USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 476 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 1 GLY N :NH3+ -132:sc= 0.0585 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc=-0.00858 (180deg=-0.238) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -13:sc= 0.126 USER MOD Single : A 11 THR OG1 : rot 164:sc= 1.23 USER MOD Single : A 15 TYR OH : rot 130:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.795 USER MOD Single : A 32 HIS : no HE2:sc= 0.00417 X(o=0.0042,f=-0.073) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.131 (180deg=-1.04) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= -0.897 (180deg=-0.922) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc=-0.00637 (180deg=-0.106) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.334 -5.800 7.300 1.00 0.00 N ATOM 2 CA GLY A 1 -12.142 -6.231 6.516 1.00 0.00 C ATOM 3 C GLY A 1 -12.112 -5.644 5.115 1.00 0.00 C ATOM 4 O GLY A 1 -12.884 -4.737 4.795 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.032 -5.480 8.242 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.811 -5.019 6.805 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.991 -6.600 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.237 -5.936 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.131 -7.319 6.449 1.00 0.00 H new ATOM 10 N ALA A 2 -11.213 -6.163 4.280 1.00 0.00 N ATOM 11 CA ALA A 2 -11.065 -5.697 2.901 1.00 0.00 C ATOM 12 C ALA A 2 -12.227 -6.152 2.020 1.00 0.00 C ATOM 13 O ALA A 2 -12.885 -7.155 2.303 1.00 0.00 O ATOM 14 CB ALA A 2 -9.749 -6.191 2.323 1.00 0.00 C ATOM 0 H ALA A 2 -10.571 -6.913 4.537 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.070 -4.607 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.648 -5.839 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.922 -5.808 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.732 -7.281 2.336 1.00 0.00 H new ATOM 20 N MET A 3 -12.452 -5.388 0.939 1.00 0.00 N ATOM 21 CA MET A 3 -13.426 -5.745 -0.096 1.00 0.00 C ATOM 22 C MET A 3 -13.584 -4.590 -1.087 1.00 0.00 C ATOM 23 O MET A 3 -14.036 -3.517 -0.691 1.00 0.00 O ATOM 24 CB MET A 3 -14.783 -6.180 0.470 1.00 0.00 C ATOM 25 CG MET A 3 -15.772 -6.623 -0.599 1.00 0.00 C ATOM 26 SD MET A 3 -15.136 -7.974 -1.611 1.00 0.00 S ATOM 27 CE MET A 3 -16.440 -8.130 -2.829 1.00 0.00 C ATOM 0 H MET A 3 -11.964 -4.510 0.761 1.00 0.00 H new ATOM 0 HA MET A 3 -13.031 -6.617 -0.618 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.629 -6.999 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.215 -5.353 1.033 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.701 -6.936 -0.123 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.013 -5.775 -1.240 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.191 -8.928 -3.528 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.379 -8.366 -2.328 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.544 -7.191 -3.373 1.00 0.00 H new ATOM 37 N GLY A 4 -13.208 -4.815 -2.361 1.00 0.00 N ATOM 38 CA GLY A 4 -13.279 -3.771 -3.396 1.00 0.00 C ATOM 39 C GLY A 4 -14.214 -2.610 -3.070 1.00 0.00 C ATOM 40 O GLY A 4 -15.381 -2.649 -3.469 1.00 0.00 O ATOM 0 H GLY A 4 -12.853 -5.711 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.277 -3.376 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.602 -4.228 -4.331 1.00 0.00 H new ATOM 44 N ALA A 5 -13.738 -1.577 -2.358 1.00 0.00 N ATOM 45 CA ALA A 5 -14.602 -0.438 -2.036 1.00 0.00 C ATOM 46 C ALA A 5 -14.095 0.882 -2.634 1.00 0.00 C ATOM 47 O ALA A 5 -14.578 1.952 -2.257 1.00 0.00 O ATOM 48 CB ALA A 5 -14.737 -0.304 -0.523 1.00 0.00 C ATOM 0 H ALA A 5 -12.784 -1.509 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.575 -0.638 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.380 0.544 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.175 -1.215 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -13.753 -0.145 -0.083 1.00 0.00 H new ATOM 54 N LYS A 6 -13.121 0.812 -3.555 1.00 0.00 N ATOM 55 CA LYS A 6 -12.569 2.021 -4.178 1.00 0.00 C ATOM 56 C LYS A 6 -11.751 2.788 -3.136 1.00 0.00 C ATOM 57 O LYS A 6 -12.042 3.942 -2.809 1.00 0.00 O ATOM 58 CB LYS A 6 -13.671 2.900 -4.782 1.00 0.00 C ATOM 59 CG LYS A 6 -14.420 2.237 -5.930 1.00 0.00 C ATOM 60 CD LYS A 6 -15.596 3.084 -6.399 1.00 0.00 C ATOM 61 CE LYS A 6 -16.742 3.071 -5.395 1.00 0.00 C ATOM 62 NZ LYS A 6 -17.365 1.722 -5.271 1.00 0.00 N ATOM 0 H LYS A 6 -12.704 -0.060 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.919 1.730 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.383 3.164 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.228 3.830 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.736 2.071 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.780 1.258 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.264 4.110 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.951 2.712 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.373 3.390 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.499 3.793 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.289 1.808 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.495 1.311 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.746 1.104 -4.708 1.00 0.00 H new ATOM 76 N GLU A 7 -10.725 2.113 -2.618 1.00 0.00 N ATOM 77 CA GLU A 7 -9.882 2.661 -1.557 1.00 0.00 C ATOM 78 C GLU A 7 -8.581 3.286 -2.058 1.00 0.00 C ATOM 79 O GLU A 7 -7.878 2.724 -2.900 1.00 0.00 O ATOM 80 CB GLU A 7 -9.560 1.558 -0.550 1.00 0.00 C ATOM 81 CG GLU A 7 -10.788 0.985 0.141 1.00 0.00 C ATOM 82 CD GLU A 7 -10.440 -0.080 1.162 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.162 0.284 2.323 1.00 0.00 O ATOM 84 OE2 GLU A 7 -10.446 -1.276 0.801 1.00 0.00 O ATOM 0 H GLU A 7 -10.456 1.177 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.451 3.467 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.033 0.753 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.881 1.954 