2 TYR A 81 14.633 10.415 24.998 1.00 0.00 C ATOM 1063 CZ TYR A 81 13.632 9.666 25.580 1.00 0.00 C ATOM 1064 OH TYR A 81 12.606 10.294 26.249 1.00 0.00 O ATOM 0 H TYR A 81 18.391 6.399 22.071 1.00 0.00 H new ATOM 0 HA TYR A 81 15.831 5.825 23.217 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.551 7.324 24.222 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.358 8.436 22.881 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.702 6.584 24.765 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.441 10.370 23.871 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.868 7.706 25.951 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.614 11.493 25.066 1.00 0.00 H new ATOM 0 HH TYR A 81 12.740 11.264 26.217 1.00 0.00 H new ATOM 1073 N MET A 82 15.991 7.628 20.467 1.00 0.00 N ATOM 1074 CA MET A 82 15.198 8.165 19.367 1.00 0.00 C ATOM 1075 C MET A 82 14.393 7.062 18.687 1.00 0.00 C ATOM 1076 O MET A 82 13.173 7.151 18.571 1.00 0.00 O ATOM 1077 CB MET A 82 16.105 8.854 18.345 1.00 0.00 C ATOM 1078 CG MET A 82 16.284 10.343 18.599 1.00 0.00 C ATOM 1079 SD MET A 82 14.916 11.326 17.955 1.00 0.00 S ATOM 1080 CE MET A 82 15.383 12.962 18.514 1.00 0.00 C ATOM 0 H MET A 82 16.999 7.719 20.344 1.00 0.00 H new ATOM 0 HA MET A 82 14.503 8.897 19.778 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.082 8.372 18.355 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.689 8.711 17.348 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.378 10.516 19.671 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.214 10.677 18.140 1.00 0.00 H new ATOM 0 HE1 MET A 82 14.633 13.684 18.192 1.00 0.00 H new ATOM 0 HE2 MET A 82 15.451 12.969 19.602 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.350 13.230 18.088 1.00 0.00 H new ATOM 1088 N GLY A 83 15.089 6.020 18.239 1.00 0.00 N ATOM 1089 CA GLY A 83 14.422 4.914 17.576 1.00 0.00 C ATOM 1090 C GLY A 83 13.328 4.300 18.429 1.00 0.00 C ATOM 1091 O GLY A 83 12.339 3.789 17.907 1.00 0.00 O ATOM 0 H GLY A 83 16.101 5.923 18.323 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.993 5.263 16.637 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.156 4.148 17.326 1.00 0.00 H new ATOM 1095 N ALA A 84 13.508 4.351 19.745 1.00 0.00 N ATOM 1096 CA ALA A 84 12.528 3.799 20.671 1.00 0.00 C ATOM 1097 C ALA A 84 11.255 4.637 20.691 1.00 0.00 C ATOM 1098 O ALA A 84 10.150 4.105 20.783 1.00 0.00 O ATOM 1099 CB ALA A 84 13.120 3.700 22.070 1.00 0.00 C ATOM 0 H ALA A 84 14.323 4.769 20.193 1.00 0.00 H new ATOM 0 HA ALA A 84 12.266 2.798 20.327 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.377 3.286 22.751 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.995 3.051 22.050 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.413 4.693 22.412 1.00 0.00 H new ATOM 1105 N ALA A 85 11.418 5.954 20.606 1.00 0.00 N ATOM 1106 CA ALA A 85 10.282 6.866 20.612 1.00 0.00 C ATOM 1107 C ALA A 85 9.435 6.697 19.355 1.00 0.00 C ATOM 1108 O ALA A 85 8.217 6.884 19.384 1.00 0.00 O ATOM 1109 CB ALA A 85 10.760 8.305 20.740 1.00 0.00 C ATOM 0 H ALA A 85 12.326 6.412 20.532 1.00 0.00 H new ATOM 0 HA ALA A 85 9.659 6.624 21.473 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.900 8.975 20.743 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.315 8.423 21.671 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.408 8.550 19.898 1.00 0.00 H new ATOM 1115 N LYS A 86 10.086 6.345 18.251 1.00 0.00 N ATOM 1116 CA LYS A 86 9.393 6.151 16.983 1.00 0.00 C ATOM 1117 C LYS A 86 8.411 4.988 17.072 1.00 0.00 C ATOM 1118 O LYS A 86 7.223 5.144 16.792 1.00 0.00 O ATOM 1119 CB LYS A 86 10.403 5.895 15.862 1.00 0.00 C ATOM 1120 CG LYS A 86 11.601 6.829 15.897 1.00 0.00 C ATOM 1121 CD LYS A 86 12.205 7.012 14.516 1.00 0.00 C ATOM 1122 CE LYS A 86 12.419 8.483 14.191 1.00 0.00 C ATOM 1123 NZ LYS A 86 13.632 9.028 14.862 1.00 0.00 N ATOM 0 H LYS A 86 11.093 6.188 18.209 1.00 0.00 H new ATOM 0 HA LYS A 86 8.833 7.059 16.760 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.754 4.865 15.929 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.900 5.999 14.901 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.297 7.798 16.293 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.355 6.430 16.575 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.157 6.484 14.461 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.549 6.565 13.769 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.514 8.607 13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.544 9.055 14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.743 10.032 