USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 HIS : no HD1:sc= -0.0762 K(o=-0.094,f=-3.1!) USER MOD Set 1.2: A 30 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= -0.0154 (180deg=-0.332) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 110:sc= -2.04 USER MOD Single : A 8 TYR OH : rot 128:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0482 (180deg=-0.486) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 25 TYR OH : rot 80:sc= 0.528 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0667) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0168 (180deg=-0.358) USER MOD Single : A 40 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 45 SER OG : rot 180:sc= 0.354 USER MOD Single : A 46 MET CE :methyl -157:sc= -0.0878 (180deg=-0.709) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 52 THR OG1 : rot -83:sc= -0.336 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.306 0.475 -1.527 1.00 0.00 N ATOM 21 CA LYS A 2 10.708 1.845 -1.503 1.00 0.00 C ATOM 22 C LYS A 2 10.100 2.174 -2.867 1.00 0.00 C ATOM 23 O LYS A 2 10.559 1.712 -3.895 1.00 0.00 O ATOM 24 CB LYS A 2 11.799 2.863 -1.161 1.00 0.00 C ATOM 25 CG LYS A 2 12.236 2.666 0.294 1.00 0.00 C ATOM 26 CD LYS A 2 13.328 3.678 0.656 1.00 0.00 C ATOM 27 CE LYS A 2 13.697 3.528 2.136 1.00 0.00 C ATOM 28 NZ LYS A 2 14.283 2.179 2.373 1.00 0.00 N ATOM 0 HA LYS A 2 9.921 1.885 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.651 2.738 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.425 3.877 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.381 2.788 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.608 1.651 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.208 3.517 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.979 4.691 0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.410 4.301 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.812 3.665 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.789 2.175 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.523 1.470 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.947 1.949 1.606 1.00 0.00 H new ATOM 42 N GLY A 3 9.064 2.964 -2.877 1.00 0.00 N ATOM 43 CA GLY A 3 8.413 3.322 -4.166 1.00 0.00 C ATOM 44 C GLY A 3 7.262 4.298 -3.917 1.00 0.00 C ATOM 45 O GLY A 3 7.217 4.982 -2.908 1.00 0.00 O ATOM 0 H GLY A 3 8.640 3.378 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.143 3.772 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.039 2.423 -4.656 1.00 0.00 H new ATOM 49 N LYS A 4 6.337 4.370 -4.839 1.00 0.00 N ATOM 50 CA LYS A 4 5.176 5.303 -4.694 1.00 0.00 C ATOM 51 C LYS A 4 3.871 4.560 -4.979 1.00 0.00 C ATOM 52 O LYS A 4 3.803 3.695 -5.836 1.00 0.00 O ATOM 53 CB LYS A 4 5.335 6.454 -5.682 1.00 0.00 C ATOM 54 CG LYS A 4 6.527 7.318 -5.267 1.00 0.00 C ATOM 55 CD LYS A 4 6.747 8.434 -6.297 1.00 0.00 C ATOM 56 CE LYS A 4 5.710 9.547 -6.100 1.00 0.00 C ATOM 57 NZ LYS A 4 6.128 10.756 -6.862 1.00 0.00 N ATOM 0 H LYS A 4 6.335 3.817 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 4 5.147 5.691 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.487 6.065 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.426 7.056 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.349 7.750 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.423 6.703 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.753 8.841 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.669 8.029 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.731 9.210 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.615 9.787 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.425 11.511 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.054 11.081 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.197 10.522 -7.873 1.00 0.00 H new ATOM 71 N VAL A 5 2.834 4.898 -4.260 1.00 0.00 N ATOM 72 CA VAL A 5 1.522 4.225 -4.465 1.00 0.00 C ATOM 73 C VAL A 5 0.801 4.823 -5.674 1.00 0.00 C ATOM 74 O VAL A 5 0.391 5.969 -5.671 1.00 0.00 O ATOM 75 CB VAL A 5 0.661 4.378 -3.206 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.511 5.861 -2.836 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.724 3.769 -3.458 1.00 0.00 C ATOM 0 H VAL A 5 2.841 5.616 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 5 1.693 3.165 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 5 1.148 3.858 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.103 5.952 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.495 6.290 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.034 6.395 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.337 3.877 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.202 4.285 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.618 2.711 -3.699 1.00 0.00 H new ATOM 87 N VAL A 6 0.640 4.035 -6.703 1.00 0.00 N ATOM 88 CA VAL A 6 -0.062 4.517 -7.922 1.00 0.00 C ATOM 89 C VAL A 6 -1.568 4.528 -7.671 1.00 0.00 C ATOM 90 O VAL A 6 -2.284 5.385 -8.153 1.00 0.00 O ATOM 91 CB VAL A 6 0.263 3.587 -9.099 1.00 0.00 C ATOM 92 CG1 VAL A 6 -0.127 2.146 -8.753 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.518 4.036 -10.334 1.00 0.00 C ATOM 0 H VAL A 6 0.968 3.070 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 6 0.269 5.528 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 6 1.333 3.632 -9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.107 1.494 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.429 1.819 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.196 2.099 -8.544 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.287 3.376 -11.170 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.587 3.995 -10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.237 5.058 -10.590 1.00 0.00 H new ATOM 103 N SER A 7 -2.057 3.576 -6.924 1.00 0.00 N ATOM 104 CA SER A 7 -3.521 3.537 -6.652 1.00 0.00 C ATOM 105 C SER A 7 -3.835 2.473 -5.604 1.00 0.00 C ATOM 106 O SER A 7 -3.146 1.476 -5.486 1.00 0.00 O ATOM 107 CB SER A 7 -4.279 3.214 -7.941 1.00 0.00 C ATOM 108 OG SER A 7 -5.674 3.195 -7.666 1.00 0.00 O ATOM 0 H SER A 7 -1.511 2.830 -6.494 1.00 0.00 H new ATOM 0 HA SER A 7 -3.832 4.512 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.056 3.959 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.960 2.249 -8.334 1.00 0.00 H new ATOM 0 HG SER A 7 -6.101 3.969 -8.088 1.00 0.00 H new ATOM 114 N TYR A 8 -4.883 2.683 -4.855 1.00 0.00 N ATOM 115 CA TYR A 8 -5.291 1.698 -3.810 1.00 0.00 C ATOM 116 C TYR A 8 -6.533 0.935 -4.298 1.00 0.00 C ATOM 117 O TYR A 8 -6.726 -0.232 -4.009 1.00 0.00 O ATOM 118 CB TYR A 8 -5.612 2.457 -2.513 1.00 0.00 C ATOM 119 CG TYR A 8 -6.307 1.532 -1.536 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.692 0.337 -1.148 1.00 0.00 C ATOM 121 CD2 TYR A 8 -7.572 1.863 -1.030 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.337 -0.525 -0.259 1.00 0.00 C ATOM 123 CE2 TYR A 8 -8.214 0.998 -0.135 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.596 -0.196 0.248 1.00 0.00 C ATOM 125 OH TYR A 8 -8.229 -1.050 1.126 1.00 0.00 O ATOM 0 H TYR A 8 -5.482 3.506 -4.923 