USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=11 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+ 169:sc= -0.0108 (180deg=-0.132) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -22:sc= 0.462 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 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 59 SER OG : rot 86:sc= 0.194 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 173:sc= 0 (180deg=-0.0467) 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= -0.137 X(o=-0.14,f=-0.59) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 41.203 33.317 16.371 1.00 0.00 N ATOM 101 CA PHE A 9 40.513 33.949 15.254 1.00 0.00 C ATOM 102 C PHE A 9 40.046 35.353 15.626 1.00 0.00 C ATOM 103 O PHE A 9 39.875 36.213 14.762 1.00 0.00 O ATOM 104 CB PHE A 9 39.316 33.100 14.819 1.00 0.00 C ATOM 105 CG PHE A 9 39.307 32.785 13.351 1.00 0.00 C ATOM 106 CD1 PHE A 9 40.208 31.876 12.818 1.00 0.00 C ATOM 107 CD2 PHE A 9 38.397 33.396 12.503 1.00 0.00 C ATOM 108 CE1 PHE A 9 40.202 31.585 11.467 1.00 0.00 C ATOM 109 CE2 PHE A 9 38.386 33.108 11.151 1.00 0.00 C ATOM 110 CZ PHE A 9 39.290 32.200 10.632 1.00 0.00 C ATOM 0 HA PHE A 9 41.215 34.027 14.424 1.00 0.00 H new ATOM 0 HB2 PHE A 9 39.318 32.167 15.383 1.00 0.00 H new ATOM 0 HB3 PHE A 9 38.396 33.625 15.076 1.00 0.00 H new ATOM 0 HD1 PHE A 9 40.922 31.390 13.466 1.00 0.00 H new ATOM 0 HD2 PHE A 9 37.688 34.106 12.903 1.00 0.00 H new ATOM 0 HE1 PHE A 9 40.911 30.877 11.064 1.00 0.00 H new ATOM 0 HE2 PHE A 9 37.672 33.592 10.501 1.00 0.00 H new ATOM 0 HZ PHE A 9 39.283 31.972 9.576 1.00 0.00 H new ATOM 119 N GLY A 10 39.838 35.578 16.920 1.00 0.00 N ATOM 120 CA GLY A 10 39.392 36.878 17.385 1.00 0.00 C ATOM 121 C GLY A 10 40.326 37.996 16.968 1.00 0.00 C ATOM 122 O GLY A 10 39.905 38.958 16.328 1.00 0.00 O ATOM 0 H GLY A 10 39.971 34.883 17.654 1.00 0.00 H new ATOM 0 HA2 GLY A 10 38.394 37.078 16.994 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.311 36.863 18.472 1.00 0.00 H new ATOM 126 N GLU A 11 41.599 37.869 17.333 1.00 0.00 N ATOM 127 CA GLU A 11 42.594 38.880 16.993 1.00 0.00 C ATOM 128 C GLU A 11 42.585 39.169 15.495 1.00 0.00 C ATOM 129 O GLU A 11 42.497 40.323 15.074 1.00 0.00 O ATOM 130 CB GLU A 11 43.988 38.419 17.426 1.00 0.00 C ATOM 131 CG GLU A 11 44.643 39.337 18.444 1.00 0.00 C ATOM 132 CD GLU A 11 46.075 39.680 18.086 1.00 0.00 C ATOM 133 OE1 GLU A 11 46.956 38.815 18.278 1.00 0.00 O ATOM 134 OE2 GLU A 11 46.316 40.811 17.614 1.00 0.00 O ATOM 0 H GLU A 11 41.965 37.078 17.863 1.00 0.00 H new ATOM 0 HA GLU A 11 42.340 39.797 17.524 1.00 0.00 H new ATOM 0 HB2 GLU A 11 43.915 37.416 17.847 1.00 0.00 H new ATOM 0 HB3 GLU A 11 44.628 38.350 16.547 1.00 0.00 H new ATOM 0 HG2 GLU A 11 44.063 40.256 18.525 1.00 0.00 H new ATOM 0 HG3 GLU A 11 44.622 38.860 19.424 1.00 0.00 H new ATOM 139 N LYS A 12 42.679 38.114 14.692 1.00 0.00 N ATOM 140 CA LYS A 12 42.681 38.253 13.241 1.00 0.00 C ATOM 141 C LYS A 12 41.397 38.918 12.757 1.00 0.00 C ATOM 142 O LYS A 12 41.430 39.813 11.913 1.00 0.00 O ATOM 143 CB LYS A 12 42.840 36.884 12.578 1.00 0.00 C ATOM 144 CG LYS A 12 43.987 36.064 13.144 1.00 0.00 C ATOM 145 CD LYS A 12 45.301 36.823 13.080 1.00 0.00 C ATOM 146 CE LYS A 12 46.449 36.000 13.642 1.00 0.00 C ATOM 147 NZ LYS A 12 46.730 34.799 12.809 1.00 0.00 N ATOM 0 H LYS A 12 42.755 37.152 15.023 1.00 0.00 H new ATOM 0 HA LYS A 12 43.524 38.885 12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 12 41.912 36.324 12.693 1.00 0.00 H new ATOM 0 HB3 LYS A 12 42.997 37.024 11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 12 43.769 35.798 14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 12 44.077 35.131 12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 12 45.517 37.092 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 12 45.212 37.754 13.639 1.00 0.00 H new ATOM 0 HE2 LYS A 12 47.344 36.619 13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 12 46.209 35.689 14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 47.627 34.368 13.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 45.959 34.110 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 46.800 35.078 11.810 1.00 0.00 H new ATOM 157 N ALA A 13 40.266 38.475 13.296 1.00 0.00 N ATOM 158 CA ALA A 13 38.971 39.030 12.921 1.00 0.00 C ATOM 159 C ALA A 13 38.966 40.550 13.053 1.00 0.00 C ATOM 160 O ALA A 13 38.612 41.263 12.115 1.00 0.00 O ATOM 161 CB ALA A 13 37.868 38.421 13.773 1.00 0.00 C ATOM 0 H ALA A 13 40.220 37.733 13.994 1.00 0.00 H new ATOM 0 HA ALA A 13 38.786 38.781 11.876 1.00 0.00 H new ATOM 0 HB1 ALA A 13 36.907 38.845 13.482 1.00 0.00 H new ATOM 0 HB2 ALA A 13 37.848 37.341 13.625 1.00 0.00 H new ATOM 0 HB3 ALA A 13 38.057 38.640 14.824 1.00 0.00 H new ATOM 167 N SER A 14 39.360 41.037 14.225 1.00 0.00 N ATOM 168 CA SER A 14 39.397 42.472 14.481 1.00 0.00 C ATOM 169 C SER A 14 40.373 43.169 13.539 1.00 0.00 C ATOM 170 O SER A 14 40.213 44.347 13.223 1.00 0.00 O ATOM 171 CB SER A 14 39.793 42.743 15.935 1.00 0.00 C ATOM 172 OG SER A 14 38.651 42.963 16.742 1.00 0.00 O ATOM 0 H SER A 14 39.658 40.460 15.012 1.00 0.00 H new ATOM 0 HA SER A 14 38.399 42.872 14.302 1.00 0.00 H new ATOM 0 HB2 SER A 14 40.360 41.897 16.324 1.00 0.00 H new ATOM 0 HB3 SER A 14 40.447 43.613 15.981 1.00 0.00 H new ATOM 0 HG SER A 14 38.931 43.132 17.666 1.00 0.00 H new ATOM 177 N GLU A 15 41.384 42.430 13.093 1.00 0.00 N ATOM 178 CA GLU A 15 42.388 42.976 12.187 1.00 0.00 C ATOM 179 C GLU A 15 41.858 43.030 10.757 1.00 0.00 C ATOM 180 O GLU A 15 42.184 43.940 9.997 1.00 0.00 O ATOM 181 CB GLU A 15 43.665 42.136 12.239 1.00 0.00 C ATOM 182 CG GLU A 15 44.498 42.373 13.487 1.00 0.00 C ATOM 183 CD GLU A 15 45.930 42.764 13.167 1.00 0.00 C ATOM 184 OE1 GLU A 15 46.126 43.604 12.265 1.00 0.00 O ATOM 185 OE2 GLU A 15 46.851 42.230 13.819 1.00 0.00 O ATOM 0 H GLU A 15 41.530 41.452 13.344 1.00 0.00 H new ATOM 0 HA GLU A 15 42.618 43.992 12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.398 41.081 12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.271 42.357 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.035 43.159 14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.499 41.469 14.096 1.00 0.00 H new ATOM 190 N ALA A 16 41.039 42.045 10.399 1.00 0.00 N ATOM 191 CA ALA A 16 40.463 41.979 9.062 1.00 0.00 C ATOM 192 C ALA A 16 39.526 43.155 8.809 1.00 0.00 C ATOM 193 O ALA A 16 39.642 43.848 7.798 1.00 0.00 O ATOM 194 CB ALA A 16 39.723 40.662 8.871 1.00 0.00 C ATOM 0 H ALA A 16 40.760 41.283 11.017 1.00 0.00 H new ATOM 0 HA ALA A 16 41.277 42.035 8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 16 39.298 40.626 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 16 40.418 39.832 9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 16 38.923 40.584 9.607 1.00 0.00 H new ATOM 200 N LEU A 17 38.598 43.375 9.733 1.00 0.00 N ATOM 201 CA LEU A 17 37.641 44.470 9.611 1.00 0.00 C ATOM 202 C LEU A 17 38.349 45.820 9.639 1.00 0.00 C ATOM 203 O LEU A 17 37.993 46.735 