14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.531 8.933 15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.470 8.499 14.547 1.00 0.00 H new ATOM 1133 N SER A 87 8.914 3.823 17.466 1.00 0.00 N ATOM 1134 CA SER A 87 8.081 2.632 17.591 1.00 0.00 C ATOM 1135 C SER A 87 6.969 2.851 18.611 1.00 0.00 C ATOM 1136 O SER A 87 5.811 2.512 18.369 1.00 0.00 O ATOM 1137 CB SER A 87 8.933 1.427 17.997 1.00 0.00 C ATOM 1138 OG SER A 87 8.384 0.222 17.494 1.00 0.00 O ATOM 0 H SER A 87 9.895 3.678 17.704 1.00 0.00 H new ATOM 0 HA SER A 87 7.625 2.434 16.621 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.948 1.552 17.621 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.000 1.374 19.084 1.00 0.00 H new ATOM 0 HG SER A 87 8.947 -0.533 17.765 1.00 0.00 H new ATOM 1143 N LYS A 88 7.330 3.420 19.757 1.00 0.00 N ATOM 1144 CA LYS A 88 6.365 3.686 20.816 1.00 0.00 C ATOM 1145 C LYS A 88 5.306 4.680 20.351 1.00 0.00 C ATOM 1146 O LYS A 88 4.106 4.429 20.475 1.00 0.00 O ATOM 1147 CB LYS A 88 7.076 4.230 22.058 1.00 0.00 C ATOM 1148 CG LYS A 88 7.840 3.170 22.833 1.00 0.00 C ATOM 1149 CD LYS A 88 6.902 2.145 23.449 1.00 0.00 C ATOM 1150 CE LYS A 88 6.776 2.340 24.953 1.00 0.00 C ATOM 1151 NZ LYS A 88 5.826 3.435 25.293 1.00 0.00 N ATOM 0 H LYS A 88 8.285 3.706 19.975 1.00 0.00 H new ATOM 0 HA LYS A 88 5.873 2.747 21.067 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.767 5.016 21.756 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.339 4.689 22.717 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.543 2.668 22.168 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.428 3.645 23.618 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.918 2.226 22.987 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.271 1.141 23.241 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.439 1.411 25.413 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.756 2.566 25.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.768 3.536 26.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.161 4.327 24.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.884 3.208 24.914 1.00 0.00 H new ATOM 1161 N LEU A 89 5.756 5.809 19.810 1.00 0.00 N ATOM 1162 CA LEU A 89 4.846 6.839 19.324 1.00 0.00 C ATOM 1163 C LEU A 89 3.816 6.249 18.365 1.00 0.00 C ATOM 1164 O LEU A 89 2.612 6.409 18.558 1.00 0.00 O ATOM 1165 CB LEU A 89 5.631 7.951 18.625 1.00 0.00 C ATOM 1166 CG LEU A 89 4.805 9.117 18.079 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.807 9.598 19.124 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.712 10.256 17.642 1.00 0.00 C ATOM 0 H LEU A 89 6.745 6.033 19.698 1.00 0.00 H new ATOM 0 HA LEU A 89 4.319 7.257 20.182 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.363 8.349 19.328 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.189 7.510 17.799 1.00 0.00 H new ATOM 0 HG LEU A 89 4.250 8.768 17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.228 10.428 18.719 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.135 8.781 19.389 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.343 9.930 20.013 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.106 11.076 17.257 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.295 10.605 18.495 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.386 9.905 16.861 1.00 0.00 H new ATOM 1179 N ASN A 90 4.299 5.565 17.333 1.00 0.00 N ATOM 1180 CA ASN A 90 3.421 4.950 16.346 1.00 0.00 C ATOM 1181 C ASN A 90 2.467 3.959 17.008 1.00 0.00 C ATOM 1182 O ASN A 90 1.366 3.717 16.515 1.00 0.00 O ATOM 1183 CB ASN A 90 4.246 4.237 15.271 1.00 0.00 C ATOM 1184 CG ASN A 90 3.694 4.460 13.876 1.00 0.00 C ATOM 1185 OD1 ASN A 90 4.023 5.445 13.217 1.00 0.00 O ATOM 1186 ND2 ASN A 90 2.849 3.543 13.422 1.00 0.00 N ATOM 0 H ASN A 90 5.294 5.423 17.159 1.00 0.00 H new ATOM 0 HA ASN A 90 2.832 5.740 15.880 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.276 4.592 15.312 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.268 3.168 15.483 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.444 3.639 12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.605 2.742 14.004 1.00 0.00 H new ATOM 1192 N ASP A 91 2.898 3.390 18.129 1.00 0.00 N ATOM 1193 CA ASP A 91 2.082 2.429 18.862 1.00 0.00 C ATOM 1194 C ASP A 91 0.903 3.121 19.538 1.00 0.00 C ATOM 1195 O ASP A 91 -0.188 2.560 19.630 1.00 0.00 O ATOM 1196 CB ASP A 91 2.929 1.700 19.905 1.00 0.00 C ATOM 1197 CG ASP A 91 2.638 0.212 19.951 1.00 0.00 C ATOM 1198 OD1 ASP A 91 2.407 -0.380 18.876 1.00 0.00 O ATOM 1199 OD2 ASP A 91 2.645 -0.359 21.061 1.00 0.00 O ATOM 0 H ASP A 91 3.808 3.578 18.550 