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.487 0.987 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.694 2.845 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.248 3.315 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.717 0.081 -1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.051 2.784 -1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.861 -1.448 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.186 1.253 0.259 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.505 -0.553 1.924 1.00 0.00 H new ATOM 135 N LEU A 9 -7.373 1.610 -5.036 1.00 0.00 N ATOM 136 CA LEU A 9 -8.621 0.976 -5.562 1.00 0.00 C ATOM 137 C LEU A 9 -9.311 0.191 -4.434 1.00 0.00 C ATOM 138 O LEU A 9 -9.281 -1.025 -4.392 1.00 0.00 O ATOM 139 CB LEU A 9 -8.284 0.021 -6.717 1.00 0.00 C ATOM 140 CG LEU A 9 -7.376 0.729 -7.730 1.00 0.00 C ATOM 141 CD1 LEU A 9 -7.051 -0.229 -8.877 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.073 1.977 -8.285 1.00 0.00 C ATOM 0 H LEU A 9 -7.247 2.587 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.288 1.756 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.788 -0.870 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.200 -0.310 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.455 1.032 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.406 0.273 -9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.541 -1.108 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.975 -0.535 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.418 2.471 -9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.000 1.686 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.297 2.662 -7.468 1.00 0.00 H new ATOM 154 N ALA A 10 -9.947 0.890 -3.530 1.00 0.00 N ATOM 155 CA ALA A 10 -10.661 0.207 -2.408 1.00 0.00 C ATOM 156 C ALA A 10 -11.786 -0.663 -2.986 1.00 0.00 C ATOM 157 O ALA A 10 -12.206 -1.642 -2.399 1.00 0.00 O ATOM 158 CB ALA A 10 -11.256 1.261 -1.467 1.00 0.00 C ATOM 0 H ALA A 10 -10.003 1.908 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.964 -0.419 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.777 0.765 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.456 1.882 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.958 1.886 -2.018 1.00 0.00 H new ATOM 164 N ALA A 11 -12.268 -0.298 -4.143 1.00 0.00 N ATOM 165 CA ALA A 11 -13.364 -1.077 -4.790 1.00 0.00 C ATOM 166 C ALA A 11 -12.874 -2.495 -5.098 1.00 0.00 C ATOM 167 O ALA A 11 -13.611 -3.460 -5.004 1.00 0.00 O ATOM 168 CB ALA A 11 -13.759 -0.388 -6.094 1.00 0.00 C ATOM 0 H ALA A 11 -11.947 0.513 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.222 -1.128 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.560 -0.950 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.103 0.624 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.896 -0.345 -6.759 1.00 0.00 H new ATOM 174 N LYS A 12 -11.628 -2.626 -5.461 1.00 0.00 N ATOM 175 CA LYS A 12 -11.066 -3.975 -5.776 1.00 0.00 C ATOM 176 C LYS A 12 -10.404 -4.537 -4.515 1.00 0.00 C ATOM 177 O LYS A 12 -9.863 -5.628 -4.507 1.00 0.00 O ATOM 178 CB LYS A 12 -10.037 -3.839 -6.902 1.00 0.00 C ATOM 179 CG LYS A 12 -10.755 -3.413 -8.186 1.00 0.00 C ATOM 180 CD LYS A 12 -9.748 -3.290 -9.334 1.00 0.00 C ATOM 181 CE LYS A 12 -10.490 -2.927 -10.624 1.00 0.00 C ATOM 182 NZ LYS A 12 -11.147 -1.598 -10.466 1.00 0.00 N ATOM 0 H LYS A 12 -10.969 -1.853 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.856 -4.652 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.279 -3.103 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.520 -4.786 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.523 -4.143 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.260 -2.460 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.006 -2.527 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.210 -4.229 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.793 -2.902 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.236 -3.688 -10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.384 -1.214 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.017 -1.705 -9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.499 -0.946 -9.978 1.00 0.00 H new ATOM 196 N LYS A 13 -10.456 -3.783 -3.449 1.00 0.00 N ATOM 197 CA LYS A 13 -9.848 -4.230 -2.159 1.00 0.00 C ATOM 198 C LYS A 13 -8.377 -4.575 -2.369 1.00 0.00 C ATOM 199 O LYS A 13 -7.707 -5.053 -1.472 1.00 0.00 O ATOM 200 CB LYS A 13 -10.597 -5.455 -1.635 1.00 0.00 C ATOM 201 CG LYS A 13 -12.015 -5.038 -1.243 1.00 0.00 C ATOM 202 CD LYS A 13 -12.839 -6.270 -0.846 1.00 0.00 C ATOM 203 CE LYS A 13 -12.464 -6.717 0.570 1.00 0.00 C ATOM 204 NZ LYS A 13 -13.409 -7.774 1.023 1.00 0.00 N ATOM 0 H LYS A 13 -10.899 -2.865 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.923 -3.423 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.630 -6.232 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.076 -5.876 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.978 -4.333 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.494 -4.524 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.903 -6.037 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.659 -7.081 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.442 -7.097 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.498 -5.867 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.155 -8.078 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.378 -7.396 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.355 -8.587 0.377 1.00 0.00 H new ATOM 218 N TYR A 14 -7.872 -4.328 -3.546 1.00 0.00 N ATOM 219 CA TYR A 14 -6.438 -4.622 -3.842 1.00 0.00 C ATOM 220 C TYR A 14 -5.753 -3.340 -4.314 1.00 0.00 C ATOM 221 O TYR A 14 -6.190 -2.689 -5.245 1.00 0.00 O ATOM 222 CB TYR A 14 -6.348 -5.700 -4.922 1.00 0.00 C ATOM 223 CG TYR A 14 -6.713 -7.046 -4.328 1.00 0.00 C ATOM 224 CD1 TYR A 14 -5.898 -7.621 -3.342 1.00 0.00 C ATOM 225 CD2 TYR A 14 -7.863 -7.723 -4.763 1.00 0.00 C ATOM 226 CE1 TYR A 14 -6.229 -8.868 -2.795 1.00 0.00 C ATOM 227 CE2 TYR A 14 -8.189 -8.973 -4.217 1.00 0.00 C ATOM 228 CZ TYR A 14 -7.373 -9.544 -3.233 1.00 0.00 C ATOM 229 OH TYR A 14 -7.695 -10.776 -2.699 1.00 0.00 O ATOM 0 H TYR A 14 -8.396 -3.930 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.940 -4.985 -2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.020 -5.460 -5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.339 -5.734 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.014 -7.102 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.497 -7.281 -5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.600 -9.308 -2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.071 -9.496 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.520 -11.106 -3.112 1.00 0.00 H new ATOM 239 N GLY A 15 -4.683 -2.974 -3.659 1.00 0.00 N ATOM 240 CA GLY A 15 -3.949 -1.728 -4.028 1.00 0.00 C ATOM 241 C GLY A 15 -2.720 -2.058 -4.871 1.00 0.00 C ATOM 242 O GLY A 15 -2.280 -3.191 -4.934 1.00 0.00 O ATOM 0 H GLY A 15 -4.282 -3.491 -2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.609 -1.062 