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.332 1.791 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.456 0.560 -0.608 1.00 0.00 H new ATOM 91 N TYR A 8 -8.293 4.473 -1.514 1.00 0.00 N ATOM 92 CA TYR A 8 -7.071 5.214 -1.814 1.00 0.00 C ATOM 93 C TYR A 8 -6.338 5.519 -0.504 1.00 0.00 C ATOM 94 O TYR A 8 -6.965 5.527 0.560 1.00 0.00 O ATOM 95 CB TYR A 8 -7.394 6.524 -2.541 1.00 0.00 C ATOM 96 CG TYR A 8 -8.319 6.358 -3.728 1.00 0.00 C ATOM 97 CD1 TYR A 8 -9.699 6.382 -3.567 1.00 0.00 C ATOM 98 CD2 TYR A 8 -7.810 6.185 -5.009 1.00 0.00 C ATOM 99 CE1 TYR A 8 -10.546 6.235 -4.649 1.00 0.00 C ATOM 100 CE2 TYR A 8 -8.650 6.039 -6.096 1.00 0.00 C ATOM 101 CZ TYR A 8 -10.018 6.065 -5.911 1.00 0.00 C ATOM 102 OH TYR A 8 -10.860 5.922 -6.990 1.00 0.00 O ATOM 0 H TYR A 8 -8.906 4.946 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.440 4.608 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.848 7.218 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.463 6.979 -2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.116 6.518 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.740 6.164 -5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.616 6.253 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.239 5.905 -7.086 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.329 5.813 -7.807 1.00 0.00 H new ATOM 112 N CYS A 9 -5.032 5.778 -0.557 1.00 0.00 N ATOM 113 CA CYS A 9 -4.296 6.081 0.675 1.00 0.00 C ATOM 114 C CYS A 9 -3.030 6.900 0.433 1.00 0.00 C ATOM 115 O CYS A 9 -2.369 6.750 -0.594 1.00 0.00 O ATOM 116 CB CYS A 9 -3.942 4.788 1.415 1.00 0.00 C ATOM 117 SG CYS A 9 -3.167 3.524 0.378 1.00 0.00 S ATOM 0 H CYS A 9 -4.473 5.785 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.959 6.692 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.270 5.027 2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.850 4.374 1.854 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.301 3.848 -0.874 1.00 0.00 H new ATOM 123 N ARG A 10 -2.705 7.763 1.398 1.00 0.00 N ATOM 124 CA ARG A 10 -1.504 8.593 1.330 1.00 0.00 C ATOM 125 C ARG A 10 -0.445 8.049 2.285 1.00 0.00 C ATOM 126 O ARG A 10 -0.745 7.737 3.434 1.00 0.00 O ATOM 127 CB ARG A 10 -1.820 10.051 1.672 1.00 0.00 C ATOM 128 CG ARG A 10 -0.652 10.995 1.434 1.00 0.00 C ATOM 129 CD ARG A 10 -0.958 12.402 1.920 1.00 0.00 C ATOM 130 NE ARG A 10 -1.177 12.449 3.367 1.00 0.00 N ATOM 131 CZ ARG A 10 -0.196 12.484 4.275 1.00 0.00 C ATOM 132 NH1 ARG A 10 1.080 12.460 3.895 1.00 0.00 N ATOM 133 NH2 ARG A 10 -0.494 12.540 5.568 1.00 0.00 N ATOM 0 H ARG A 10 -3.262 7.904 2.241 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.123 8.561 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.671 10.380 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.121 10.114 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.232 10.617 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.416 11.021 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.133 13.064 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.843 12.778 1.407 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.140 12.455 3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.316 12.415 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.821 12.487 4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.469 12.556 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.252 12.567 6.263 1.00 0.00 H new ATOM 147 N THR A 11 0.793 7.947 1.820 1.00 0.00 N ATOM 148 CA THR A 11 1.880 7.422 2.649 1.00 0.00 C ATOM 149 C THR A 11 2.324 8.427 3.715 1.00 0.00 C ATOM 150 O THR A 11 2.417 9.627 3.453 1.00 0.00 O ATOM 151 CB THR A 11 3.098 7.026 1.791 1.00 0.00 C ATOM 152 OG1 THR A 11 3.482 8.121 0.949 1.00 0.00 O ATOM 153 CG2 THR A 11 2.784 5.808 0.932 1.00 0.00 C ATOM 0 H THR A 11 1.073 8.219 0.878 1.00 0.00 H new ATOM 0 HA THR A 11 1.485 6.536 3.147 1.00 0.00 H new ATOM 0 HB THR A 11 3.920 6.777 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.385 7.965 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.659 5.548 0.336 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.520 4.968 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.948 6.035 0.270 1.00 0.00 H new ATOM 161 N LEU A 12 2.592 7.919 4.925 1.00 0.00 N ATOM 162 CA LEU A 12 3.044 8.751 6.045 1.00 0.00 C ATOM 163 C LEU A 12 4.559 8.639 6.240 1.00 0.00 C ATOM 164 O LEU A 12 5.172 9.517 6.852 1.00 0.00 O ATOM 165 CB LEU A 12 2.338 8.337 7.341 1.00 0.00 C ATOM 166 CG LEU A 12 0.815 8.490 7.340 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.229 7.927 8.625 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.421 9.952 7.169 1.00 0.00 C ATOM 0 H LEU A 12 2.502 6.929 5.153 1.00 0.00 H new ATOM 0 HA LEU A 12 2.794 9.785 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.581 7.295 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.745 8.929 8.161 1.00 0.00 H new ATOM 0 HG LEU A 12 0.412 7.928 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.855 8.042 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.481 6.870 8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.640 8.465 9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.666 10.039 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.833 10.538 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.813 10.326 6.223 1.00 0.00 H new ATOM 180 N PHE A 13 5.162 7.559 5.728 1.00 0.00 N ATOM 181 CA PHE A 13 6.601 7.341 5.871 1.00 0.00 C ATOM 182 C PHE A 13 7.153 6.599 4.655 1.00 0.00 C ATOM 183 O PHE A 13 6.448 5.790 4.046 1.00 0.00 O ATOM 184 CB PHE A 13 6.901 6.545 7.148 1.00 0.00 C ATOM 185 CG PHE A 13 6.507 7.254 8.415 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.273 8.301 8.906 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.370 6.876 9.114 1.00 0.00 C ATOM 188 CE1 PHE A 13 6.911 8.957 10.068 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.006 7.528 10.277 1.00 0.00 C ATOM 190 CZ PHE A 13 5.777 8.571 10.754 1.00 0.00 C ATOM 0 H PHE A 13 