1.00 0.00 H new ATOM 0 HA ASP A 91 1.692 1.702 18.150 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.985 1.854 19.683 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.743 2.134 20.887 1.00 0.00 H new ATOM 1203 N ALA A 92 1.131 4.341 20.012 1.00 0.00 N ATOM 1204 CA ALA A 92 0.087 5.109 20.680 1.00 0.00 C ATOM 1205 C ALA A 92 -0.828 5.788 19.666 1.00 0.00 C ATOM 1206 O ALA A 92 -2.052 5.742 19.792 1.00 0.00 O ATOM 1207 CB ALA A 92 0.706 6.142 21.610 1.00 0.00 C ATOM 0 H ALA A 92 2.030 4.819 19.946 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.516 4.420 21.271 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.085 6.708 22.102 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.313 5.637 22.362 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.334 6.821 21.033 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.227 6.418 18.661 1.00 0.00 N ATOM 1214 CA VAL A 93 -0.988 7.107 17.626 1.00 0.00 C ATOM 1215 C VAL A 93 -2.031 6.183 17.006 1.00 0.00 C ATOM 1216 O VAL A 93 -3.219 6.501 16.983 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.066 7.643 16.515 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.852 8.513 15.544 1.00 0.00 C ATOM 1219 CG2 VAL A 93 1.097 8.416 17.115 1.00 0.00 C ATOM 0 H VAL A 93 0.785 6.465 18.542 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.490 7.947 18.106 1.00 0.00 H new ATOM 0 HB VAL A 93 0.339 6.796 15.961 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.185 8.883 14.765 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.648 7.923 15.090 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.287 9.356 16.081 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.738 8.787 16.316 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.715 9.257 17.694 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.673 7.759 17.766 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.577 5.040 16.504 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.471 4.070 15.883 1.00 0.00 C ATOM 1231 C GLU A 94 -3.669 3.779 16.784 1.00 0.00 C ATOM 1232 O GLU A 94 -4.785 3.584 16.305 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.720 2.772 15.577 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.714 2.404 14.103 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.486 1.130 13.817 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -2.024 0.049 14.238 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -3.551 1.215 13.171 1.00 0.00 O ATOM 0 H GLU A 94 -0.596 4.763 16.515 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.836 4.497 14.949 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.691 2.868 15.923 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.172 1.958 16.144 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.144 3.223 13.526 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.684 2.284 13.766 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.425 3.750 18.089 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.481 3.479 19.057 1.00 0.00 C ATOM 1244 C TYR A 95 -5.372 4.703 19.248 1.00 0.00 C ATOM 1245 O TYR A 95 -6.593 4.586 19.352 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.877 3.059 20.398 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.903 2.590 21.404 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.663 3.501 22.127 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -5.113 1.236 21.632 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.601 3.078 23.049 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -6.051 0.802 22.550 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.792 1.727 23.255 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.725 1.300 24.172 1.00 0.00 O ATOM 0 H TYR A 95 -2.506 3.911 18.501 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.093 2.664 18.671 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.156 2.260 20.228 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.327 3.901 20.818 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.518 4.559 21.965 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.533 0.509 21.082 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.181 3.800 23.605 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.203 -0.255 22.714 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.736 0.320 24.195 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.751 5.877 19.293 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.486 7.125 19.469 1.00 0.00 C ATOM 1264 C VAL A 96 -6.397 7.398 18.280 1.00 0.00 C ATOM 1265 O VAL A 96 -7.588 7.662 18.445 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.529 