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.646 -1.197 -3.125 1.00 0.00 H new ATOM 246 N PHE A 16 -2.162 -1.066 -5.516 1.00 0.00 N ATOM 247 CA PHE A 16 -0.955 -1.289 -6.366 1.00 0.00 C ATOM 248 C PHE A 16 0.104 -0.237 -6.050 1.00 0.00 C ATOM 249 O PHE A 16 -0.199 0.925 -5.809 1.00 0.00 O ATOM 250 CB PHE A 16 -1.348 -1.189 -7.838 1.00 0.00 C ATOM 251 CG PHE A 16 -2.237 -2.352 -8.194 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.667 -3.572 -8.572 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.629 -2.213 -8.146 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.487 -4.656 -8.903 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.451 -3.298 -8.477 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.879 -4.520 -8.857 1.00 0.00 C ATOM 0 H PHE A 16 -2.495 -0.102 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.548 -2.279 -6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.867 -0.249 -8.025 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.457 -1.192 -8.466 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.593 -3.677 -8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.069 -1.271 -7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.046 -5.598 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.525 -3.193 -8.439 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.512 -5.356 -9.114 1.00 0.00 H new ATOM 266 N ILE A 17 1.348 -0.649 -6.055 1.00 0.00 N ATOM 267 CA ILE A 17 2.477 0.280 -5.759 1.00 0.00 C ATOM 268 C ILE A 17 3.577 0.094 -6.804 1.00 0.00 C ATOM 269 O ILE A 17 3.923 -1.014 -7.174 1.00 0.00 O ATOM 270 CB ILE A 17 3.028 -0.012 -4.363 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.943 0.269 -3.319 1.00 0.00 C ATOM 272 CG2 ILE A 17 4.241 0.884 -4.090 1.00 0.00 C ATOM 273 CD1 ILE A 17 2.378 -0.271 -1.956 1.00 0.00 C ATOM 0 H ILE A 17 1.631 -1.608 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 17 2.121 1.310 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 17 3.330 -1.058 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.759 1.341 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.005 -0.197 -3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.632 0.674 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.014 0.686 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.941 1.930 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.601 -0.067 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.539 -1.347 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.304 0.216 -1.651 1.00 0.00 H new ATOM 285 N GLN A 18 4.123 1.179 -7.284 1.00 0.00 N ATOM 286 CA GLN A 18 5.197 1.099 -8.317 1.00 0.00 C ATOM 287 C GLN A 18 6.569 1.120 -7.637 1.00 0.00 C ATOM 288 O GLN A 18 7.051 2.150 -7.195 1.00 0.00 O ATOM 289 CB GLN A 18 5.067 2.294 -9.260 1.00 0.00 C ATOM 290 CG GLN A 18 6.114 2.185 -10.371 1.00 0.00 C ATOM 291 CD GLN A 18 5.955 3.355 -11.345 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.927 4.002 -11.378 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.942 3.653 -12.145 1.00 0.00 N ATOM 0 H GLN A 18 3.869 2.126 -7.002 1.00 0.00 H new ATOM 0 HA GLN A 18 5.098 0.173 -8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.066 2.323 -9.691 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.204 3.223 -8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.116 2.190 -9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.999 1.240 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.804 3.109 -12.116 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.851 4.430 -12.799 1.00 0.00 H new ATOM 302 N GLY A 19 7.198 -0.021 -7.562 1.00 0.00 N ATOM 303 CA GLY A 19 8.541 -0.111 -6.926 1.00 0.00 C ATOM 304 C GLY A 19 9.590 0.565 -7.814 1.00 0.00 C ATOM 305 O GLY A 19 9.374 0.795 -8.988 1.00 0.00 O ATOM 0 H GLY A 19 6.833 -0.904 -7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.521 0.366 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.807 -1.156 -6.766 1.00 0.00 H new ATOM 309 N ASP A 20 10.728 0.872 -7.253 1.00 0.00 N ATOM 310 CA ASP A 20 11.808 1.531 -8.049 1.00 0.00 C ATOM 311 C ASP A 20 12.269 0.592 -9.172 1.00 0.00 C ATOM 312 O ASP A 20 12.553 1.016 -10.278 1.00 0.00 O ATOM 313 CB ASP A 20 12.994 1.839 -7.132 1.00 0.00 C ATOM 314 CG ASP A 20 12.650 3.011 -6.210 1.00 0.00 C ATOM 315 OD1 ASP A 20 11.664 3.678 -6.474 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.378 3.220 -5.253 1.00 0.00 O ATOM 0 H ASP A 20 10.959 0.695 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 20 11.425 2.455 -8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.244 0.960 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.873 2.081 -7.729 1.00 0.00 H new ATOM 321 N ASP A 21 12.343 -0.680 -8.894 1.00 0.00 N ATOM 322 CA ASP A 21 12.783 -1.656 -9.937 1.00 0.00 C ATOM 323 C ASP A 21 11.586 -2.008 -10.832 1.00 0.00 C ATOM 324 O ASP A 21 11.673 -2.839 -11.718 1.00 0.00 O ATOM 325 CB ASP A 21 13.323 -2.915 -9.249 1.00 0.00 C ATOM 326 CG ASP A 21 13.888 -3.880 -10.294 1.00 0.00 C ATOM 327 OD1 ASP A 21 14.035 -3.469 -11.431 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.165 -5.012 -9.934 1.00 0.00 O ATOM 0 H ASP A 21 12.118 -1.089 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 21 13.571 -1.222 -10.553 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.100 -2.644 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.527 -3.401 -8.685 1.00 0.00 H new ATOM 333 N GLY A 22 10.472 -1.370 -10.599 1.00 0.00 N ATOM 334 CA GLY A 22 9.251 -1.642 -11.420 1.00 0.00 C ATOM 335 C GLY A 22 8.518 -2.872 -10.876 1.00 0.00 C ATOM 336 O GLY A 22 7.723 -3.490 -11.563 1.00 0.00 O ATOM 0 H GLY A 22 10.351 -0.666 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.589 -0.776 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.531 -1.806 -12.460 1.00 0.00 H new ATOM 340 N GLU A 23 8.776 -3.234 -9.649 1.00 0.00 N ATOM 341 CA GLU A 23 8.095 -4.427 -9.057 1.00 0.00 C ATOM 342 C GLU A 23 6.770 -4.007 -8.417 1.00 0.00 C ATOM 343 O GLU A 23 6.727 -3.214 -7.495 1.00 0.00 O ATOM 344 CB GLU A 23 8.999 -5.065 -8.001 1.00 0.00 C ATOM 345 CG GLU A 23 10.215 -5.689 -8.692 1.00 0.00 C ATOM 346 CD GLU A 23 11.156 -6.288 -7.644 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.825 -6.225 -6.472 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.191 -6.806 -8.034 1.00 0.00 O ATOM 0 H GLU A 23 9.429 -2.756 -9.028 1.00 0.00 H new ATOM 0 HA GLU A 23 7.895 -5.152 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.321 -4.315 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.450 -5.826 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.892 -6.463 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.740 -4.933 -9.276 1.00 0.00 H new ATOM 355 N SER A 24 5.690 -4.541 -8.915 1.00 0.00 N ATOM 356 CA SER A 24 4.350 -4.190 -8.367 1.00 0.00 C ATOM 357 C SER A 24 4.094 -4.955 -7.068 1.00 0.00 C ATOM 358 O SER A 24 4.676 -5.997 -6.816 1.00 0.00 O ATOM 359 CB SER A 24 3.278 -4.564 -9.388 1.00 0.00 C ATOM 360 OG SER A 24 3.225 -5.981 -9.519 1.00 0.00 O ATOM 0 H SER A 24 5.678 -5.211 -9.684 1.00 0.00 H new ATOM 0 HA SER A 24 4.317 -3.120 