4.675 6.826 5.213 1.00 0.00 H new ATOM 0 HA PHE A 13 7.087 8.314 5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.378 5.590 7.100 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.968 6.323 7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.162 8.607 8.375 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.762 6.063 8.745 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.515 9.771 10.439 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.119 7.223 10.813 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.493 9.083 11.662 1.00 0.00 H new ATOM 200 N PRO A 14 8.420 6.862 4.281 1.00 0.00 N ATOM 201 CA PRO A 14 9.043 6.208 3.129 1.00 0.00 C ATOM 202 C PRO A 14 9.315 4.729 3.399 1.00 0.00 C ATOM 203 O PRO A 14 9.808 4.362 4.469 1.00 0.00 O ATOM 204 CB PRO A 14 10.363 6.967 2.932 1.00 0.00 C ATOM 205 CG PRO A 14 10.279 8.170 3.817 1.00 0.00 C ATOM 206 CD PRO A 14 9.336 7.810 4.929 1.00 0.00 C ATOM 0 HA PRO A 14 8.399 6.236 2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.216 6.344 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.495 7.257 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.261 8.433 4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.915 9.035 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.858 7.357 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.810 8.684 5.313 1.00 0.00 H new ATOM 214 N TYR A 15 8.980 3.888 2.425 1.00 0.00 N ATOM 215 CA TYR A 15 9.173 2.447 2.537 1.00 0.00 C ATOM 216 C TYR A 15 9.923 1.911 1.320 1.00 0.00 C ATOM 217 O TYR A 15 9.550 2.186 0.179 1.00 0.00 O ATOM 218 CB TYR A 15 7.820 1.742 2.676 1.00 0.00 C ATOM 219 CG TYR A 15 7.917 0.231 2.717 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.257 -0.433 3.890 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.670 -0.529 1.581 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.348 -1.812 3.927 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.759 -1.908 1.611 1.00 0.00 C ATOM 224 CZ TYR A 15 8.098 -2.545 2.784 1.00 0.00 C ATOM 225 OH TYR A 15 8.187 -3.919 2.816 1.00 0.00 O ATOM 0 H TYR A 15 8.569 4.185 1.540 1.00 0.00 H new ATOM 0 HA TYR A 15 9.769 2.246 3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.332 2.090 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.182 2.033 1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.453 0.137 4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.404 -0.034 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.613 -2.314 4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.564 -2.484 0.718 1.00 0.00 H new ATOM 0 HH TYR A 15 7.377 -4.308 2.425 1.00 0.00 H new ATOM 235 N THR A 16 10.981 1.143 1.575 1.00 0.00 N ATOM 236 CA THR A 16 11.781 0.558 0.506 1.00 0.00 C ATOM 237 C THR A 16 11.549 -0.947 0.441 1.00 0.00 C ATOM 238 O THR A 16 11.628 -1.635 1.460 1.00 0.00 O ATOM 239 CB THR A 16 13.288 0.830 0.708 1.00 0.00 C ATOM 240 OG1 THR A 16 13.520 2.239 0.841 1.00 0.00 O ATOM 241 CG2 THR A 16 14.102 0.290 -0.460 1.00 0.00 C ATOM 0 H THR A 16 11.303 0.912 2.515 1.00 0.00 H new ATOM 0 HA THR A 16 11.469 1.024 -0.428 1.00 0.00 H new ATOM 0 HB THR A 16 13.604 0.320 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.478 2.402 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.159 0.495 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.950 -0.786 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.781 0.774 -1.382 1.00 0.00 H new ATOM 249 N GLY A 17 11.256 -1.455 -0.757 1.00 0.00 N ATOM 250 CA GLY A 17 11.018 -2.878 -0.919 1.00 0.00 C ATOM 251 C GLY A 17 12.307 -3.674 -0.987 1.00 0.00 C ATOM 252 O GLY A 17 13.308 -3.199 -1.526 1.00 0.00 O ATOM 0 H GLY A 17 11.180 -0.907 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.414 -3.240 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.441 -3.046 -1.829 1.00 0.00 H new ATOM 256 N THR A 18 12.281 -4.885 -0.438 1.00 0.00 N ATOM 257 CA THR A 18 13.457 -5.747 -0.431 1.00 0.00 C ATOM 258 C THR A 18 13.344 -6.873 -1.467 1.00 0.00 C ATOM 259 O THR A 18 14.136 -7.817 -1.463 1.00 0.00 O ATOM 260 CB THR A 18 13.680 -6.366 0.966 1.00 0.00 C ATOM 261 OG1 THR A 18 12.530 -7.124 1.359 1.00 0.00 O ATOM 262 CG2 THR A 18 13.956 -5.283 2.001 1.00 0.00 C ATOM 0 H THR A 18 11.458 -5.291 0.008 1.00 0.00 H new ATOM 0 HA THR A 18 14.308 -5.118 -0.691 1.00 0.00 H new ATOM 0 HB THR A 18 14.546 -7.025 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.682 -7.513 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.110 -5.743 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.850 -4.727 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.106 -4.602 2.051 1.00 0.00 H new ATOM 270 N ASN A 19 12.350 -6.755 -2.359 1.00 0.00 N ATOM 271 CA ASN A 19 12.092 -7.747 -3.399 1.00 0.00 C ATOM 272 C ASN A 19 11.472 -7.083 -4.632 1.00 0.00 C ATOM 273 O ASN A 19 11.004 -5.943 -4.573 1.00 0.00 O ATOM 274 CB ASN A 19 11.128 -8.812 -2.870 1.00 0.00 C ATOM 275 CG ASN A 19 11.525 -10.211 -3.292 1.00 0.00 C ATOM 276 OD1 ASN A 19 11.156 -10.677 -4.370 1.00 0.00 O ATOM 277 ND2 ASN A 19 12.278 -10.890 -2.436 1.00 0.00 N ATOM 0 H ASN A 19 11.704 -5.966 -2.375 1.00 0.00 H new ATOM 0 HA ASN A 19 13.040 -8.208 -3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.095 -8.759 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.122 -8.599 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.575 -11.840 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.560 -10.462 -1.554 1.00 0.00 H new ATOM 284 N GLU A 20 11.468 -7.806 -5.753 1.00 0.00 N ATOM 285 CA GLU A 20 10.883 -7.294 -6.995 1.00 0.00 C ATOM 286 C GLU A 20 9.352 -7.235 -6.907 1.00 0.00 C ATOM 287 O GLU A 20 8.707 -6.565 -7.715 1.00 0.00 O ATOM 288 CB GLU A 20 11.306 -8.151 -8.193 1.00 0.00 C ATOM 289 CG GLU A 20 12.639 -7.748 -8.808 1.00 0.00 C ATOM 290 CD GLU A 20 12.581 -6.411 -9.527 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.197 -6.395 -10.717 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.924 -5.383 -8.905 