8.895 1.00 0.00 O ATOM 204 CB LEU A 17 36.607 44.398 10.738 1.00 0.00 C ATOM 205 CG LEU A 17 37.150 44.573 12.156 1.00 0.00 C ATOM 206 CD1 LEU A 17 37.164 46.043 12.545 1.00 0.00 C ATOM 207 CD2 LEU A 17 36.324 43.766 13.146 1.00 0.00 C ATOM 0 H LEU A 17 38.487 42.810 10.575 1.00 0.00 H new ATOM 0 HA LEU A 17 37.132 44.369 8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 17 35.852 45.165 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 17 36.102 43.434 10.680 1.00 0.00 H new ATOM 0 HG LEU A 17 38.175 44.202 12.180 1.00 0.00 H new ATOM 0 HD11 LEU A 17 37.554 46.148 13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 17 37.799 46.596 11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 36.150 46.440 12.504 1.00 0.00 H new ATOM 0 HD21 LEU A 17 36.725 43.902 14.150 1.00 0.00 H new ATOM 0 HD22 LEU A 17 35.289 44.106 13.119 1.00 0.00 H new ATOM 0 HD23 LEU A 17 36.366 42.710 12.879 1.00 0.00 H new ATOM 218 N LYS A 18 39.354 45.937 10.499 1.00 0.00 N ATOM 219 CA LYS A 18 40.116 47.174 10.622 1.00 0.00 C ATOM 220 C LYS A 18 40.815 47.515 9.310 1.00 0.00 C ATOM 221 O LYS A 18 41.014 46.663 8.445 1.00 0.00 O ATOM 222 CB LYS A 18 41.149 47.051 11.745 1.00 0.00 C ATOM 223 CG LYS A 18 40.796 47.850 12.986 1.00 0.00 C ATOM 224 CD LYS A 18 42.029 48.473 13.619 1.00 0.00 C ATOM 225 CE LYS A 18 41.748 48.956 15.034 1.00 0.00 C ATOM 226 NZ LYS A 18 42.743 49.968 15.482 1.00 0.00 N ATOM 0 H LYS A 18 39.660 45.190 11.122 1.00 0.00 H new ATOM 0 HA LYS A 18 39.420 47.978 10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 18 41.254 46.001 12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 18 42.119 47.383 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 18 40.085 48.634 12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 18 40.303 47.201 13.710 1.00 0.00 H new ATOM 0 HD2 LYS A 18 42.838 47.743 13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 18 42.369 49.310 13.009 1.00 0.00 H new ATOM 0 HE2 LYS A 18 40.747 49.386 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 18 41.761 48.107 15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 42.517 50.272 16.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 43.695 49.550 15.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 42.713 50.790 14.845 1.00 0.00 H new ATOM 311 N TYR A 25 51.325 43.469 4.498 1.00 0.00 N ATOM 312 CA TYR A 25 52.029 42.193 4.537 1.00 0.00 C ATOM 313 C TYR A 25 51.905 41.543 5.912 1.00 0.00 C ATOM 314 O TYR A 25 51.942 40.320 6.039 1.00 0.00 O ATOM 315 CB TYR A 25 53.506 42.389 4.186 1.00 0.00 C ATOM 316 CG TYR A 25 53.858 41.948 2.784 1.00 0.00 C ATOM 317 CD1 TYR A 25 53.035 42.258 1.709 1.00 0.00 C ATOM 318 CD2 TYR A 25 55.015 41.219 2.533 1.00 0.00 C ATOM 319 CE1 TYR A 25 53.353 41.856 0.425 1.00 0.00 C ATOM 320 CE2 TYR A 25 55.341 40.815 1.253 1.00 0.00 C ATOM 321 CZ TYR A 25 54.507 41.136 0.203 1.00 0.00 C ATOM 322 OH TYR A 25 54.828 40.733 -1.073 1.00 0.00 O ATOM 0 HA TYR A 25 51.571 41.533 3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 25 53.762 43.442 4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 25 54.117 41.833 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 25 52.131 42.823 1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 25 55.670 40.964 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 25 52.701 42.105 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 25 56.245 40.251 1.076 1.00 0.00 H new ATOM 0 HH TYR A 25 55.673 40.237 -1.057 1.00 0.00 H new ATOM 331 N ALA A 26 51.754 42.373 6.939 1.00 0.00 N ATOM 332 CA ALA A 26 51.620 41.881 8.304 1.00 0.00 C ATOM 333 C ALA A 26 50.534 40.814 8.400 1.00 0.00 C ATOM 334 O ALA A 26 50.738 39.760 9.000 1.00 0.00 O ATOM 335 CB ALA A 26 51.318 43.032 9.253 1.00 0.00 C ATOM 0 H ALA A 26 51.721 43.389 6.851 1.00 0.00 H new ATOM 0 HA ALA A 26 52.567 41.425 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 26 51.220 42.650 10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 26 52.130 43.758 9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 26 50.387 43.514 8.956 1.00 0.00 H new ATOM 341 N GLU A 27 49.380 41.097 7.805 1.00 0.00 N ATOM 342 CA GLU A 27 48.261 40.162 7.825 1.00 0.00 C ATOM 343 C GLU A 27 48.476 39.035 6.819 1.00 0.00 C ATOM 344 O GLU A 27 48.133 37.884 7.080 1.00 0.00 O ATOM 345 CB GLU A 27 46.951 40.893 7.519 1.00 0.00 C ATOM 346 CG GLU A 27 45.833 40.571 8.496 1.00 0.00 C ATOM 347 CD GLU A 27 44.785 41.665 8.563 1.00 0.00 C ATOM 348 OE1 GLU A 27 45.145 42.809 8.908 1.00 0.00 O ATOM 349 OE2 GLU A 27 43.606 41.377 8.270 1.00 0.00 O ATOM 0 H GLU A 27 49.195 41.966 7.303 1.00 0.00 H new ATOM 0 HA GLU A 27 48.201 39.728 8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 27 47.133 41.968 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 27 46.627 40.634 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 27 45.358 39.635 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 27 46.256 40.417 9.489 1.00 0.00 H new ATOM 354 N GLN A 28 49.045 39.379 5.669 1.00 0.00 N ATOM 355 CA GLN A 28 49.304 38.396 4.622 1.00 0.00 C ATOM 356 C GLN A 28 50.126 37.230 5.162 1.00 0.00 C ATOM 357 O GLN A 28 49.757 36.068 4.994 1.00 0.00 O ATOM 358 CB GLN A 28 50.037 39.050 3.449 1.00 0.00 C ATOM 359 CG GLN A 28 49.307 40.252 2.872 1.00 0.00 C ATOM 360 CD GLN A 28 49.840 40.661 1.512 1.00 0.00 C ATOM 361 OE1 GLN A 28 50.875 40.167 1.064 1.00 0.00 O ATOM 362 NE2 GLN A 28 49.134 41.567 0.846 1.00 0.00 N ATOM 0 H GLN A 28 49.335 40.329 5.438 1.00 0.00 H new ATOM 0 HA GLN A 28 48.345 38.012 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 28 51.029 39.361 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 28 50.180 38.310 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 28 48.245 40.021 2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.397 41.092 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 28 48.282 41.951 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.444 41.879 -0.074 1.00 0.00 H new ATOM 369 N GLY A 29 51.242 37.548 5.811 1.00 0.00 N ATOM 370 CA GLY A 29 52.097 36.515 6.366 1.00 0.00 C ATOM 371 C GLY A 29 51.389 35.672 7.407 1.00 0.00 C ATOM 372 O GLY A 29 51.374 34.445 7.318 1.00 0.00 O ATOM 0 H GLY A 29 51.569 38.502 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 29 52.452 35.871 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.976 36.978 6.815 1.00 0.00 H new ATOM 376 N LYS A 30 50.800 36.333 8.400 1.00 0.00 N ATOM 377 CA LYS A 30 50.087 35.637 9.465 1.00 0.00 C ATOM 378 C LYS A 30 49.094 34.634 8.888 1.00 0.00 C ATOM 379 O LYS A 30 49.120 33.453 9.233 1.00 0.00 O ATOM 380 CB LYS A 30 49.355 36.642 10.356 1.00 0.00 C ATOM 381 CG LYS A 30 50.278 37.643 11.029 1.00 0.00 C ATOM 382 CD LYS A 30 49.523 38.887 11.469 1.00 0.00 C ATOM 383 CE LYS A 30 49.219 38.854 12.958 1.00 0.00 C ATOM 384 NZ LYS A 30 50.215 39.634 13.745 1.00 0.00 N ATOM 0 H LYS A 30 50.803 37.349 8.489 1.00 0.00 H new ATOM 0 HA LYS A 30 50.817 35.094 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 30 48.623 