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.308 -4.180 -9.071 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.502 -4.107 -10.352 1.00 0.00 H new ATOM 0 HG SER A 24 2.536 -6.224 -10.173 1.00 0.00 H new ATOM 366 N TYR A 25 3.219 -4.443 -6.249 1.00 0.00 N ATOM 367 CA TYR A 25 2.893 -5.118 -4.958 1.00 0.00 C ATOM 368 C TYR A 25 1.380 -5.098 -4.742 1.00 0.00 C ATOM 369 O TYR A 25 0.709 -4.122 -5.023 1.00 0.00 O ATOM 370 CB TYR A 25 3.597 -4.392 -3.815 1.00 0.00 C ATOM 371 CG TYR A 25 5.088 -4.510 -4.004 1.00 0.00 C ATOM 372 CD1 TYR A 25 5.755 -5.663 -3.578 1.00 0.00 C ATOM 373 CD2 TYR A 25 5.803 -3.470 -4.611 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.138 -5.780 -3.758 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.188 -3.586 -4.790 1.00 0.00 C ATOM 376 CZ TYR A 25 7.855 -4.742 -4.364 1.00 0.00 C ATOM 377 OH TYR A 25 9.218 -4.856 -4.542 1.00 0.00 O ATOM 0 H TYR A 25 2.709 -3.576 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 25 3.234 -6.153 -4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.302 -3.343 -3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.303 -4.823 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.202 -6.464 -3.110 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.288 -2.580 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.652 -6.671 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.741 -2.784 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 25 9.400 -5.404 -5.334 1.00 0.00 H new ATOM 387 N PHE A 26 0.846 -6.178 -4.248 1.00 0.00 N ATOM 388 CA PHE A 26 -0.624 -6.267 -4.005 1.00 0.00 C ATOM 389 C PHE A 26 -0.918 -5.943 -2.544 1.00 0.00 C ATOM 390 O PHE A 26 -0.375 -6.552 -1.639 1.00 0.00 O ATOM 391 CB PHE A 26 -1.095 -7.689 -4.318 1.00 0.00 C ATOM 392 CG PHE A 26 -1.223 -7.860 -5.812 1.00 0.00 C ATOM 393 CD1 PHE A 26 -0.083 -8.090 -6.593 1.00 0.00 C ATOM 394 CD2 PHE A 26 -2.481 -7.777 -6.417 1.00 0.00 C ATOM 395 CE1 PHE A 26 -0.207 -8.244 -7.980 1.00 0.00 C ATOM 396 CE2 PHE A 26 -2.605 -7.932 -7.802 1.00 0.00 C ATOM 397 CZ PHE A 26 -1.468 -8.164 -8.585 1.00 0.00 C ATOM 0 H PHE A 26 1.371 -7.016 -3.998 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.148 -5.556 -4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.387 -8.414 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.054 -7.880 -3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.889 -8.148 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.358 -7.593 -5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.670 -8.425 -8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.578 -7.873 -8.267 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.563 -8.281 -9.654 1.00 0.00 H new ATOM 407 N LEU A 27 -1.775 -4.988 -2.308 1.00 0.00 N ATOM 408 CA LEU A 27 -2.111 -4.608 -0.907 1.00 0.00 C ATOM 409 C LEU A 27 -3.482 -5.178 -0.547 1.00 0.00 C ATOM 410 O LEU A 27 -4.492 -4.827 -1.131 1.00 0.00 O ATOM 411 CB LEU A 27 -2.139 -3.081 -0.795 1.00 0.00 C ATOM 412 CG LEU A 27 -2.089 -2.668 0.685 1.00 0.00 C ATOM 413 CD1 LEU A 27 -1.860 -1.159 0.787 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.398 -3.055 1.399 1.00 0.00 C ATOM 0 H LEU A 27 -2.259 -4.452 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.363 -5.008 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.292 -2.652 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.043 -2.689 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.266 -3.192 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.825 -0.866 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.916 -0.901 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.676 -0.633 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.344 -2.755 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.237 -2.551 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.541 -4.134 1.338 1.00 0.00 H new ATOM 426 N HIS A 28 -3.515 -6.049 0.425 1.00 0.00 N ATOM 427 CA HIS A 28 -4.800 -6.670 0.864 1.00 0.00 C ATOM 428 C HIS A 28 -5.079 -6.285 2.318 1.00 0.00 C ATOM 429 O HIS A 28 -4.202 -5.854 3.044 1.00 0.00 O ATOM 430 CB HIS A 28 -4.692 -8.193 0.757 1.00 0.00 C ATOM 431 CG HIS A 28 -6.049 -8.803 0.978 1.00 0.00 C ATOM 432 ND1 HIS A 28 -7.217 -8.129 0.661 1.00 0.00 N ATOM 433 CD2 HIS A 28 -6.442 -10.018 1.480 1.00 0.00 C ATOM 434 CE1 HIS A 28 -8.248 -8.935 0.971 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.832 -10.100 1.474 1.00 0.00 N ATOM 0 H HIS A 28 -2.693 -6.362 0.942 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.611 -6.315 0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.309 -8.474 -0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.985 -8.572 1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.775 -10.793 1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.286 -8.672 0.830 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.408 -10.881 1.786 1.00 0.00 H new ATOM 443 N PHE A 29 -6.297 -6.454 2.739 1.00 0.00 N ATOM 444 CA PHE A 29 -6.669 -6.120 4.142 1.00 0.00 C ATOM 445 C PHE A 29 -5.879 -7.022 5.095 1.00 0.00 C ATOM 446 O PHE A 29 -5.456 -6.613 6.161 1.00 0.00 O ATOM 447 CB PHE A 29 -8.169 -6.374 4.324 1.00 0.00 C ATOM 448 CG PHE A 29 -8.964 -5.205 3.784 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.976 -4.940 2.409 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.687 -4.385 4.660 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.709 -3.856 1.914 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.419 -3.302 4.162 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.431 -3.037 2.791 1.00 0.00 C ATOM 0 H PHE A 29 -7.061 -6.813 2.166 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.441 -5.076 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.456 -7.289 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.395 -6.521 5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.420 -5.571 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.679 -4.589 5.721 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.718 -3.650 0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.975 -2.670 4.