1.00 0.00 O ATOM 0 H GLU A 20 11.861 -8.744 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 20 11.258 -6.281 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.364 -9.193 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.533 -8.092 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.395 -7.700 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.957 -8.519 -9.510 1.00 0.00 H new ATOM 299 N ASP A 21 8.774 -7.933 -5.922 1.00 0.00 N ATOM 300 CA ASP A 21 7.320 -7.955 -5.735 1.00 0.00 C ATOM 301 C ASP A 21 6.890 -6.908 -4.709 1.00 0.00 C ATOM 302 O ASP A 21 5.817 -6.314 -4.829 1.00 0.00 O ATOM 303 CB ASP A 21 6.861 -9.342 -5.272 1.00 0.00 C ATOM 304 CG ASP A 21 7.351 -10.453 -6.180 1.00 0.00 C ATOM 305 OD1 ASP A 21 6.671 -10.744 -7.188 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.415 -11.034 -5.882 1.00 0.00 O ATOM 0 H ASP A 21 9.292 -8.490 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 21 6.855 -7.723 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.222 -9.520 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.772 -9.365 -5.231 1.00 0.00 H new ATOM 311 N GLU A 22 7.740 -6.685 -3.703 1.00 0.00 N ATOM 312 CA GLU A 22 7.459 -5.711 -2.653 1.00 0.00 C ATOM 313 C GLU A 22 7.431 -4.295 -3.237 1.00 0.00 C ATOM 314 O GLU A 22 8.234 -3.963 -4.111 1.00 0.00 O ATOM 315 CB GLU A 22 8.512 -5.807 -1.540 1.00 0.00 C ATOM 316 CG GLU A 22 8.005 -5.352 -0.178 1.00 0.00 C ATOM 317 CD GLU A 22 8.203 -6.403 0.896 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.305 -6.449 1.485 1.00 0.00 O ATOM 319 OE2 GLU A 22 7.259 -7.180 1.148 1.00 0.00 O ATOM 0 H GLU A 22 8.631 -7.170 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 22 6.481 -5.932 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.855 -6.839 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.376 -5.203 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.524 -4.438 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.945 -5.107 -0.252 1.00 0.00 H new ATOM 326 N LEU A 23 6.516 -3.462 -2.744 1.00 0.00 N ATOM 327 CA LEU A 23 6.376 -2.095 -3.243 1.00 0.00 C ATOM 328 C LEU A 23 7.374 -1.140 -2.589 1.00 0.00 C ATOM 329 O LEU A 23 7.797 -1.347 -1.453 1.00 0.00 O ATOM 330 CB LEU A 23 4.945 -1.592 -3.040 1.00 0.00 C ATOM 331 CG LEU A 23 3.980 -1.914 -4.186 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.536 -1.727 -3.746 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.284 -1.044 -5.397 1.00 0.00 C ATOM 0 H LEU A 23 5.862 -3.709 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 23 6.596 -2.117 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.551 -2.024 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.972 -0.511 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 23 4.118 -2.959 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.869 -1.961 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.322 -2.392 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.381 -0.693 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.590 -1.285 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.175 0.006 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.305 -1.229 -5.731 1.00 0.00 H new ATOM 345 N THR A 24 7.739 -0.090 -3.322 1.00 0.00 N ATOM 346 CA THR A 24 8.669 0.913 -2.821 1.00 0.00 C ATOM 347 C THR A 24 8.081 2.307 -3.030 1.00 0.00 C ATOM 348 O THR A 24 7.606 2.622 -4.124 1.00 0.00 O ATOM 349 CB THR A 24 10.036 0.818 -3.526 1.00 0.00 C ATOM 350 OG1 THR A 24 10.595 -0.488 -3.339 1.00 0.00 O ATOM 351 CG2 THR A 24 11.003 1.866 -2.993 1.00 0.00 C ATOM 0 H THR A 24 7.402 0.086 -4.268 1.00 0.00 H new ATOM 0 HA THR A 24 8.824 0.729 -1.758 1.00 0.00 H new ATOM 0 HB THR A 24 9.879 1.001 -4.589 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.463 -0.540 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.959 1.775 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.592 2.861 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.152 1.714 -1.924 1.00 0.00 H new ATOM 359 N PHE A 25 8.108 3.138 -1.991 1.00 0.00 N ATOM 360 CA PHE A 25 7.558 4.488 -2.088 1.00 0.00 C ATOM 361 C PHE A 25 8.143 5.414 -1.018 1.00 0.00 C ATOM 362 O PHE A 25 8.793 4.958 -0.077 1.00 0.00 O ATOM 363 CB PHE A 25 6.028 4.445 -1.962 1.00 0.00 C ATOM 364 CG PHE A 25 5.531 3.531 -0.873 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.448 3.972 0.438 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.146 2.229 -1.163 1.00 0.00 C ATOM 367 CE1 PHE A 25 4.990 3.135 1.438 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.688 1.388 -0.166 1.00 0.00 C ATOM 369 CZ PHE A 25 4.610 1.842 1.136 1.00 0.00 C ATOM 0 H PHE A 25 8.501 2.904 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 25 7.832 4.888 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.660 5.453 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.604 4.125 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.745 4.982 0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.205 1.869 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.929 3.492 2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.392 0.377 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.252 1.187 1.917 1.00 0.00 H new ATOM 379 N ARG A 26 7.918 6.716 -1.181 1.00 0.00 N ATOM 380 CA ARG A 26 8.393 7.711 -0.218 1.00 0.00 C ATOM 381 C ARG A 26 7.209 8.361 0.488 1.00 0.00 C ATOM 382 O ARG A 26 6.064 8.202 0.058 1.00 0.00 O ATOM 383 CB ARG A 26 9.232 8.777 -0.922 1.00 0.00 C ATOM 384 CG ARG A 26 10.619 8.297 -1.310 1.00 0.00 C ATOM 385 CD ARG A 26 11.282 9.246 -2.291 1.00 0.00 C ATOM 386 NE ARG A 26 10.709 9.133 -3.632 1.00 0.00 N ATOM 387 CZ ARG A 26 11.180 8.320 -4.584 1.00 0.00 C ATOM 388 NH1 ARG A 26 12.232 7.539 -4.349 1.00 0.00 N ATOM 389 NH2 ARG A 26 10.591 8.286 -5.775 1.00 0.00 N ATOM 0 H ARG A 26 7.409 7.109 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 26 9.017 7.209 0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.707 9.108 