37.182 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 48.801 36.100 11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 30 50.752 37.179 11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 30 51.075 37.924 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 30 50.113 39.774 11.236 1.00 0.00 H new ATOM 0 HD3 LYS A 30 48.592 38.967 10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 30 48.221 39.257 13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 30 49.211 37.821 13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 49.973 39.587 14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.164 39.235 13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 50.205 40.626 13.432 1.00 0.00 H new ATOM 394 N GLU A 31 48.220 35.112 8.008 1.00 0.00 N ATOM 395 CA GLU A 31 47.218 34.255 7.384 1.00 0.00 C ATOM 396 C GLU A 31 47.880 33.146 6.571 1.00 0.00 C ATOM 397 O GLU A 31 47.319 32.064 6.404 1.00 0.00 O ATOM 398 CB GLU A 31 46.297 35.081 6.484 1.00 0.00 C ATOM 399 CG GLU A 31 45.636 34.271 5.381 1.00 0.00 C ATOM 400 CD GLU A 31 44.795 33.131 5.919 1.00 0.00 C ATOM 401 OE1 GLU A 31 44.543 33.105 7.142 1.00 0.00 O ATOM 402 OE2 GLU A 31 44.388 32.264 5.117 1.00 0.00 O ATOM 0 H GLU A 31 48.185 36.087 7.711 1.00 0.00 H new ATOM 0 HA GLU A 31 46.625 33.797 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 31 45.523 35.543 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 31 46.873 35.890 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 31 45.008 34.928 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 31 46.404 33.870 4.720 1.00 0.00 H new ATOM 407 N TYR A 32 49.078 33.425 6.068 1.00 0.00 N ATOM 408 CA TYR A 32 49.817 32.453 5.270 1.00 0.00 C ATOM 409 C TYR A 32 50.136 31.207 6.089 1.00 0.00 C ATOM 410 O TYR A 32 49.826 30.087 5.683 1.00 0.00 O ATOM 411 CB TYR A 32 51.110 33.075 4.740 1.00 0.00 C ATOM 412 CG TYR A 32 51.842 32.197 3.750 1.00 0.00 C ATOM 413 CD1 TYR A 32 52.641 31.146 4.182 1.00 0.00 C ATOM 414 CD2 TYR A 32 51.733 32.419 2.383 1.00 0.00 C ATOM 415 CE1 TYR A 32 53.313 30.343 3.281 1.00 0.00 C ATOM 416 CE2 TYR A 32 52.400 31.620 1.474 1.00 0.00 C ATOM 417 CZ TYR A 32 53.189 30.583 1.928 1.00 0.00 C ATOM 418 OH TYR A 32 53.854 29.785 1.028 1.00 0.00 O ATOM 0 H TYR A 32 49.558 34.316 6.199 1.00 0.00 H new ATOM 0 HA TYR A 32 49.191 32.161 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 32 50.877 34.028 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 32 51.771 33.291 5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 32 52.738 30.953 5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 32 51.116 33.230 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 32 53.932 29.532 3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 32 52.304 31.806 0.414 1.00 0.00 H new ATOM 0 HH TYR A 32 53.659 30.087 0.116 1.00 0.00 H new ATOM 427 N ILE A 33 50.759 31.411 7.245 1.00 0.00 N ATOM 428 CA ILE A 33 51.120 30.304 8.123 1.00 0.00 C ATOM 429 C ILE A 33 49.900 29.459 8.471 1.00 0.00 C ATOM 430 O ILE A 33 49.892 28.245 8.262 1.00 0.00 O ATOM 431 CB ILE A 33 51.770 30.808 9.425 1.00 0.00 C ATOM 432 CG1 ILE A 33 52.872 31.820 9.112 1.00 0.00 C ATOM 433 CG2 ILE A 33 52.328 29.640 10.225 1.00 0.00 C ATOM 434 CD1 ILE A 33 52.544 33.229 9.555 1.00 0.00 C ATOM 0 H ILE A 33 51.024 32.332 7.595 1.00 0.00 H new ATOM 0 HA ILE A 33 51.840 29.692 7.580 1.00 0.00 H new ATOM 0 HB ILE A 33 51.008 31.304 10.026 1.00 0.00 H new ATOM 0 HG12 ILE A 33 53.795 31.501 9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 33 53.059 31.820 8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 33 52.784 30.012 11.142 1.00 0.00 H new ATOM 0 HG22 ILE A 33 51.521 28.951 10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 33 53.079 29.119 9.632 1.00 0.00 H new ATOM 0 HD11 ILE A 33 53.371 33.892 9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 33 51.639 33.568 9.051 1.00 0.00 H new ATOM 0 HD13 ILE A 33 52.386 33.244 10.633 1.00 0.00 H new ATOM 445 N THR A 34 48.869 30.107 9.004 1.00 0.00 N ATOM 446 CA THR A 34 47.643 29.415 9.381 1.00 0.00 C ATOM 447 C THR A 34 47.150 28.514 8.252 1.00 0.00 C ATOM 448 O THR A 34 46.839 27.344 8.472 1.00 0.00 O ATOM 449 CB THR A 34 46.528 30.410 9.752 1.00 0.00 C ATOM 450 OG1 THR A 34 46.285 31.304 8.660 1.00 0.00 O ATOM 451 CG2 THR A 34 46.904 31.208 10.991 1.00 0.00 C ATOM 0 H THR A 34 48.859 31.111 9.184 1.00 0.00 H new ATOM 0 HA THR A 34 47.880 28.805 10.252 1.00 0.00 H new ATOM 0 HB THR A 34 45.622 29.842 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 34 47.074 31.333 8.079 1.00 0.00 H new ATOM 0 HG21 THR A 34 46.101 31.904 11.233 1.00 0.00 H new ATOM 0 HG22 THR A 34 47.060 30.528 11.828 1.00 0.00 H new ATOM 0 HG23 THR A 34 47.821 31.765 10.801 1.00 0.00 H new ATOM 459 N ASP A 35 47.081 29.069 7.047 1.00 0.00 N ATOM 460 CA ASP A 35 46.627 28.316 5.884 1.00 0.00 C ATOM 461 C ASP A 35 47.465 27.054 5.694 1.00 0.00 C ATOM 462 O ASP A 35 46.953 26.015 5.278 1.00 0.00 O ATOM 463 CB ASP A 35 46.700 29.184 4.627 1.00 0.00 C ATOM 464 CG ASP A 35 45.505 28.983 3.716 1.00 0.00 C ATOM 465 OD1 ASP A 35 45.504 28.001 2.947 1.00 0.00 O ATOM 466 OD2 ASP A 35 44.570 29.810 3.772 1.00 0.00 O ATOM 0 H ASP A 35 47.334 30.037 6.850 1.00 0.00 H new ATOM 0 HA ASP A 35 45.591 28.022 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 35 46.761 30.233 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 35 47.614 28.951 4.080 1.00 0.00 H new ATOM 470 N LYS A 36 48.753 27.154 6.002 1.00 0.00 N ATOM 471 CA LYS A 36 49.662 26.021 5.866 1.00 0.00 C ATOM 472 C LYS A 36 49.392 24.974 6.942 1.00 0.00 C ATOM 473 O LYS A 36 49.373 23.776 6.664 1.00 0.00 O ATOM 474 CB LYS A 36 51.115 26.494 5.953 1.00 0.00 C ATOM 475 CG LYS A 36 51.523 27.417 4.818 1.00 0.00 C ATOM 476 CD LYS A 36 52.208 26.654 3.698 1.00 0.00 C ATOM 477 CE LYS A 36 53.714 26.588 3.908 1.00 0.00 C ATOM 478 NZ LYS A 36 54.352 25.567 3.034 1.00 0.00 N ATOM 0 H LYS A 36 49.192 28.008 6.348 1.00 0.00 H new ATOM 0 HA LYS A 36 49.492 25.566 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 36 51.264 27.010 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 36 51.772 25.624 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 36 50.642 27.926 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 36 52.194 28.188 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 36 51.803 25.644 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 36 51.993 27.135 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 36 54.152 27.565 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 36 53.925 26.355 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 55.377 25.553 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 53.953 24.630 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 54.173 25.802 2.037 1.00 0.00 H new ATOM 488 N ALA A 37 49.181 25.435 8.171 1.00 0.00 N ATOM 489 CA ALA A 37 48.908 24.539 9.286 1.00 0.00 C ATOM 490 C ALA A 37 47.569 23.831 9.108 1.00 0.00 C ATOM 491 O ALA A 37 47.368 22.725 