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.997 -2.201 2.407 1.00 0.00 H new ATOM 463 N SER A 30 -5.681 -8.247 4.703 1.00 0.00 N ATOM 464 CA SER A 30 -4.924 -9.204 5.557 1.00 0.00 C ATOM 465 C SER A 30 -3.485 -8.706 5.733 1.00 0.00 C ATOM 466 O SER A 30 -2.775 -9.121 6.632 1.00 0.00 O ATOM 467 CB SER A 30 -4.908 -10.570 4.876 1.00 0.00 C ATOM 468 OG SER A 30 -4.263 -10.456 3.613 1.00 0.00 O ATOM 0 H SER A 30 -6.014 -8.631 3.819 1.00 0.00 H new ATOM 0 HA SER A 30 -5.400 -9.282 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.386 -11.295 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.926 -10.937 4.746 1.00 0.00 H new ATOM 0 HG SER A 30 -4.249 -11.331 3.173 1.00 0.00 H new ATOM 474 N GLU A 31 -3.047 -7.820 4.881 1.00 0.00 N ATOM 475 CA GLU A 31 -1.655 -7.293 4.994 1.00 0.00 C ATOM 476 C GLU A 31 -1.654 -6.042 5.874 1.00 0.00 C ATOM 477 O GLU A 31 -0.615 -5.513 6.223 1.00 0.00 O ATOM 478 CB GLU A 31 -1.140 -6.940 3.595 1.00 0.00 C ATOM 479 CG GLU A 31 -1.058 -8.211 2.746 1.00 0.00 C ATOM 480 CD GLU A 31 0.045 -9.126 3.284 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.790 -8.685 4.143 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.121 -10.257 2.833 1.00 0.00 O ATOM 0 H GLU A 31 -3.593 -7.437 4.110 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.009 -8.047 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.805 -6.217 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.158 -6.472 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.015 -8.732 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.854 -7.952 1.707 1.00 0.00 H new ATOM 489 N LEU A 32 -2.813 -5.568 6.250 1.00 0.00 N ATOM 490 CA LEU A 32 -2.882 -4.354 7.120 1.00 0.00 C ATOM 491 C LEU A 32 -2.982 -4.779 8.583 1.00 0.00 C ATOM 492 O LEU A 32 -3.931 -5.416 9.001 1.00 0.00 O ATOM 493 CB LEU A 32 -4.101 -3.505 6.738 1.00 0.00 C ATOM 494 CG LEU A 32 -3.983 -3.056 5.275 1.00 0.00 C ATOM 495 CD1 LEU A 32 -5.220 -2.231 4.896 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.712 -2.204 5.085 1.00 0.00 C ATOM 0 H LEU A 32 -3.715 -5.968 5.993 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.980 -3.759 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.016 -4.081 6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.169 -2.635 7.391 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.918 -3.935 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.139 -1.910 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.115 -2.840 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.285 -1.355 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.637 -1.890 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.764 -1.324 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.835 -2.795 5.350 1.00 0.00 H new ATOM 508 N LEU A 33 -2.000 -4.415 9.360 1.00 0.00 N ATOM 509 CA LEU A 33 -2.001 -4.774 10.805 1.00 0.00 C ATOM 510 C LEU A 33 -3.185 -4.095 11.489 1.00 0.00 C ATOM 511 O LEU A 33 -3.851 -4.672 12.326 1.00 0.00 O ATOM 512 CB LEU A 33 -0.697 -4.274 11.441 1.00 0.00 C ATOM 513 CG LEU A 33 0.454 -5.248 11.146 1.00 0.00 C ATOM 514 CD1 LEU A 33 0.292 -6.549 11.956 1.00 0.00 C ATOM 515 CD2 LEU A 33 0.484 -5.572 9.645 1.00 0.00 C ATOM 0 H LEU A 33 -1.189 -3.879 9.052 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.081 -5.855 10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.452 -3.285 11.054 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.827 -4.171 12.518 1.00 0.00 H new ATOM 0 HG LEU A 33 1.392 -4.775 11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.118 -7.223 11.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.293 -6.317 13.021 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.650 -7.028 11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.301 -6.263 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.461 -6.030 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.633 -4.653 9.077 1.00 0.00 H new ATOM 527 N ASP A 34 -3.435 -2.862 11.138 1.00 0.00 N ATOM 528 CA ASP A 34 -4.565 -2.101 11.755 1.00 0.00 C ATOM 529 C ASP A 34 -5.564 -1.704 10.667 1.00 0.00 C ATOM 530 O ASP A 34 -5.266 -0.918 9.790 1.00 0.00 O ATOM 531 CB ASP A 34 -4.015 -0.850 12.438 1.00 0.00 C ATOM 532 CG ASP A 34 -3.235 -1.254 13.695 1.00 0.00 C ATOM 533 OD1 ASP A 34 -3.395 -2.382 14.131 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.493 -0.427 14.200 1.00 0.00 O ATOM 0 H ASP A 34 -2.900 -2.342 10.443 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.070 -2.723 12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.365 -0.305 11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.832 -0.179 12.704 1.00 0.00 H new ATOM 539 N LYS A 35 -6.748 -2.240 10.734 1.00 0.00 N ATOM 540 CA LYS A 35 -7.790 -1.909 9.717 1.00 0.00 C ATOM 541 C LYS A 35 -8.108 -0.413 9.792 1.00 0.00 C ATOM 542 O LYS A 35 -8.361 0.237 8.794 1.00 0.00 O ATOM 543 CB LYS A 35 -9.055 -2.709 10.029 1.00 0.00 C ATOM 544 CG LYS A 35 -8.742 -4.210 10.024 1.00 0.00 C ATOM 545 CD LYS A 35 -8.305 -4.655 8.623 1.00 0.00 C ATOM 546 CE LYS A 35 -8.449 -6.172 8.490 1.00 0.00 C ATOM 547 NZ LYS A 35 -9.878 -6.511 8.247 1.00 0.00 N ATOM 0 H LYS A 35 -7.044 -2.899 11.454 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.430 -2.157 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.450 -2.415 11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.826 -2.488 9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.954 -4.427 10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.622 -4.773 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.912 -4.156 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.270 -4.362 8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.832 -6.537 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.096 -6.663 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.111 -7.402 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.483 -5.749 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.040 -6.619 7.225 1.00 0.00 H new ATOM 561 N LYS A 36 -8.095 0.133 10.974 1.00 0.00 N ATOM 562 CA LYS A 36 -8.392 1.587 11.145 1.00 0.00 C ATOM 563 C LYS A 36 -7.344 2.425 10.398 1.00 0.00 C ATOM 564 O LYS A 36 -7.638 3.484 9.873 1.00 0.00 O ATOM 565 CB LYS A 36 -8.344 1.934 12.630 1.00 0.00 C ATOM 566 CG LYS A 36 -9.504 1.251 13.355 1.00 0.00 C ATOM 567 CD LYS A 36 -9.437 1.571 14.851 1.00 0.00 C ATOM 568 CE LYS A 36 -10.550 0.819 15.584 1.00 0.00 C ATOM 569 NZ LYS A 36 -11.875 1.334 15.135 1.00 0.00 N ATOM 0 H LYS A 36 -7.890 -0.368 11.839 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.381 1.804 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.395 1.612 13.058 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.404 3.014 12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.454 1.591 12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.457 0.173 13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.465 1.284 15.252 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.543 2.644 15.009 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.476 -0.250 15.382 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.443 0.948 16.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.608 1.047 15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.843 2.372 15.