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.326 9.644 -0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.237 8.206 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.551 7.303 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.173 10.270 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.351 9.035 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 26 9.899 9.711 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.687 7.557 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.583 6.923 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.782 8.879 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.948 7.667 -6.503 1.00 0.00 H new ATOM 403 N GLU A 27 7.474 9.098 1.570 1.00 0.00 N ATOM 404 CA GLU A 27 6.402 9.760 2.309 1.00 0.00 C ATOM 405 C GLU A 27 5.733 10.823 1.438 1.00 0.00 C ATOM 406 O GLU A 27 6.407 11.571 0.727 1.00 0.00 O ATOM 407 CB GLU A 27 6.933 10.374 3.614 1.00 0.00 C ATOM 408 CG GLU A 27 5.902 11.187 4.386 1.00 0.00 C ATOM 409 CD GLU A 27 5.989 12.676 4.098 1.00 0.00 C ATOM 410 OE1 GLU A 27 6.861 13.344 4.694 1.00 0.00 O ATOM 411 OE2 GLU A 27 5.187 13.175 3.281 1.00 0.00 O ATOM 0 H GLU A 27 8.409 9.249 1.948 1.00 0.00 H new ATOM 0 HA GLU A 27 5.654 9.012 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.302 9.574 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.784 11.014 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.903 10.831 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.040 11.020 5.454 1.00 0.00 H new ATOM 418 N GLY A 28 4.403 10.882 1.503 1.00 0.00 N ATOM 419 CA GLY A 28 3.656 11.824 0.687 1.00 0.00 C ATOM 420 C GLY A 28 3.494 11.305 -0.731 1.00 0.00 C ATOM 421 O GLY A 28 4.084 11.843 -1.670 1.00 0.00 O ATOM 0 H GLY A 28 3.830 10.293 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.675 11.996 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.171 12.785 0.670 1.00 0.00 H new ATOM 425 N GLU A 29 2.694 10.250 -0.877 1.00 0.00 N ATOM 426 CA GLU A 29 2.452 9.615 -2.168 1.00 0.00 C ATOM 427 C GLU A 29 1.157 8.813 -2.100 1.00 0.00 C ATOM 428 O GLU A 29 0.971 8.023 -1.177 1.00 0.00 O ATOM 429 CB GLU A 29 3.617 8.685 -2.532 1.00 0.00 C ATOM 430 CG GLU A 29 3.869 8.561 -4.030 1.00 0.00 C ATOM 431 CD GLU A 29 2.701 7.940 -4.778 1.00 0.00 C ATOM 432 OE1 GLU A 29 2.491 6.714 -4.644 1.00 0.00 O ATOM 433 OE2 GLU A 29 1.996 8.680 -5.496 1.00 0.00 O ATOM 0 H GLU A 29 2.196 9.812 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 29 2.368 10.386 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.524 9.051 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.418 7.694 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.073 9.549 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.761 7.957 -4.194 1.00 0.00 H new ATOM 440 N ILE A 30 0.261 9.010 -3.069 1.00 0.00 N ATOM 441 CA ILE A 30 -1.019 8.309 -3.054 1.00 0.00 C ATOM 442 C ILE A 30 -0.938 6.985 -3.800 1.00 0.00 C ATOM 443 O ILE A 30 -0.615 6.941 -4.988 1.00 0.00 O ATOM 444 CB ILE A 30 -2.150 9.163 -3.678 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.268 10.514 -2.965 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.481 8.416 -3.626 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.612 10.402 -1.495 1.00 0.00 C ATOM 0 H ILE A 30 0.396 9.639 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.251 8.121 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.898 9.347 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.326 11.052 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.032 11.111 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.262 9.033 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.396 7.483 -4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.736 8.198 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.678 11.399 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.569 9.893 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.837 9.833 -0.982 1.00 0.00 H new ATOM 459 N ILE A 31 -1.229 5.910 -3.076 1.00 0.00 N ATOM 460 CA ILE A 31 -1.188 4.562 -3.629 1.00 0.00 C ATOM 461 C ILE A 31 -2.596 4.019 -3.800 1.00 0.00 C ATOM 462 O ILE A 31 -3.492 4.348 -3.019 1.00 0.00 O ATOM 463 CB ILE A 31 -0.388 3.604 -2.719 1.00 0.00 C ATOM 464 CG1 ILE A 31 1.001 4.177 -2.421 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.270 2.230 -3.365 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.770 3.385 -1.389 1.00 0.00 C ATOM 0 H ILE A 31 -1.499 5.948 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.693 4.622 -4.598 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.925 3.498 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.578 4.211 -3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.895 5.205 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.297 1.568 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.266 1.817 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.244 2.321 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.744 3.847 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.214 3.373 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.908 2.363 -1.743 1.00 0.00 H new ATOM 478 N HIS A 32 -2.790 3.184 -4.814 1.00 0.00 N ATOM 479 CA HIS A 32 -4.102 2.602 -5.060 1.00 0.00 C ATOM 480 C HIS A 32 -4.265 1.373 -4.175 1.00 0.00 C ATOM 481 O HIS A 32 -3.537 0.390 -4.322 1.00 0.00 O ATOM 482 CB HIS A 32 -4.291 2.256 -6.542 1.00 0.00 C ATOM 483 CG HIS A 32 -3.890 3.365 -7.468 1.00 0.00 C ATOM 484 ND1 HIS A 32 -2.665 3.411 -8.102 1.00 0.00 N ATOM 485 CD2 HIS A 32 -4.553 4.482 -7.857 1.00 0.00 C ATOM 486 CE1 HIS A 32 -2.591 4.505 -8.838 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.724 5.171 -8.707 1.00 0.00 N ATOM 0 H HIS A 32 -2.065 2.898 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.874 3.330 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.706 1.367 -6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.337 2.006 -6.719 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -1.930 2.709 -8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.548 4.775 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.748 4.804 -9.443 1.00 0.00 H new ATOM 496 N LEU A 33 -5.231 1.431 -3.255 1.00 0.00 N ATOM 497 CA LEU A 33 -5.463 0.330 -2.327 1.00 0.00 C ATOM 498 C LEU A 33 -6.240 -0.787 -3.013 1.00 0.00 C ATOM 499 O LEU A 33 -7.422 -0.637 -3.330 1.00 0.00 O ATOM 500 CB LEU A 33 -6.215 0.822 -1.084 1.00 0.00 C ATOM 501 CG LEU A 33 -6.157 -0.110 0.134 1.00 0.00 C ATOM 502 CD1 LEU A 33 -6.676 0.603 1.372 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.955 -1.384 -0.116 1.00 0.00 C ATOM 0 H LEU A 33 -5.860 2.225 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.497 -0.063 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.811 1.793 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.260 0.978 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.116 -0.387 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.628 -0.071 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.063 1.483 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.709 0.910 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.898 -2.027 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.996 -1.129 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.542 -1.909 -0.978 1.00 0.00 H new ATOM 515 N ILE A 34 -5.560 -1.911 -3.241 1.00 0.00 N ATOM 516 CA ILE A 34 -6.174 -3.051 -3.912 1.00 0.00 C ATOM 517 C ILE A 34 -6.823 -4.011 -2.913 1.00 0.00 C ATOM 518 O ILE A 34 -7.963 -4.430 -3.117 1.00 0.00 O ATOM 519 CB ILE A 34 -5.151 -3.818 -4.783 1.00 0.00 C ATOM 520 CG1 ILE A 34 -4.427 -2.863 -5.738 1.00 0.00 C ATOM 521 CG2 ILE A 34 -5.832 -4.933 -5.569 1.00 0.00 C ATOM 522 CD1 ILE A 34 -5.347 -2.135 -6.698 1.00 0.00 C ATOM 0 H ILE A 34 -4.587 -2.054 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.951 -2.648 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.415 -4.267 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.876 -2.128 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.693 -3.428 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.091 -5.457 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.297 -5.634 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.595 -4.506 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.758 -1.479 -7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.880 -2.861 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.066 -1.541 -6.133 1.00 0.00 H new ATOM 534 N SER A 35 -6.104 -4.358 -1.839 1.00 0.00 N ATOM 535 CA SER A 35 -6.644 -5.277 -0.834 1.00 0.00 C ATOM 536 C SER A 35 -6.031 -5.047 0.549 1.00 0.00 C ATOM 537 O SER A 35 -4.817 -5.156 0.729 1.00 0.00 O ATOM 538 CB SER A 35 -6.402 -6.729 -1.264 1.00 0.00 C ATOM 539 OG SER A 35 -7.032 -7.014 -2.501 1.00 0.00 O ATOM 0 H SER A 35 -5.161 -4.021 -1.646 1.00 0.00 H new ATOM 0 HA SER A 35 -7.714 -5.082 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.331 -6.911 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.780 -7.405 -0.497 1.00 0.00 H new ATOM 0 HG SER A 35 -6.858 -7.946 -2.749 1.00 0.00 H new ATOM 545 N LYS A 36 -6.888 -4.732 1.525 1.00 0.00 N ATOM 546 CA LYS A 36 -6.441 -4.508 2.901 1.00 0.00 C ATOM 547 C LYS A 36 -6.127 -5.838 3.593 1.00 0.00 C ATOM 548 O LYS A 36 -5.399 -5.873 4.585 1.00 0.00 O ATOM 549 CB LYS A 36 -7.499 -3.744 3.703 1.00 0.00 C ATOM 550 CG LYS A 36 -7.692 -2.309 3.248 1.00 0.00 C ATOM 551 CD LYS A 36 -8.498 -1.501 4.256 1.00 0.00 C ATOM 552 CE LYS A 36 -9.948 -1.963 4.329 1.00 0.00 C ATOM 553 NZ LYS A 36 -10.149 -3.036 5.343 1.00 0.00 N ATOM 0 H LYS A 36 -7.893 -4.627 1.387 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.532 -3.908 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.450 -4.271 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.216 -3.747 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.719 -1.840 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.200 -2.298 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.039 -1.589 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.467 -0.446 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.586 -1.113 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.261 -2.328 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.095 -2.943 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.064 -3.966 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.428 -2.949 6.088 1.00 0.00 H new ATOM 567 N GLU A 37 -6.687 -6.926 3.062 1.00 0.00 N ATOM 568 CA GLU A 37 -6.458 -8.263 3.596 1.00 0.00 C ATOM 569 C GLU A 37 -5.682 -9.087 2.574 1.00 0.00 C ATOM 570 O GLU A 37 -6.272 -9.726 1.701 1.00 0.00 O ATOM 571 CB GLU A 37 -7.773 -8.947 3.979 1.00 0.00 C ATOM 572 CG GLU A 37 -7.593 -10.090 4.967 1.00 0.00 C ATOM 573 CD GLU A 37 -8.910 -10.597 5.521 1.00 0.00 C ATOM 574 OE1 GLU A 37 -9.457 -9.948 6.438 1.00 0.00 O ATOM 575 OE2 GLU A 37 -9.395 -11.642 5.039 1.00 0.00 O ATOM 0 H GLU A 37 -7.309 -6.902 2.254 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.869 -8.182 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.447 -8.207 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.252 -9.328 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.070 -10.911 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.961 -9.757 5.790 1.00 0.00 H new ATOM 582 N THR A 38 -4.355 -9.060 2.679 1.00 0.00 N ATOM 583 CA THR A 38 -3.502 -9.794 1.745 1.00 0.00 C ATOM 584 C THR A 38 -3.191 -11.216 2.237 1.00 0.00 C ATOM 585 O THR A 38 -2.405 -11.932 1.613 1.00 0.00 O ATOM 586 CB THR A 38 -2.177 -9.039 1.499 1.00 0.00 C ATOM 587 OG1 THR A 38 -1.393 -9.008 2.698 1.00 0.00 O ATOM 588 CG2 THR A 38 -2.447 -7.612 1.032 1.00 0.00 C ATOM 0 H THR A 38 -3.849 -8.541 3.397 1.00 0.00 H new ATOM 0 HA THR A 38 -4.059 -9.870 0.811 1.00 0.00 H new ATOM 0 HB THR A 38 -1.627 -9.567 0.720 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.555 -8.528 2.529 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.500 -7.099 