8.318 19.655 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.311 9.589 19.949 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.527 8.030 20.763 1.00 0.00 C ATOM 0 H VAL A 96 -3.741 5.991 19.210 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.092 7.012 20.368 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.977 8.466 18.727 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.618 10.421 20.077 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.984 9.802 19.119 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.892 9.456 20.862 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.859 8.883 20.880 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.059 7.854 21.698 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.944 7.146 20.506 1.00 0.00 H new ATOM 1278 N SER A 97 -5.830 7.333 17.079 1.00 0.00 N ATOM 1279 CA SER A 97 -6.592 7.578 15.860 1.00 0.00 C ATOM 1280 C SER A 97 -7.739 6.583 15.727 1.00 0.00 C ATOM 1281 O SER A 97 -8.785 6.895 15.157 1.00 0.00 O ATOM 1282 CB SER A 97 -5.678 7.485 14.635 1.00 0.00 C ATOM 1283 OG SER A 97 -5.747 8.667 13.857 1.00 0.00 O ATOM 0 H SER A 97 -4.846 7.113 16.924 1.00 0.00 H new ATOM 0 HA SER A 97 -7.010 8.583 15.919 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.650 7.317 14.956 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.966 6.628 14.026 1.00 0.00 H new ATOM 0 HG SER A 97 -5.153 8.583 13.082 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.538 5.381 16.261 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.564 4.357 16.192 1.00 0.00 C ATOM 1290 C GLY A 98 -9.642 4.546 17.241 1.00 0.00 C ATOM 1291 O GLY A 98 -10.757 4.045 17.094 1.00 0.00 O ATOM 0 H GLY A 98 -6.683 5.099 16.740 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.019 4.369 15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.104 3.377 16.320 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.309 5.267 18.307 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.256 5.518 19.386 1.00 0.00 C ATOM 1297 C ARG A 99 -11.064 6.784 19.119 1.00 0.00 C ATOM 1298 O ARG A 99 -12.285 6.798 19.275 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.518 5.645 20.721 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.567 4.382 21.566 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.048 4.675 22.979 1.00 0.00 C ATOM 1302 NE ARG A 99 -9.915 3.514 23.854 1.00 0.00 N ATOM 1303 CZ ARG A 99 -9.896 3.590 25.180 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -10.000 4.769 25.780 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -9.772 2.488 25.909 1.00 0.00 N ATOM 0 H ARG A 99 -8.390 5.687 18.446 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.943 4.673 19.435 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.477 5.903 20.528 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.950 6.469 21.289 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.231 3.655 21.098 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.576 3.930 21.604 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.477 5.507 23.391 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.091 4.989 22.949 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.832 2.593 23.423 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.095 5.618 25.223 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.985 4.826 26.798 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.691 1.580 25.451 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.758 2.549 26.927 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.375 7.845 18.713 1.00 0.00 N ATOM 1317 CA VAL A 100 -11.029 9.115 18.421 1.00 0.00 C ATOM 1318 C VAL A 100 -12.201 8.925 17.466 1.00 0.00 C ATOM 1319 O VAL A 100 -13.181 9.667 17.513 1.00 0.00 O ATOM 1320 CB VAL A 100 -10.040 10.127 17.810 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.756 11.420 17.449 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -8.890 10.396 18.769 1.00 0.00 C ATOM 0 H VAL A 100 -9.364 7.851 18.579 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.399 9.506 19.369 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.628 9.699 16.896 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.043 12.123 17.019 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.542 11.210 16.723 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.197 11.854 18.346 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.202 11.113 18.320 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.281 10.803 19.701 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.361 9.465 18.973 1.00 0.00 H new