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.100 0.943 14.198 1.00 0.00 H new ATOM 583 N ASP A 37 -6.126 1.957 10.350 1.00 0.00 N ATOM 584 CA ASP A 37 -5.053 2.721 9.641 1.00 0.00 C ATOM 585 C ASP A 37 -5.330 2.699 8.129 1.00 0.00 C ATOM 586 O ASP A 37 -4.639 3.326 7.348 1.00 0.00 O ATOM 587 CB ASP A 37 -3.687 2.082 9.924 1.00 0.00 C ATOM 588 CG ASP A 37 -3.241 2.399 11.357 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.841 3.266 11.969 1.00 0.00 O ATOM 590 OD2 ASP A 37 -2.300 1.771 11.816 1.00 0.00 O ATOM 0 H ASP A 37 -5.825 1.078 10.771 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.045 3.751 9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.746 1.003 9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.949 2.455 9.214 1.00 0.00 H new ATOM 595 N GLU A 38 -6.345 1.983 7.718 1.00 0.00 N ATOM 596 CA GLU A 38 -6.688 1.913 6.262 1.00 0.00 C ATOM 597 C GLU A 38 -7.084 3.309 5.763 1.00 0.00 C ATOM 598 O GLU A 38 -6.767 3.705 4.656 1.00 0.00 O ATOM 599 CB GLU A 38 -7.871 0.960 6.068 1.00 0.00 C ATOM 600 CG GLU A 38 -8.177 0.822 4.573 1.00 0.00 C ATOM 601 CD GLU A 38 -9.310 -0.186 4.362 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.968 -0.527 5.331 1.00 0.00 O ATOM 603 OE2 GLU A 38 -9.495 -0.603 3.231 1.00 0.00 O ATOM 0 H GLU A 38 -6.955 1.441 8.330 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.825 1.553 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.639 -0.016 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.747 1.338 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.459 1.791 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.284 0.496 4.039 1.00 0.00 H new ATOM 610 N GLY A 39 -7.772 4.052 6.583 1.00 0.00 N ATOM 611 CA GLY A 39 -8.198 5.426 6.185 1.00 0.00 C ATOM 612 C GLY A 39 -7.047 6.408 6.425 1.00 0.00 C ATOM 613 O GLY A 39 -7.129 7.578 6.095 1.00 0.00 O ATOM 0 H GLY A 39 -8.060 3.766 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.487 5.438 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.073 5.728 6.760 1.00 0.00 H new ATOM 617 N LYS A 40 -5.976 5.940 7.002 1.00 0.00 N ATOM 618 CA LYS A 40 -4.806 6.830 7.279 1.00 0.00 C ATOM 619 C LYS A 40 -3.776 6.677 6.153 1.00 0.00 C ATOM 620 O LYS A 40 -2.704 7.250 6.189 1.00 0.00 O ATOM 621 CB LYS A 40 -4.176 6.414 8.612 1.00 0.00 C ATOM 622 CG LYS A 40 -5.226 6.462 9.731 1.00 0.00 C ATOM 623 CD LYS A 40 -5.650 7.912 9.996 1.00 0.00 C ATOM 624 CE LYS A 40 -6.360 8.005 11.348 1.00 0.00 C ATOM 625 NZ LYS A 40 -6.653 9.436 11.651 1.00 0.00 N ATOM 0 H LYS A 40 -5.857 4.971 7.297 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.129 7.870 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.766 5.407 8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.346 7.078 8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.095 5.867 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.819 6.022 10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.776 8.563 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.312 8.258 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.285 7.429 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.735 7.576 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.136 9.505 12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.763 9.973 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.265 9.830 10.908 1.00 0.00 H new ATOM 639 N LEU A 41 -4.100 5.902 5.153 1.00 0.00 N ATOM 640 CA LEU A 41 -3.151 5.688 4.018 1.00 0.00 C ATOM 641 C LEU A 41 -3.013 6.969 3.198 1.00 0.00 C ATOM 642 O LEU A 41 -3.941 7.747 3.069 1.00 0.00 O ATOM 643 CB LEU A 41 -3.675 4.569 3.118 1.00 0.00 C ATOM 644 CG LEU A 41 -3.773 3.266 3.919 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.398 2.173 3.045 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.375 2.821 4.380 1.00 0.00 C ATOM 0 H LEU A 41 -4.987 5.404 5.072 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.176 5.413 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.654 4.837 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.010 4.434 2.265 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.398 3.434 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.467 1.247 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.395 2.483 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.776 2.011 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.457 1.894 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.740 2.658 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.936 3.595 5.010 1.00 0.00 H new ATOM 658 N VAL A 42 -1.847 7.186 2.639 1.00 0.00 N ATOM 659 CA VAL A 42 -1.607 8.410 1.819 1.00 0.00 C ATOM 660 C VAL A 42 -1.503 8.021 0.344 1.00 0.00 C ATOM 661 O VAL A 42 -0.587 7.338 -0.080 1.00 0.00 O ATOM 662 CB VAL A 42 -0.310 9.079 2.284 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.899 8.161 2.022 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.131 10.401 1.534 1.00 0.00 C ATOM 0 H VAL A 42 -1.045 6.560 2.718 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.434 9.109 1.942 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.371 9.267 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.810 8.655 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.770 7.225 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.973 7.953 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.791 10.883 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.080 10.207 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.977 11.056 1.744 1.00 0.00 H new ATOM 674 N LYS A 43 -2.458 8.456 -0.432 1.00 0.00 N ATOM 675 CA LYS A 43 -2.477 8.133 -1.888 1.00 0.00 C ATOM 676 C LYS A 43 -1.840 9.266 -2.699 1.00 0.00 C ATOM 677 O LYS A 43 -2.024 10.435 -2.412 1.00 0.00 O ATOM 678 CB LYS A 43 -3.924 7.940 -2.341 1.00 0.00 C ATOM 679 CG LYS A 43 -3.940 7.373 -3.763 1.00 0.00 C ATOM 680 CD LYS A 43 -5.377 7.009 -4.160 1.00 0.00 C ATOM 681 CE LYS A 43 -6.195 8.278 -4.414 1.00 0.00 C ATOM 682 NZ LYS A 43 -7.431 7.926 -5.168 1.00 0.00 N ATOM 0 H LYS A 43 -3.238 9.031 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.906 7.219 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.442 7.263 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.456 8.891 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.534 8.105 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.302 6.491 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.368 6.388 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.842 6.420 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.455 8.752 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.604 8.998 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.989 8.787 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.172 7.492 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.997 7.253 -4.612 1.00 0.00 H new ATOM 696 N GLY A 44 -1.103 8.920 -3.719 1.00 0.00 N ATOM 697 CA GLY A 44 -0.456 9.958 -4.574 1.00 0.00 C ATOM 698 C GLY A 44 0.855 10.434 -3.941 1.00 0.00 C ATOM 699 O GLY A 44 1.309 11.538 -4.187 1.00 0.00 O ATOM 0 H GLY A 44 -0.920 7.957 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.261 9.550 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.132 10.803 -4.704 1.00 0.00 H new ATOM 703 N SER A 45 1.471 9.621 -3.126 1.00 0.00 N ATOM 704 CA SER A 45 2.754 10.045 -2.482 1.00 0.00 C ATOM 705 C SER A 45 3.670 8.840 -2.256 1.00 0.00 C ATOM 706 O SER A 45 3.480 7.774 -2.815 1.00 0.00 O ATOM 707 CB SER A 45 2.464 10.709 -1.138 1.00 0.00 C ATOM 708 OG SER A 45 3.678 11.219 -0.599 1.00 0.00 O ATOM 0 H SER A 45 1.146 8.687 -2.877 1.00 0.00 H new ATOM 0 HA SER A 45 3.252 10.751 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.741 11.515 -1.265 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.021 9.989 -0.451 1.00 0.00 H new ATOM 0 HG SER A 45 3.498 11.648 0.263 1.00 0.00 H new ATOM 714 N MET A 46 4.672 9.026 -1.440 1.00 0.00 N ATOM 715 CA MET A 46 5.637 7.929 -1.154 1.00 0.00 C