9.610 1.00 0.00 O ATOM 492 CB ALA A 37 48.930 25.307 10.598 1.00 0.00 C ATOM 0 H ALA A 37 49.194 26.424 8.419 1.00 0.00 H new ATOM 0 HA ALA A 37 49.690 23.780 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 37 48.724 24.624 11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 37 49.911 25.760 10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 37 48.170 26.088 10.575 1.00 0.00 H new ATOM 498 N ASP A 38 46.657 24.475 8.389 1.00 0.00 N ATOM 499 CA ASP A 38 45.336 23.907 8.143 1.00 0.00 C ATOM 500 C ASP A 38 45.403 22.814 7.081 1.00 0.00 C ATOM 501 O ASP A 38 44.766 21.768 7.208 1.00 0.00 O ATOM 502 CB ASP A 38 44.359 25.000 7.706 1.00 0.00 C ATOM 503 CG ASP A 38 43.020 24.894 8.409 1.00 0.00 C ATOM 504 OD1 ASP A 38 42.879 25.472 9.507 1.00 0.00 O ATOM 505 OD2 ASP A 38 42.113 24.235 7.859 1.00 0.00 O ATOM 0 H ASP A 38 46.808 25.391 7.966 1.00 0.00 H new ATOM 0 HA ASP A 38 44.980 23.464 9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 38 44.797 25.977 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 38 44.206 24.937 6.629 1.00 0.00 H new ATOM 509 N LYS A 39 46.181 23.063 6.033 1.00 0.00 N ATOM 510 CA LYS A 39 46.332 22.101 4.947 1.00 0.00 C ATOM 511 C LYS A 39 47.079 20.858 5.422 1.00 0.00 C ATOM 512 O LYS A 39 46.597 19.737 5.269 1.00 0.00 O ATOM 513 CB LYS A 39 47.078 22.739 3.774 1.00 0.00 C ATOM 514 CG LYS A 39 46.164 23.217 2.659 1.00 0.00 C ATOM 515 CD LYS A 39 46.445 22.489 1.356 1.00 0.00 C ATOM 516 CE LYS A 39 45.699 23.121 0.190 1.00 0.00 C ATOM 517 NZ LYS A 39 45.612 22.202 -0.978 1.00 0.00 N ATOM 0 H LYS A 39 46.717 23.923 5.912 1.00 0.00 H new ATOM 0 HA LYS A 39 45.337 21.802 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 39 47.661 23.583 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 39 47.785 22.016 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 39 45.125 23.060 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 39 46.296 24.289 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 39 47.516 22.503 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 39 46.153 21.443 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 39 44.694 23.398 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 39 46.203 24.040 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 45.097 22.670 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 46.570 21.957 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 45.108 21.335 -0.701 1.00 0.00 H new ATOM 527 N VAL A 40 48.259 21.067 5.999 1.00 0.00 N ATOM 528 CA VAL A 40 49.071 19.964 6.498 1.00 0.00 C ATOM 529 C VAL A 40 48.280 19.094 7.469 1.00 0.00 C ATOM 530 O VAL A 40 48.429 17.874 7.487 1.00 0.00 O ATOM 531 CB VAL A 40 50.341 20.476 7.203 1.00 0.00 C ATOM 532 CG1 VAL A 40 49.976 21.404 8.353 1.00 0.00 C ATOM 533 CG2 VAL A 40 51.184 19.309 7.695 1.00 0.00 C ATOM 0 H VAL A 40 48.673 21.990 6.132 1.00 0.00 H new ATOM 0 HA VAL A 40 49.360 19.367 5.633 1.00 0.00 H new ATOM 0 HB VAL A 40 50.932 21.043 6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 40 50.886 21.756 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 40 49.417 22.257 7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 40 49.364 20.865 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 40 52.077 19.689 8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 40 50.604 18.713 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 40 51.475 18.688 6.848 1.00 0.00 H new ATOM 543 N ALA A 41 47.437 19.732 8.273 1.00 0.00 N ATOM 544 CA ALA A 41 46.619 19.017 9.246 1.00 0.00 C ATOM 545 C ALA A 41 45.441 18.324 8.569 1.00 0.00 C ATOM 546 O ALA A 41 45.248 17.118 8.720 1.00 0.00 O ATOM 547 CB ALA A 41 46.125 19.972 10.322 1.00 0.00 C ATOM 0 H ALA A 41 47.302 20.743 8.270 1.00 0.00 H new ATOM 0 HA ALA A 41 47.238 18.251 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 41 45.516 19.425 11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 41 46.979 20.417 10.833 1.00 0.00 H new ATOM 0 HB3 ALA A 41 45.526 20.759 9.863 1.00 0.00 H new ATOM 553 N GLY A 42 44.656 19.095 7.822 1.00 0.00 N ATOM 554 CA GLY A 42 43.506 18.536 7.134 1.00 0.00 C ATOM 555 C GLY A 42 43.885 17.408 6.196 1.00 0.00 C ATOM 556 O GLY A 42 43.128 16.451 6.026 1.00 0.00 O ATOM 0 H GLY A 42 44.796 20.096 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 42 42.790 18.168 7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 42 43.007 19.323 6.568 1.00 0.00 H new ATOM 560 N LYS A 43 45.058 17.517 5.583 1.00 0.00 N ATOM 561 CA LYS A 43 45.536 16.497 4.656 1.00 0.00 C ATOM 562 C LYS A 43 45.674 15.149 5.355 1.00 0.00 C ATOM 563 O LYS A 43 45.687 14.102 4.707 1.00 0.00 O ATOM 564 CB LYS A 43 46.883 16.914 4.059 1.00 0.00 C ATOM 565 CG LYS A 43 46.772 17.506 2.664 1.00 0.00 C ATOM 566 CD LYS A 43 46.203 16.502 1.676 1.00 0.00 C ATOM 567 CE LYS A 43 47.174 16.233 0.536 1.00 0.00 C ATOM 568 NZ LYS A 43 46.463 15.944 -0.741 1.00 0.00 N ATOM 0 H LYS A 43 45.696 18.302 5.711 1.00 0.00 H new ATOM 0 HA LYS A 43 44.804 16.397 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 43 47.353 17.644 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 47.541 16.045 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 43 46.136 18.390 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 43 47.756 17.832 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 43 45.978 15.569 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 43 45.262 16.878 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 47.825 17.097 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 43 47.813 15.389 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 47.159 15.766 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 45.861 15.105 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 45.872 16.759 -1.002 1.00 0.00 H new ATOM 675 N GLY A 51 30.817 6.291 14.501 1.00 0.00 N ATOM 676 CA GLY A 51 29.426 6.687 14.624 1.00 0.00 C ATOM 677 C GLY A 51 28.511 5.873 13.731 1.00 0.00 C ATOM 678 O GLY A 51 28.702 5.822 12.515 1.00 0.00 O ATOM 0 HA2 GLY A 51 29.110 6.575 15.661 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.328 7.743 14.373 1.00 0.00 H new ATOM 682 N VAL A 52 27.514 5.233 14.334 1.00 0.00 N ATOM 683 CA VAL A 52 26.566 4.417 13.584 1.00 0.00 C ATOM 684 C VAL A 52 25.827 5.249 12.543 1.00 0.00 C ATOM 685 O VAL A 52 25.349 4.724 11.537 1.00 0.00 O ATOM 686 CB VAL A 52 25.538 3.752 14.518 1.00 0.00 C ATOM 687 CG1 VAL A 52 24.606 2.846 13.728 1.00 0.00 C ATOM 688 CG2 VAL A 52 26.243 2.975 15.620 1.00 0.00 C ATOM 0 H VAL A 52 27.342 5.264 15.339 1.00 0.00 H new ATOM 0 HA VAL A 52 27.144 3.642 13.081 1.00 0.00 H new ATOM 0 HB VAL A 52 24.938 4.534 14.983 1.00 0.00 H new ATOM 0 HG11 VAL A 52 23.887 2.385 14.405 1.00 0.00 H new ATOM 0 HG12 VAL A 52 24.075 3.434 12.980 1.00 0.00 H new ATOM 0 HG13 VAL A 52 25.188 2.069 13.233 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.501 2.512 16.270 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.870 2.202 15.176 1.00 0.00 H new ATOM 0 HG23 VAL A 52 26.864 3.654 