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.016 -7.635 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.018 -7.082 1.794 1.00 0.00 H new ATOM 596 N GLY A 39 -3.816 -11.625 3.347 1.00 0.00 N ATOM 597 CA GLY A 39 -3.579 -12.948 3.902 1.00 0.00 C ATOM 598 C GLY A 39 -2.721 -12.903 5.161 1.00 0.00 C ATOM 599 O GLY A 39 -2.502 -13.927 5.813 1.00 0.00 O ATOM 0 H GLY A 39 -4.484 -11.058 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.534 -13.419 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.089 -13.571 3.154 1.00 0.00 H new ATOM 603 N GLU A 40 -2.233 -11.701 5.489 1.00 0.00 N ATOM 604 CA GLU A 40 -1.422 -11.463 6.671 1.00 0.00 C ATOM 605 C GLU A 40 -1.933 -10.207 7.371 1.00 0.00 C ATOM 606 O GLU A 40 -1.983 -9.130 6.779 1.00 0.00 O ATOM 607 CB GLU A 40 0.048 -11.303 6.292 1.00 0.00 C ATOM 608 CG GLU A 40 1.006 -11.950 7.279 1.00 0.00 C ATOM 609 CD GLU A 40 2.261 -12.477 6.609 1.00 0.00 C ATOM 610 OE1 GLU A 40 2.242 -13.633 6.137 1.00 0.00 O ATOM 611 OE2 GLU A 40 3.263 -11.733 6.556 1.00 0.00 O ATOM 0 H GLU A 40 -2.396 -10.863 4.931 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.500 -12.316 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.209 -11.737 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.281 -10.241 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.283 -11.222 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.499 -12.769 7.789 1.00 0.00 H new ATOM 618 N ALA A 41 -2.317 -10.361 8.637 1.00 0.00 N ATOM 619 CA ALA A 41 -2.832 -9.243 9.425 1.00 0.00 C ATOM 620 C ALA A 41 -1.830 -8.090 9.478 1.00 0.00 C ATOM 621 O ALA A 41 -0.627 -8.307 9.635 1.00 0.00 O ATOM 622 CB ALA A 41 -3.181 -9.696 10.833 1.00 0.00 C ATOM 0 H ALA A 41 -2.281 -11.248 9.139 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.737 -8.884 8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.563 -8.849 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.942 -10.475 10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.289 -10.089 11.320 1.00 0.00 H new ATOM 628 N GLY A 42 -2.340 -6.862 9.365 1.00 0.00 N ATOM 629 CA GLY A 42 -1.481 -5.688 9.397 1.00 0.00 C ATOM 630 C GLY A 42 -0.787 -5.401 8.071 1.00 0.00 C ATOM 631 O GLY A 42 0.053 -4.502 8.004 1.00 0.00 O ATOM 0 H GLY A 42 -3.334 -6.661 9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.077 -4.820 9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.725 -5.822 10.171 1.00 0.00 H new ATOM 635 N TRP A 43 -1.115 -6.161 7.016 1.00 0.00 N ATOM 636 CA TRP A 43 -0.501 -5.952 5.705 1.00 0.00 C ATOM 637 C TRP A 43 -1.537 -5.513 4.671 1.00 0.00 C ATOM 638 O TRP A 43 -2.647 -6.048 4.626 1.00 0.00 O ATOM 639 CB TRP A 43 0.185 -7.232 5.221 1.00 0.00 C ATOM 640 CG TRP A 43 1.486 -7.518 5.904 1.00 0.00 C ATOM 641 CD1 TRP A 43 1.663 -8.079 7.135 1.00 0.00 C ATOM 642 CD2 TRP A 43 2.794 -7.265 5.384 1.00 0.00 C ATOM 643 NE1 TRP A 43 3.004 -8.188 7.414 1.00 0.00 N ATOM 644 CE2 TRP A 43 3.720 -7.694 6.353 1.00 0.00 C ATOM 645 CE3 TRP A 43 3.273 -6.716 4.192 1.00 0.00 C ATOM 646 CZ2 TRP A 43 5.096 -7.592 6.165 1.00 0.00 C ATOM 647 CZ3 TRP A 43 4.638 -6.614 4.005 1.00 0.00 C ATOM 648 CH2 TRP A 43 5.537 -7.050 4.986 1.00 0.00 C ATOM 0 H TRP A 43 -1.797 -6.919 7.048 1.00 0.00 H new ATOM 0 HA TRP A 43 0.241 -5.161 5.815 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.489 -8.075 5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.358 -7.156 4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.866 -8.392 7.793 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.402 -8.573 8.270 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.588 -6.377 3.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.790 -7.928 6.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.018 -6.191 3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.599 -6.957 4.810 1.00 0.00 H new ATOM 659 N TRP A 44 -1.155 -4.552 3.826 1.00 0.00 N ATOM 660 CA TRP A 44 -2.035 -4.045 2.769 1.00 0.00 C ATOM 661 C TRP A 44 -1.378 -4.227 1.402 1.00 0.00 C ATOM 662 O TRP A 44 -0.166 -4.429 1.304 1.00 0.00 O ATOM 663 CB TRP A 44 -2.372 -2.564 2.992 1.00 0.00 C ATOM 664 CG TRP A 44 -3.468 -2.321 3.988 1.00 0.00 C ATOM 665 CD1 TRP A 44 -4.037 -3.229 4.834 1.00 0.00 C ATOM 666 CD2 TRP A 44 -4.126 -1.074 4.243 1.00 0.00 C ATOM 667 NE1 TRP A 44 -5.010 -2.626 5.593 1.00 0.00 N ATOM 668 CE2 TRP A 44 -5.082 -1.303 5.251 1.00 0.00 C ATOM 669 CE3 TRP A 44 -3.999 0.215 3.717 1.00 0.00 C ATOM 670 CZ2 TRP A 44 -5.906 -0.293 5.740 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -4.818 1.217 4.205 1.00 0.00 C ATOM 672 CH2 TRP A 44 -5.760 0.958 5.207 1.00 0.00 C ATOM 0 H TRP A 44 -0.237 -4.107 3.854 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.963 -4.617 2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.473 -2.046 3.325 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.660 -2.122 2.038 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.762 -4.271 4.897 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.585 -3.089 6.297 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.275 0.425 2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.634 -0.490 6.