ATOM 716 C MET A 46 5.090 6.999 -0.072 1.00 0.00 C ATOM 717 O MET A 46 4.391 7.418 0.834 1.00 0.00 O ATOM 718 CB MET A 46 6.954 8.539 -0.675 1.00 0.00 C ATOM 719 CG MET A 46 7.613 9.287 -1.834 1.00 0.00 C ATOM 720 SD MET A 46 9.205 9.964 -1.298 1.00 0.00 S ATOM 721 CE MET A 46 8.569 11.272 -0.220 1.00 0.00 C ATOM 0 H MET A 46 4.864 9.902 -0.954 1.00 0.00 H new ATOM 0 HA MET A 46 5.796 7.350 -2.064 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.772 9.220 0.156 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.618 7.757 -0.307 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.759 8.613 -2.678 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.962 10.091 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.323 12.051 -0.110 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.667 11.699 -0.659 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.333 10.854 0.759 1.00 0.00 H new ATOM 731 N VAL A 47 5.411 5.737 -0.163 1.00 0.00 N ATOM 732 CA VAL A 47 4.930 4.753 0.852 1.00 0.00 C ATOM 733 C VAL A 47 6.076 3.828 1.240 1.00 0.00 C ATOM 734 O VAL A 47 7.042 3.683 0.514 1.00 0.00 O ATOM 735 CB VAL A 47 3.783 3.927 0.265 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.599 4.845 -0.045 1.00 0.00 C ATOM 737 CG2 VAL A 47 4.246 3.233 -1.024 1.00 0.00 C ATOM 0 H VAL A 47 5.991 5.341 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 47 4.575 5.286 1.734 1.00 0.00 H new ATOM 0 HB VAL A 47 3.478 3.171 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.782 4.257 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.265 5.330 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.906 5.603 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.425 2.647 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.556 3.984 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.086 2.575 -0.801 1.00 0.00 H new ATOM 747 N HIS A 48 5.973 3.202 2.384 1.00 0.00 N ATOM 748 CA HIS A 48 7.050 2.276 2.852 1.00 0.00 C ATOM 749 C HIS A 48 6.471 0.883 3.077 1.00 0.00 C ATOM 750 O HIS A 48 5.433 0.715 3.694 1.00 0.00 O ATOM 751 CB HIS A 48 7.638 2.808 4.155 1.00 0.00 C ATOM 752 CG HIS A 48 8.455 4.030 3.854 1.00 0.00 C ATOM 753 ND1 HIS A 48 7.893 5.292 3.757 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.794 4.195 3.606 1.00 0.00 C ATOM 755 CE1 HIS A 48 8.882 6.155 3.460 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.063 5.536 3.357 1.00 0.00 N ATOM 0 H HIS A 48 5.181 3.293 3.021 1.00 0.00 H new ATOM 0 HA HIS A 48 7.833 2.216 2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.841 3.051 4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.258 2.046 4.628 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.528 3.403 3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.740 7.217 3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 48 10.967 5.957 3.142 1.00 0.00 H new ATOM 764 N PHE A 49 7.136 -0.118 2.569 1.00 0.00 N ATOM 765 CA PHE A 49 6.641 -1.511 2.735 1.00 0.00 C ATOM 766 C PHE A 49 7.801 -2.497 2.658 1.00 0.00 C ATOM 767 O PHE A 49 8.849 -2.209 2.112 1.00 0.00 O ATOM 768 CB PHE A 49 5.627 -1.836 1.638 1.00 0.00 C ATOM 769 CG PHE A 49 6.297 -1.763 0.284 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.918 -2.897 -0.256 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.288 -0.561 -0.436 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.531 -2.827 -1.513 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.900 -0.493 -1.694 1.00 0.00 C ATOM 774 CZ PHE A 49 7.521 -1.626 -2.232 1.00 0.00 C ATOM 0 H PHE A 49 8.006 -0.029 2.043 1.00 0.00 H new ATOM 0 HA PHE A 49 6.163 -1.596 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.213 -2.832 1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.794 -1.134 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.924 -3.825 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.809 0.313 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.012 -3.700 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.893 0.434 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.993 -1.574 -3.202 1.00 0.00 H new ATOM 784 N ASP A 50 7.607 -3.669 3.208 1.00 0.00 N ATOM 785 CA ASP A 50 8.676 -4.710 3.187 1.00 0.00 C ATOM 786 C ASP A 50 8.353 -5.752 2.105 1.00 0.00 C ATOM 787 O ASP A 50 7.200 -6.005 1.814 1.00 0.00 O ATOM 788 CB ASP A 50 8.716 -5.409 4.547 1.00 0.00 C ATOM 789 CG ASP A 50 9.382 -4.497 5.575 1.00 0.00 C ATOM 790 OD1 ASP A 50 9.072 -3.315 5.573 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.189 -4.990 6.343 1.00 0.00 O ATOM 0 H ASP A 50 6.745 -3.950 3.675 1.00 0.00 H new ATOM 0 HA ASP A 50 9.638 -4.243 2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.705 -5.658 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.266 -6.347 4.469 1.00 0.00 H new ATOM 796 N PRO A 51 9.354 -6.365 1.523 1.00 0.00 N ATOM 797 CA PRO A 51 9.155 -7.400 0.471 1.00 0.00 C ATOM 798 C PRO A 51 8.579 -8.694 1.046 1.00 0.00 C ATOM 799 O PRO A 51 8.707 -8.978 2.222 1.00 0.00 O ATOM 800 CB PRO A 51 10.564 -7.626 -0.100 1.00 0.00 C ATOM 801 CG PRO A 51 11.497 -7.234 1.004 1.00 0.00 C ATOM 802 CD PRO A 51 10.783 -6.138 1.798 1.00 0.00 C ATOM 0 HA PRO A 51 8.438 -7.082 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.710 -8.667 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.731 -7.021 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.727 -8.088 1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.443 -6.871 0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.000 -6.212 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.097 -5.145 1.477 1.00 0.00 H new ATOM 810 N THR A 52 7.942 -9.478 0.217 1.00 0.00 N ATOM 811 CA THR A 52 7.352 -10.761 0.697 1.00 0.00 C ATOM 812 C THR A 52 7.556 -11.847 -0.374 1.00 0.00 C ATOM 813 O THR A 52 7.467 -11.570 -1.554 1.00 0.00 O ATOM 814 CB THR A 52 5.852 -10.571 0.937 1.00 0.00 C ATOM 815 OG1 THR A 52 5.282 -9.877 -0.164 1.00 0.00 O ATOM 816 CG2 THR A 52 5.636 -9.771 2.220 1.00 0.00 C ATOM 0 H THR A 52 7.805 -9.284 -0.775 1.00 0.00 H new ATOM 0 HA THR A 52 7.839 -11.061 1.625 1.00 0.00 H new ATOM 0 HB THR A 52 5.373 -11.545 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.422 -8.914 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.568 -9.637 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.072 -10.309 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.114 -8.796 2.126 1.00 0.00 H new ATOM 895 N LEU A 58 3.393 -11.362 -6.039 1.00 0.00 N ATOM 896 CA LEU A 58 3.967 -10.153 -5.362 1.00 0.00 C ATOM 897 C LEU A 58 3.007 -9.639 -4.290 1.00 0.00 C ATOM 898 O LEU A 58 1.804 -9.589 -4.477 1.00 0.00 O ATOM 899 CB LEU A 58 4.235 -9.044 -6.384 1.00 0.00 C ATOM 900 CG LEU A 58 5.104 -9.592 -7.519 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.344 -8.489 -8.552 1.00 0.00 C ATOM 902 CD2 LEU A 58 6.454 -10.076 -6.962 1.00 0.00 C ATOM 0 HA LEU A 58 4.908 -10.439 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.293 -8.667 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.736 -8.204 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 58 4.592 -10.431 -7.989 