16.204 1.00 0.00 H new ATOM 698 N PHE A 53 25.736 6.551 12.790 1.00 0.00 N ATOM 699 CA PHE A 53 25.055 7.459 11.874 1.00 0.00 C ATOM 700 C PHE A 53 26.058 8.330 11.123 1.00 0.00 C ATOM 701 O PHE A 53 26.036 8.401 9.896 1.00 0.00 O ATOM 702 CB PHE A 53 24.066 8.341 12.638 1.00 0.00 C ATOM 703 CG PHE A 53 22.653 8.226 12.143 1.00 0.00 C ATOM 704 CD1 PHE A 53 22.036 6.989 12.050 1.00 0.00 C ATOM 705 CD2 PHE A 53 21.941 9.355 11.770 1.00 0.00 C ATOM 706 CE1 PHE A 53 20.735 6.880 11.595 1.00 0.00 C ATOM 707 CE2 PHE A 53 20.641 9.252 11.312 1.00 0.00 C ATOM 708 CZ PHE A 53 20.037 8.013 11.227 1.00 0.00 C ATOM 0 H PHE A 53 26.126 7.002 13.618 1.00 0.00 H new ATOM 0 HA PHE A 53 24.508 6.858 11.147 1.00 0.00 H new ATOM 0 HB2 PHE A 53 24.095 8.074 13.695 1.00 0.00 H new ATOM 0 HB3 PHE A 53 24.385 9.380 12.563 1.00 0.00 H new ATOM 0 HD1 PHE A 53 22.578 6.100 12.336 1.00 0.00 H new ATOM 0 HD2 PHE A 53 22.407 10.327 11.838 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.265 5.910 11.528 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.098 10.139 11.021 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.020 7.930 10.873 1.00 0.00 H new ATOM 717 N GLN A 54 26.935 8.990 11.873 1.00 0.00 N ATOM 718 CA GLN A 54 27.945 9.858 11.279 1.00 0.00 C ATOM 719 C GLN A 54 28.836 9.077 10.318 1.00 0.00 C ATOM 720 O GLN A 54 29.405 9.643 9.385 1.00 0.00 O ATOM 721 CB GLN A 54 28.799 10.505 12.372 1.00 0.00 C ATOM 722 CG GLN A 54 28.498 11.980 12.584 1.00 0.00 C ATOM 723 CD GLN A 54 29.716 12.858 12.379 1.00 0.00 C ATOM 724 OE1 GLN A 54 30.208 13.005 11.259 1.00 0.00 O ATOM 725 NE2 GLN A 54 30.209 13.450 13.460 1.00 0.00 N ATOM 0 H GLN A 54 26.967 8.940 12.891 1.00 0.00 H new ATOM 0 HA GLN A 54 27.432 10.639 10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 54 28.640 9.972 13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 54 29.852 10.391 12.115 1.00 0.00 H new ATOM 0 HG2 GLN A 54 27.712 12.289 11.896 1.00 0.00 H new ATOM 0 HG3 GLN A 54 28.114 12.127 13.593 1.00 0.00 H new ATOM 0 HE21 GLN A 54 29.770 13.300 14.368 1.00 0.00 H new ATOM 0 HE22 GLN A 54 31.027 14.054 13.382 1.00 0.00 H new ATOM 732 N GLY A 55 28.954 7.774 10.553 1.00 0.00 N ATOM 733 CA GLY A 55 29.778 6.939 9.700 1.00 0.00 C ATOM 734 C GLY A 55 29.189 6.766 8.314 1.00 0.00 C ATOM 735 O GLY A 55 29.896 6.411 7.371 1.00 0.00 O ATOM 0 H GLY A 55 28.494 7.282 11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.772 7.379 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 55 29.901 5.960 10.164 1.00 0.00 H new ATOM 739 N VAL A 56 27.890 7.017 8.189 1.00 0.00 N ATOM 740 CA VAL A 56 27.206 6.888 6.907 1.00 0.00 C ATOM 741 C VAL A 56 27.796 7.838 5.871 1.00 0.00 C ATOM 742 O VAL A 56 27.785 7.552 4.673 1.00 0.00 O ATOM 743 CB VAL A 56 25.698 7.171 7.045 1.00 0.00 C ATOM 744 CG1 VAL A 56 25.007 7.050 5.696 1.00 0.00 C ATOM 745 CG2 VAL A 56 25.071 6.228 8.060 1.00 0.00 C ATOM 0 H VAL A 56 27.290 7.311 8.960 1.00 0.00 H new ATOM 0 HA VAL A 56 27.347 5.859 6.575 1.00 0.00 H new ATOM 0 HB VAL A 56 25.568 8.192 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 56 23.943 7.253 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.439 7.769 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.143 6.041 5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 56 24.006 6.442 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 56 25.210 5.197 7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 56 25.548 6.368 9.030 1.00 0.00 H new ATOM 755 N HIS A 57 28.312 8.971 6.341 1.00 0.00 N ATOM 756 CA HIS A 57 28.909 9.963 5.453 1.00 0.00 C ATOM 757 C HIS A 57 30.406 9.715 5.289 1.00 0.00 C ATOM 758 O HIS A 57 30.922 9.690 4.172 1.00 0.00 O ATOM 759 CB HIS A 57 28.671 11.371 5.998 1.00 0.00 C ATOM 760 CG HIS A 57 28.867 12.449 4.976 1.00 0.00 C ATOM 761 ND1 HIS A 57 29.853 13.409 5.075 1.00 0.00 N ATOM 762 CD2 HIS A 57 28.201 12.714 3.828 1.00 0.00 C ATOM 763 CE1 HIS A 57 29.782 14.220 4.033 1.00 0.00 C ATOM 764 NE2 HIS A 57 28.788 13.818 3.261 1.00 0.00 N ATOM 0 H HIS A 57 28.328 9.224 7.329 1.00 0.00 H new ATOM 0 HA HIS A 57 28.435 9.873 4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 57 27.656 11.433 6.390 1.00 0.00 H new ATOM 0 HB3 HIS A 57 29.347 11.547 6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 57 27.363 12.160 3.431 1.00 0.00 H new ATOM 0 HE1 HIS A 57 30.426 15.066 3.845 1.00 0.00 H new ATOM 0 HE2 HIS A 57 28.503 14.257 2.385 1.00 0.00 H new ATOM 771 N ASP A 58 31.097 9.532 6.410 1.00 0.00 N ATOM 772 CA ASP A 58 32.533 9.285 6.389 1.00 0.00 C ATOM 773 C ASP A 58 32.854 8.000 5.634 1.00 0.00 C ATOM 774 O ASP A 58 33.954 7.835 5.105 1.00 0.00 O ATOM 775 CB ASP A 58 33.078 9.202 7.817 1.00 0.00 C ATOM 776 CG ASP A 58 34.216 10.173 8.060 1.00 0.00 C ATOM 777 OD1 ASP A 58 34.964 10.461 7.102 1.00 0.00 O ATOM 778 OD2 ASP A 58 34.360 10.645 9.207 1.00 0.00 O ATOM 0 H ASP A 58 30.685 9.550 7.343 1.00 0.00 H new ATOM 0 HA ASP A 58 33.012 10.117 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 58 32.273 9.407 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.423 8.187 8.013 1.00 0.00 H new ATOM 782 N SER A 59 31.887 7.089 5.589 1.00 0.00 N ATOM 783 CA SER A 59 32.068 5.816 4.902 1.00 0.00 C ATOM 784 C SER A 59 32.452 6.034 3.441 1.00 0.00 C ATOM 785 O SER A 59 33.076 5.178 2.816 1.00 0.00 O ATOM 786 CB SER A 59 30.787 4.981 4.984 1.00 0.00 C ATOM 787 OG SER A 59 30.871 4.019 6.021 1.00 0.00 O ATOM 0 H SER A 59 30.970 7.209 6.020 1.00 0.00 H new ATOM 0 HA SER A 59 32.878 5.279 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.933 5.635 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.614 4.480 4.032 1.00 0.00 H new ATOM 0 HG SER A 59 30.587 4.424 6.867 1.00 0.00 H new ATOM 792 N ALA A 60 32.075 7.190 2.905 1.00 0.00 N ATOM 793 CA ALA A 60 32.381 7.525 1.519 1.00 0.00 C ATOM 794 C ALA A 60 33.866 7.342 1.226 1.00 0.00 C ATOM 795 O ALA A 60 34.251 7.036 0.098 1.00 0.00 O ATOM 796 CB ALA A 60 31.953 8.952 1.214 1.00 0.00 C ATOM 0 H ALA A 60 31.557 7.910 3.409 1.00 0.00 H new ATOM 0 HA ALA A 60 31.823 6.845 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 60 32.188 9.188 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 60 30.880 9.052 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 60 32.485 9.640 1.872 1.00 0.00 H new ATOM 802 N GLU A 61 34.694 7.532 2.248 1.00 0.00 N ATOM 803 CA GLU A 61 36.138 7.388 2.097 1.00 0.00 C ATOM 804 C GLU A 61 36.701 6.427 3.142 1.00 0.00 C ATOM 805 O GLU A 61 37.456 5.512 2.815 1.00 0.00 O ATOM 806 CB GLU A 61 36.824 8.750 2.220 1.00 0.00 C ATOM 807 CG GLU A 61 36.358 9.562 3.416 1.00 0.00 C ATOM 808 CD GLU A 61 36.906 10.975 3.413 1.00 0.00 C ATOM 809 OE1 GLU A 61 37.942 11.208 2.756 1.00 0.00 O ATOM 810 OE2 GLU A 61 36.298 11.849 4.066 1.00 0.00 O ATOM 0 H GLU A 61 34.391 7.786 3.188 1.00 0.00 H new ATOM 0 HA GLU A 61 36.335 6.978 1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 61 37.901 8.599 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 61 36.642 9.322 1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 61 35.269 9.599 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 61 36.665 9.059 4.333 1.00 0.00 H new ATOM 1021 N ARG A 79 20.741 7.651 19.528 1.00 0.00 N ATOM 1022 CA ARG A 79 20.000 6.985 18.465 1.00 0.00 C ATOM 1023 C ARG A 79 19.027 5.958 19.041 1.00 0.00 C ATOM 1024 O ARG A 79 17.857 5.915 18.660 1.00 0.00 O ATOM 1025 CB ARG A 79 20.963 6.300 17.493 1.00 0.00 C ATOM 1026 CG ARG A 79 20.275 5.370 16.507 1.00 0.00 C ATOM 1027 CD ARG A 79 20.690 5.669 15.076 1.00 0.00 C ATOM 1028 NE ARG A 79 20.865 4.451 14.289 1.00 0.00 N ATOM 1029 CZ ARG A 79 19.856 3.709 13.849 1.00 0.00 C ATOM 1030 NH1 ARG A 79 18.605 4.059 14.116 1.00 0.00 N ATOM 1031 NH2 ARG A 79 20.095 2.614 13.141 1.00 0.00 N ATOM 0 HA ARG A 79 19.428 7.741 17.927 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.510 7.063 16.939 1.00 0.00 H new ATOM 0 HB3 ARG A 79 21.698 5.732 18.063 1.00 0.00 H new ATOM 0 HG2 ARG A 79 20.520 4.336 16.749 1.00 0.00 H new ATOM 0 HG3 ARG A 79 19.194 5.472 16.602 1.00 0.00 H new ATOM 0 HD2 ARG A 79 19.936 6.300 14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 79 21.622 6.235 15.080 1.00 0.00 H new ATOM 0 HE ARG A 79 21.815 4.154 14.065 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.416 4.900 14.661 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.832 3.487 13.777 1.00 0.00 H new ATOM 0 HH21 ARG A 79 21.055 2.340 12.934 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.318 2.045 12.804 1.00 0.00 H new ATOM 1042 N ASP A 80 19.519 5.135 19.960 1.00 0.00 N ATOM 1043 CA ASP A 80 18.695 4.111 20.589 1.00 0.00 C ATOM 1044 C ASP A 80 17.498 4.737 21.299 1.00 0.00 C ATOM 1045 O ASP A 80 16.378 4.234 21.211 1.00 0.00 O ATOM 1046 CB ASP A 80 19.525 3.297 21.584 1.00 0.00 C ATOM 1047 CG ASP A 80 19.037 1.867 21.711 1.00 0.00 C ATOM 1048 OD1 ASP A 80 17.994 1.652 22.364 1.00 0.00 O ATOM 1049 OD2 ASP A 80 19.697 0.964 21.157 1.00 0.00 O ATOM 0 H ASP A 80 20.485 5.157 20.286 1.00 0.00 H new ATOM 0 HA ASP A 80 18.325 3.447 19.808 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.568 3.295 21.267 1.00 0.00 H new ATOM 0 HB3 ASP A 80 19.490 3.778 22.561 1.00 0.00 H new ATOM 1053 N TYR A 81 17.744 5.836 22.004 1.00 0.00 N ATOM 1054 CA TYR A 81 16.687 6.528 22.734 1.00 0.00 C ATOM 1055 C TYR A 81 15.708 7.193 21.771 1.00 0.00 C ATOM 1056 O TYR A 81 14.494 7.114 21.950 1.00 0.00 O ATOM 1057 CB TYR A 81 17.289 7.575 23.672 1.00 0.00 C ATOM 1058 CG TYR A 81 16.318 8.084 24.713 1.00 0.00 C ATOM 1059 CD1 TYR A 81 15.491 7.210 25.408 1.00 0.00 C ATOM 1060 CD2 TYR A 81 16.228 9.441 25.002 1.00 0.00 C ATOM 1061 CE1 TYR A 81 14.601 7.671 26.358 1.00 0.00 C ATOM 1062 CE2 TYR A 81 15.342 9.911 25.954 1.00 0.00 C ATOM 1063 CZ TYR A 81 14.531 9.022 26.628 1.00 0.00 C ATOM 1064 OH TYR A 81 13.647 9.486 27.576 1.00 0.00 O ATOM 0 H TYR A 81 18.665 6.267 22.086 1.00 0.00 H new ATOM 0 HA TYR A 81 16.144 5.791 23.325 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.155 7.145 24.175 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.649 8.417 23.080 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.545 6.151 25.202 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.860 10.140 24.474 1.00 0.00 H new ATOM 0 HE1 TYR A 81 13.963 6.978 26.887 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.285 10.968 26.168 1.00 0.00 H new ATOM 0 HH TYR A 81 13.724 10.460 27.646 1.00 0.00 H new ATOM 1073 N MET A 82 16.248 7.849 20.748 1.00 0.00 N ATOM 1074 CA MET A 82 15.423 8.529 19.756 1.00 0.00 C ATOM 1075 C MET A 82 14.543 7.534 19.007 1.00 0.00 C ATOM 1076 O MET A 82 13.322 7.676 18.967 1.00 0.00 O ATOM 1077 CB MET A 82 16.304 9.295 18.767 1.00 0.00 C ATOM 1078 CG MET A 82 16.576 10.731 19.182 1.00 0.00 C ATOM 1079 SD MET A 82 15.390 11.894 18.480 1.00 0.00 S ATOM 1080 CE MET A 82 14.380 12.255 19.914 1.00 0.00 C ATOM 0 H MET A 82 17.252 7.924 20.585 1.00 0.00 H new ATOM 0 HA MET A 82 14.778 9.235 20.279 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.253 8.771 18.657 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.824 9.293 17.788 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.549 10.802 20.269 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.582 11.011 18.869 1.00 0.00 H new ATOM 0 HE1 MET A 82 13.678 13.054 19.673 1.00 0.00 H new ATOM 0 HE2 MET A 82 13.827 11.361 20.204 1.00 0.00 H new ATOM 0 HE3 MET A 82 15.019 12.570 20.739 1.00 0.00 H new ATOM 1088 N GLY A 83 15.174 6.522 18.415 1.00 0.00 N ATOM 1089 CA GLY A 83 14.432 5.519 17.676 1.00 0.00 C ATOM 1090 C GLY A 83 13.358 4.855 18.514 1.00 0.00 C ATOM 1091 O GLY A 83 12.301 4.488 18.003 1.00 0.00 O ATOM 0 H GLY A 83 16.184 6.381 18.435 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.972 5.982 16.803 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.122 4.760 17.308 1.00 0.00 H new ATOM 1095 N ALA A 84 13.630 4.700 19.806 1.00 0.00 N ATOM 1096 CA ALA A 84 12.679 4.076 20.717 1.00 0.00 C ATOM 1097 C ALA A 84 11.338 4.805 20.695 1.00 0.00 C ATOM 1098 O ALA A 84 10.285 4.181 20.577 1.00 0.00 O ATOM 1099 CB ALA A 84 13.242 4.047 22.130 1.00 0.00 C ATOM 0 H ALA A 84 14.501 4.998 20.245 1.00 0.00 H new ATOM 0 HA ALA A 84 12.512 3.052 20.383 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.521 3.578 22.799 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.171 3.476 22.140 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.438 5.066 22.464 1.00 0.00 H new ATOM 1105 N ALA A 85 11.389 6.128 20.809 1.00 0.00 N ATOM 1106 CA ALA A 85 10.179 6.941 20.802 1.00 0.00 C ATOM 1107 C ALA A 85 9.378 6.721 19.522 1.00 0.00 C ATOM 1108 O ALA A 85 8.150 6.634 19.552 1.00 0.00 O ATOM 1109 CB ALA A 85 10.531 8.413 20.959 1.00 0.00 C ATOM 0 H ALA A 85 12.254 6.659 20.907 1.00 0.00 H new ATOM 0 HA ALA A 85 9.560 6.635 21.645 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.618 9.008 20.952 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.055 8.563 21.903 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.173 8.724 20.135 1.00 0.00 H new ATOM 1115 N LYS A 86 10.081 6.633 18.397 1.00 0.00 N ATOM 1116 CA LYS A 86 9.437 6.423 17.107 1.00 0.00 C ATOM 1117 C LYS A 86 8.494 5.225 17.158 1.00 0.00 C ATOM 1118 O LYS A 86 7.307 5.344 16.854 1.00 0.00 O ATOM 1119 CB LYS A 86 10.489 6.211 16.016 1.00 0.00 C ATOM 1120 CG LYS A 86 11.519 7.325 15.939 1.00 0.00 C ATOM 1121 CD LYS A 86 10.860 8.678 15.724 1.00 0.00 C ATOM 1122 CE LYS A 86 11.452 9.401 14.523 1.00 0.00 C ATOM 1123 NZ LYS A 86 10.515 10.419 13.974 1.00 0.00 N ATOM 0 H LYS A 86 11.098 6.704 18.354 1.00 0.00 H new ATOM 0 HA LYS A 86 8.853 7.313 16.872 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.001 5.266 16.196 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.988 6.124 15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.104 7.346 16.859 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.214 7.124 15.124 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.788 8.543 15.577 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.985 9.291 16.617 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.385 9.885 14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.697 8.676 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.954 10.890 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.634 9.954 13.