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.963 -8.877 -9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.388 -8.153 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.852 -7.650 -8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.066 -10.464 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.971 -9.243 -6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.284 -10.864 -6.229 1.00 0.00 H new ATOM 914 N ALA A 59 3.538 -9.257 -3.160 1.00 0.00 N ATOM 915 CA ALA A 59 2.673 -8.747 -2.060 1.00 0.00 C ATOM 916 C ALA A 59 3.503 -7.920 -1.084 1.00 0.00 C ATOM 917 O ALA A 59 4.713 -7.829 -1.196 1.00 0.00 O ATOM 918 CB ALA A 59 2.043 -9.920 -1.308 1.00 0.00 C ATOM 0 H ALA A 59 4.536 -9.277 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 59 1.890 -8.124 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.412 -9.540 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.439 -10.511 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.829 -10.546 -0.886 1.00 0.00 H new ATOM 924 N ALA A 60 2.855 -7.312 -0.129 1.00 0.00 N ATOM 925 CA ALA A 60 3.581 -6.474 0.870 1.00 0.00 C ATOM 926 C ALA A 60 3.040 -6.752 2.273 1.00 0.00 C ATOM 927 O ALA A 60 1.848 -6.893 2.481 1.00 0.00 O ATOM 928 CB ALA A 60 3.376 -4.999 0.523 1.00 0.00 C ATOM 0 H ALA A 60 1.845 -7.360 0.004 1.00 0.00 H new ATOM 0 HA ALA A 60 4.644 -6.715 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.903 -4.378 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.767 -4.802 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.312 -4.764 0.549 1.00 0.00 H new ATOM 934 N LYS A 61 3.923 -6.823 3.232 1.00 0.00 N ATOM 935 CA LYS A 61 3.513 -7.081 4.644 1.00 0.00 C ATOM 936 C LYS A 61 4.118 -6.005 5.543 1.00 0.00 C ATOM 937 O LYS A 61 5.188 -5.485 5.278 1.00 0.00 O ATOM 938 CB LYS A 61 4.009 -8.456 5.094 1.00 0.00 C ATOM 939 CG LYS A 61 3.496 -8.731 6.512 1.00 0.00 C ATOM 940 CD LYS A 61 3.926 -10.129 6.959 1.00 0.00 C ATOM 941 CE LYS A 61 3.392 -10.394 8.369 1.00 0.00 C ATOM 942 NZ LYS A 61 3.777 -11.768 8.799 1.00 0.00 N ATOM 0 H LYS A 61 4.928 -6.711 3.095 1.00 0.00 H new ATOM 0 HA LYS A 61 2.425 -7.057 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.655 -9.227 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.098 -8.488 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.888 -7.983 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.409 -8.650 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.544 -10.879 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.013 -10.209 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.794 -9.658 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.307 -10.288 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.414 -11.947 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.373 -12.464 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.813 -11.854 8.800 1.00 0.00 H new ATOM 956 N ALA A 62 3.427 -5.671 6.596 1.00 0.00 N ATOM 957 CA ALA A 62 3.924 -4.625 7.534 1.00 0.00 C ATOM 958 C ALA A 62 4.141 -3.318 6.763 1.00 0.00 C ATOM 959 O ALA A 62 5.213 -2.742 6.764 1.00 0.00 O ATOM 960 CB ALA A 62 5.232 -5.091 8.184 1.00 0.00 C ATOM 0 H ALA A 62 2.529 -6.082 6.850 1.00 0.00 H new ATOM 0 HA ALA A 62 3.189 -4.455 8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.592 -4.323 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.056 -6.015 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.980 -5.267 7.411 1.00 0.00 H new ATOM 966 N ILE A 63 3.112 -2.856 6.101 1.00 0.00 N ATOM 967 CA ILE A 63 3.220 -1.594 5.314 1.00 0.00 C ATOM 968 C ILE A 63 3.136 -0.385 6.245 1.00 0.00 C ATOM 969 O ILE A 63 2.263 -0.294 7.089 1.00 0.00 O ATOM 970 CB ILE A 63 2.085 -1.530 4.293 1.00 0.00 C ATOM 971 CG1 ILE A 63 2.240 -2.677 3.292 1.00 0.00 C ATOM 972 CG2 ILE A 63 2.144 -0.194 3.547 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.950 -2.835 2.486 1.00 0.00 C ATOM 0 H ILE A 63 2.196 -3.303 6.072 1.00 0.00 H new ATOM 0 HA ILE A 63 4.180 -1.579 4.797 1.00 0.00 H new ATOM 0 HB ILE A 63 1.127 -1.618 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.077 -2.478 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.467 -3.604 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.334 -0.148 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.039 0.625 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.101 -0.107 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.064 -3.653 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.123 -3.054 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.742 -1.911 1.947 1.00 0.00 H new ATOM 985 N SER A 64 4.041 0.546 6.087 1.00 0.00 N ATOM 986 CA SER A 64 4.043 1.767 6.948 1.00 0.00 C ATOM 987 C SER A 64 3.572 2.967 6.128 1.00 0.00 C ATOM 988 O SER A 64 4.115 3.284 5.080 1.00 0.00 O ATOM 989 CB SER A 64 5.457 2.012 7.475 1.00 0.00 C ATOM 990 OG SER A 64 5.699 1.141 8.570 1.00 0.00 O ATOM 0 H SER A 64 4.786 0.512 5.391 1.00 0.00 H new ATOM 0 HA SER A 64 3.367 1.626 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.188 1.837 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.568 3.050 7.788 1.00 0.00 H new ATOM 0 HG SER A 64 6.605 1.291 8.913 1.00 0.00 H new ATOM 996 N LEU A 65 2.557 3.629 6.610 1.00 0.00 N ATOM 997 CA LEU A 65 2.009 4.809 5.892 1.00 0.00 C ATOM 998 C LEU A 65 2.672 6.087 6.442 1.00 0.00 C ATOM 999 O LEU A 65 2.467 6.440 7.589 1.00 0.00 O ATOM 1000 CB LEU A 65 0.492 4.888 6.125 1.00 0.00 C ATOM 1001 CG LEU A 65 0.143 4.472 7.574 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -1.116 5.220 8.040 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.114 2.952 7.638 1.00 0.00 C ATOM 0 H LEU A 65 2.080 3.398 7.481 1.00 0.00 H new ATOM 0 HA LEU A 65 2.211 4.716 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.142 5.903 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.024 4.237 5.419 1.00 0.00 H new ATOM 0 HG LEU A 65 0.980 4.725 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.358 4.924 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.934 6.294 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.950 4.973 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.359 2.667 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.945 2.696 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.780 2.418 7.317 1.00 0.00 H new ATOM 1015 N PRO A 66 3.461 6.773 5.654 1.00 0.00 N ATOM 1016 CA PRO A 66 4.145 8.016 6.100 1.00 0.00 C ATOM 1017 C PRO A 66 3.222 9.238 6.062 1.00 0.00 C ATOM 1018 O PRO A 66 2.026 9.127 5.870 1.00 0.00 O ATOM 1019 CB PRO A 66 5.288 8.166 5.089 1.00 0.00 C ATOM 1020 CG PRO A 66 4.753 7.567 3.827 1.00 0.00 C ATOM 1021 CD PRO A 66 3.793 6.455 4.253 1.00 0.00 C ATOM 0 HA PRO A 66 4.479 7.953 7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.558 9.212 4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.186 7.647 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.237 8.318 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.561 7.169 3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.901 6.439 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.259 5.473 4.168 1.00 0.00 H new