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.301 11.125 14.707 1.00 0.00 H new ATOM 1133 N SER A 87 9.029 4.071 17.544 1.00 0.00 N ATOM 1134 CA SER A 87 8.235 2.852 17.633 1.00 0.00 C ATOM 1135 C SER A 87 7.035 3.051 18.552 1.00 0.00 C ATOM 1136 O SER A 87 5.910 2.680 18.214 1.00 0.00 O ATOM 1137 CB SER A 87 9.096 1.695 18.143 1.00 0.00 C ATOM 1138 OG SER A 87 8.555 0.445 17.749 1.00 0.00 O ATOM 0 H SER A 87 10.009 3.955 17.800 1.00 0.00 H new ATOM 0 HA SER A 87 7.869 2.612 16.635 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.110 1.794 17.756 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.164 1.739 19.230 1.00 0.00 H new ATOM 0 HG SER A 87 9.124 -0.278 18.086 1.00 0.00 H new ATOM 1143 N LYS A 88 7.281 3.640 19.717 1.00 0.00 N ATOM 1144 CA LYS A 88 6.221 3.891 20.688 1.00 0.00 C ATOM 1145 C LYS A 88 5.160 4.820 20.106 1.00 0.00 C ATOM 1146 O LYS A 88 3.971 4.675 20.390 1.00 0.00 O ATOM 1147 CB LYS A 88 6.804 4.500 21.964 1.00 0.00 C ATOM 1148 CG LYS A 88 7.624 3.520 22.785 1.00 0.00 C ATOM 1149 CD LYS A 88 6.745 2.472 23.446 1.00 0.00 C ATOM 1150 CE LYS A 88 6.498 2.795 24.912 1.00 0.00 C ATOM 1151 NZ LYS A 88 6.528 1.573 25.762 1.00 0.00 N ATOM 0 H LYS A 88 8.206 3.953 20.013 1.00 0.00 H new ATOM 0 HA LYS A 88 5.751 2.938 20.931 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.431 5.351 21.697 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.990 4.884 22.579 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.356 3.030 22.143 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.182 4.062 23.549 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.792 2.411 22.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.218 1.494 23.363 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.254 3.499 25.261 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.531 3.287 25.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.356 1.835 26.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.790 0.912 25.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.459 1.117 25.682 1.00 0.00 H new ATOM 1161 N LEU A 89 5.599 5.774 19.292 1.00 0.00 N ATOM 1162 CA LEU A 89 4.686 6.726 18.669 1.00 0.00 C ATOM 1163 C LEU A 89 3.669 6.009 17.787 1.00 0.00 C ATOM 1164 O LEU A 89 2.462 6.166 17.964 1.00 0.00 O ATOM 1165 CB LEU A 89 5.469 7.745 17.840 1.00 0.00 C ATOM 1166 CG LEU A 89 5.122 9.215 18.078 1.00 0.00 C ATOM 1167 CD1 LEU A 89 6.360 10.087 17.931 1.00 0.00 C ATOM 1168 CD2 LEU A 89 4.032 9.668 17.120 1.00 0.00 C ATOM 0 H LEU A 89 6.580 5.909 19.048 1.00 0.00 H new ATOM 0 HA LEU A 89 4.148 7.247 19.461 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.531 7.607 18.040 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.312 7.522 16.785 1.00 0.00 H new ATOM 0 HG LEU A 89 4.748 9.319 19.097 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.093 11.130 18.104 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.111 9.779 18.659 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.764 9.978 16.925 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.798 10.717 17.304 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.377 9.548 16.093 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.138 9.064 17.275 1.00 0.00 H new ATOM 1179 N ASN A 90 4.167 5.223 16.838 1.00 0.00 N ATOM 1180 CA ASN A 90 3.301 4.480 15.930 1.00 0.00 C ATOM 1181 C ASN A 90 2.368 3.553 16.702 1.00 0.00 C ATOM 1182 O ASN A 90 1.272 3.232 16.243 1.00 0.00 O ATOM 1183 CB ASN A 90 4.140 3.670 14.941 1.00 0.00 C ATOM 1184 CG ASN A 90 3.610 3.760 13.523 1.00 0.00 C ATOM 1185 OD1 ASN A 90 3.226 4.834 13.058 1.00 0.00 O ATOM 1186 ND2 ASN A 90 3.584 2.628 12.827 1.00 0.00 N ATOM 0 H ASN A 90 5.165 5.084 16.678 1.00 0.00 H new ATOM 0 HA ASN A 90 2.694 5.198 15.379 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.170 4.027 14.964 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.158 2.626 15.254 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.236 2.627 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.912 1.761 13.252 1.00 0.00 H new ATOM 1192 N ASP A 91 2.812 3.125 17.880 1.00 0.00 N ATOM 1193 CA ASP A 91 2.017 2.235 18.719 1.00 0.00 C ATOM 1194 C ASP A 91 0.888 2.999 19.405 1.00 0.00 C ATOM 1195 O ASP A 91 -0.219 2.484 19.557 1.00 0.00 O ATOM 1196 CB ASP A 91 2.904 1.561 19.767 1.00 0.00 C ATOM 1197 CG ASP A 91 2.871 0.048 19.666 1.00 0.00 C ATOM 1198 OD1 ASP A 91 1.760 -0.518 19.605 1.00 0.00 O ATOM 1199 OD2 ASP A 91 3.956 -0.569 19.651 1.00 0.00 O ATOM 0 H ASP A 91 3.717 3.380 18.275 1.00 0.00 H new ATOM 0 HA ASP A 91 1.577 1.470 18.080 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.930 1.908 19.648 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.579 1.863 20.763 1.00 0.00 H new ATOM 1203 N ALA A 92 1.178 4.229 19.817 1.00 0.00 N ATOM 1204 CA ALA A 92 0.187 5.064 20.485 1.00 0.00 C ATOM 1205 C ALA A 92 -0.767 5.697 19.478 1.00 0.00 C ATOM 1206 O ALA A 92 -1.985 5.652 19.649 1.00 0.00 O ATOM 1207 CB ALA A 92 0.875 6.138 21.312 1.00 0.00 C ATOM 0 H ALA A 92 2.091 4.669 19.700 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.399 4.429 21.150 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.124 6.754 21.805 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.509 5.668 22.064 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.486 6.763 20.661 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.205 6.287 18.427 1.00 0.00 N ATOM 1214 CA VAL A 93 -1.006 6.929 17.393 1.00 0.00 C ATOM 1215 C VAL A 93 -2.092 5.991 16.877 1.00 0.00 C ATOM 1216 O VAL A 93 -3.274 6.331 16.891 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.132 7.385 16.209 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.973 8.119 15.175 1.00 0.00 C ATOM 1219 CG2 VAL A 93 1.011 8.262 16.698 1.00 0.00 C ATOM 0 H VAL A 93 0.802 6.333 18.270 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.471 7.802 17.850 1.00 0.00 H new ATOM 0 HB VAL A 93 0.295 6.502 15.734 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.338 8.433 14.346 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.753 7.455 14.803 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.431 8.995 15.634 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.618 8.575 15.849 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.606 9.142 17.199 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.628 7.698 17.397 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.681 4.811 16.423 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.620 3.824 15.903 1.00 0.00 C ATOM 1231 C GLU A 94 -3.777 3.610 16.873 1.00 0.00 C ATOM 1232 O GLU A 94 -4.920 3.417 16.460 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.906 2.498 15.642 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.943 2.063 14.186 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.809 0.839 13.963 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -4.049 0.967 14.048 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -2.250 -0.246 13.706 1.00 0.00 O ATOM 0 H GLU A 94 -0.705 4.516 16.405 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.023 4.202 14.963 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.867 2.586 15.960 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.363 1.722 16.256 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.318 2.884 13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.928 1.852 13.848 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.472 3.645 18.166 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.484 3.452 19.196 1.00 0.00 C ATOM 1244 C TYR A 95 -5.342 4.705 19.361 1.00 0.00 C ATOM 1245 O TYR A 95 -6.558 4.621 19.532 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.826 3.093 20.529 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.811 2.691 21.603 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.542 3.647 22.297 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -5.008 1.354 21.926 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.443 3.283 23.279 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -5.908 0.980 22.905 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.622 1.950 23.580 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.518 1.581 24.558 1.00 0.00 O ATOM 0 H TYR A 95 -2.531 3.805 18.525 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.129 2.630 18.884 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.123 2.276 20.369 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.247 3.947 20.880 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.404 4.693 22.065 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.448 0.594 21.402 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.004 4.039 23.808 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.052 -0.064 23.141 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.524 0.605 24.645 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.696 5.865 19.306 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.397 7.136 19.448 1.00 0.00 C ATOM 1264 C VAL A 96 -6.363 7.362 18.291 1.00 0.00 C ATOM 1265 O VAL A 96 -7.539 7.659 18.500 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.410 8.316 19.517 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.150 9.616 19.793 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.347 8.061 20.575 1.00 0.00 C ATOM 0 H VAL A 96 -3.690 5.951 19.164 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.958 7.086 20.381 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.913 8.408 18.551 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.436 10.438 19.838 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.868 9.802 18.995 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.677 9.540 20.744 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.658 8.905 20.610 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.823 7.941 21.548 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.797 7.154 20.326 1.00 0.00 H new ATOM 1278 N SER A 97 -5.859 7.221 17.069 1.00 0.00 N ATOM 1279 CA SER A 97 -6.676 7.412 15.876 1.00 0.00 C ATOM 1280 C SER A 97 -7.855 6.443 15.864 1.00 0.00 C ATOM 1281 O SER A 97 -8.923 6.754 15.338 1.00 0.00 O ATOM 1282 CB SER A 97 -5.830 7.219 14.616 1.00 0.00 C ATOM 1283 OG SER A 97 -5.919 8.349 13.765 1.00 0.00 O ATOM 0 H SER A 97 -4.888 6.975 16.879 1.00 0.00 H new ATOM 0 HA SER A 97 -7.065 8.430 15.891 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.790 7.050 14.895 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.165 6.330 14.082 1.00 0.00 H new ATOM 0 HG SER A 97 -5.368 8.202 12.968 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.653 5.266 16.451 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.706 4.271 16.497 1.00 0.00 C ATOM 1290 C GLY A 98 -9.732 4.560 17.575 1.00 0.00 C ATOM 1291 O GLY A 98 -10.868 4.092 17.503 1.00 0.00 O ATOM 0 H GLY A 98 -6.779 4.986 16.895 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.204 4.229 15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.266 3.289 16.673 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.330 5.333 18.579 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.221 5.683 19.679 1.00 0.00 C ATOM 1297 C ARG A 99 -11.011 6.949 19.358 1.00 0.00 C ATOM 1298 O ARG A 99 -12.229 6.994 19.527 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.423 5.878 20.968 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.481 4.685 21.907 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.523 4.883 22.997 1.00 0.00 C ATOM 1302 NE ARG A 99 -10.189 4.151 24.215 1.00 0.00 N ATOM 1303 CZ ARG A 99 -10.973 4.106 25.285 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -12.133 4.749 25.287 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -10.600 3.418 26.355 1.00 0.00 N ATOM 0 H ARG A 99 -8.393 5.729 18.653 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.925 4.863 19.818 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.382 6.079 20.714 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.800 6.758 21.489 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.714 3.785 21.339 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.502 4.531 22.362 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.611 5.945 23.225 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.496 4.554 22.632 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.303 3.646 24.245 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.424 5.279 24.465 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.734 4.713 26.110 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.709 2.922 26.357 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.204 3.385 27.176 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.305 7.978 18.895 1.00 0.00 N ATOM 1317 CA VAL A 100 -10.938 9.245 18.552 1.00 0.00 C ATOM 1318 C VAL A 100 -12.122 9.031 17.614 1.00 0.00 C ATOM 1319 O VAL A 100 -13.140 9.716 17.716 1.00 0.00 O ATOM 1320 CB VAL A 100 -9.939 10.210 17.886 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.635 11.493 17.463 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -8.780 10.507 18.826 1.00 0.00 C ATOM 0 H VAL A 100 -9.296 7.957 18.750 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.291 9.685 19.485 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.540 9.732 16.992 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.913 12.161 16.995 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.427 11.260 16.752 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.065 11.979 18.339 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.083 11.190 18.340 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.160 10.965 19.739 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.265 9.579 19.073 1.00 0.00 H new