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.729 2.217 3.806 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.384 1.762 5.567 1.00 0.00 H new ATOM 683 N LYS A 45 -2.193 -4.150 0.349 1.00 0.00 N ATOM 684 CA LYS A 45 -1.713 -4.320 -1.020 1.00 0.00 C ATOM 685 C LYS A 45 -2.172 -3.171 -1.913 1.00 0.00 C ATOM 686 O LYS A 45 -3.308 -2.705 -1.807 1.00 0.00 O ATOM 687 CB LYS A 45 -2.208 -5.652 -1.594 1.00 0.00 C ATOM 688 CG LYS A 45 -1.778 -5.893 -3.032 1.00 0.00 C ATOM 689 CD LYS A 45 -2.221 -7.260 -3.527 1.00 0.00 C ATOM 690 CE LYS A 45 -1.881 -7.453 -4.997 1.00 0.00 C ATOM 691 NZ LYS A 45 -2.683 -6.558 -5.879 1.00 0.00 N ATOM 0 H LYS A 45 -3.194 -3.970 0.421 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.623 -4.320 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.837 -6.466 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.296 -5.679 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.200 -5.119 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.694 -5.812 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.738 -8.037 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.296 -7.371 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.820 -7.258 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.059 -8.491 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.495 -6.792 -6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.695 -6.689 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.420 -5.568 -5.701 1.00 0.00 H new ATOM 705 N GLY A 46 -1.279 -2.729 -2.794 1.00 0.00 N ATOM 706 CA GLY A 46 -1.593 -1.643 -3.709 1.00 0.00 C ATOM 707 C GLY A 46 -0.797 -1.729 -4.998 1.00 0.00 C ATOM 708 O GLY A 46 -0.021 -2.666 -5.191 1.00 0.00 O ATOM 0 H GLY A 46 -0.336 -3.106 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.658 -1.662 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.389 -0.690 -3.222 1.00 0.00 H new ATOM 712 N GLU A 47 -1.003 -0.760 -5.888 1.00 0.00 N ATOM 713 CA GLU A 47 -0.305 -0.737 -7.170 1.00 0.00 C ATOM 714 C GLU A 47 0.476 0.564 -7.338 1.00 0.00 C ATOM 715 O GLU A 47 -0.037 1.652 -7.073 1.00 0.00 O ATOM 716 CB GLU A 47 -1.303 -0.923 -8.323 1.00 0.00 C ATOM 717 CG GLU A 47 -0.863 -1.962 -9.346 1.00 0.00 C ATOM 718 CD GLU A 47 -0.117 -1.351 -10.517 1.00 0.00 C ATOM 719 OE1 GLU A 47 1.011 -0.860 -10.309 1.00 0.00 O ATOM 720 OE2 GLU A 47 -0.663 -1.358 -11.641 1.00 0.00 O ATOM 0 H GLU A 47 -1.647 0.018 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 47 0.406 -1.563 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.270 -1.215 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.446 0.033 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.225 -2.699 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.739 -2.495 -9.716 1.00 0.00 H new ATOM 727 N LEU A 48 1.725 0.425 -7.779 1.00 0.00 N ATOM 728 CA LEU A 48 2.607 1.563 -8.019 1.00 0.00 C ATOM 729 C LEU A 48 3.723 1.151 -8.977 1.00 0.00 C ATOM 730 O LEU A 48 4.431 0.171 -8.731 1.00 0.00 O ATOM 731 CB LEU A 48 3.200 2.108 -6.713 1.00 0.00 C ATOM 732 CG LEU A 48 4.057 3.370 -6.869 1.00 0.00 C ATOM 733 CD1 LEU A 48 3.212 4.524 -7.385 1.00 0.00 C ATOM 734 CD2 LEU A 48 4.720 3.739 -5.549 1.00 0.00 C ATOM 0 H LEU A 48 2.153 -0.479 -7.979 1.00 0.00 H new ATOM 0 HA LEU A 48 2.016 2.362 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.384 2.324 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.808 1.328 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 48 4.842 3.164 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.835 5.412 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.789 4.260 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.405 4.728 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.323 4.637 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.954 3.925 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.359 2.919 -5.221 1.00 0.00 H new ATOM 746 N ASN A 49 3.864 1.896 -10.073 1.00 0.00 N ATOM 747 CA ASN A 49 4.894 1.609 -11.072 1.00 0.00 C ATOM 748 C ASN A 49 4.613 0.282 -11.784 1.00 0.00 C ATOM 749 O ASN A 49 5.530 -0.492 -12.074 1.00 0.00 O ATOM 750 CB ASN A 49 6.288 1.594 -10.439 1.00 0.00 C ATOM 751 CG ASN A 49 6.699 2.949 -9.877 1.00 0.00 C ATOM 752 OD1 ASN A 49 6.284 3.998 -10.379 1.00 0.00 O ATOM 753 ND2 ASN A 49 7.527 2.936 -8.836 1.00 0.00 N ATOM 0 H ASN A 49 3.279 2.702 -10.292 1.00 0.00 H new ATOM 0 HA ASN A 49 4.867 2.407 -11.813 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.311 0.853 -9.640 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.017 1.280 -11.186 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.842 3.814 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.847 2.048 -8.450 1.00 0.00 H new ATOM 760 N GLY A 50 3.330 0.024 -12.063 1.00 0.00 N ATOM 761 CA GLY A 50 2.940 -1.185 -12.760 1.00 0.00 C ATOM 762 C GLY A 50 3.153 -2.470 -11.981 1.00 0.00 C ATOM 763 O GLY A 50 3.022 -3.550 -12.554 1.00 0.00 O ATOM 0 H GLY A 50 2.555 0.639 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.886 -1.109 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.501 -1.246 -13.693 1.00 0.00 H new ATOM 767 N LYS A 51 3.479 -2.382 -10.688 1.00 0.00 N ATOM 768 CA LYS A 51 3.700 -3.572 -9.881 1.00 0.00 C ATOM 769 C LYS A 51 2.767 -3.606 -8.676 1.00 0.00 C ATOM 770 O LYS A 51 2.484 -2.575 -8.063 1.00 0.00 O ATOM 771 CB LYS A 51 5.150 -3.610 -9.401 1.00 0.00 C ATOM 772 CG LYS A 51 6.129 -4.093 -10.458 1.00 0.00 C ATOM 773 CD LYS A 51 7.444 -3.333 -10.395 1.00 0.00 C ATOM 774 CE LYS A 51 8.467 -3.907 -11.365 1.00 0.00 C ATOM 775 NZ LYS A 51 8.002 -3.837 -12.780 1.00 0.00 N ATOM 0 H LYS A 51 3.594 -1.502 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 51 3.491 -4.443 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.443 -2.611 -9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.218 -4.261 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.317 -5.158 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.686 -3.973 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.270 -2.282 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.840 -3.373 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.406 -3.362 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.672 -4.945 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.774 -4.128 -13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.189 -4.473 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.718 -2.862 -13.004 1.00 0.00 H new ATOM 789 N GLU A 52 2.302 -4.805 -8.344 1.00 0.00 N ATOM 790 CA GLU A 52 1.442 -5.006 -7.185 1.00 0.00 C ATOM 791 C GLU A 52 2.263 -5.697 -6.099 1.00 0.00 C ATOM 792 O GLU A 52 3.095 -6.555 -6.404 1.00 0.00 O ATOM 793 CB GLU A 52 0.206 -5.850 -7.541 1.00 0.00 C ATOM 794 CG GLU A 52 0.520 -7.160 -8.247 1.00 0.00 C ATOM 795 CD GLU A 52 -0.730 -7.939 -8.609 1.00 0.00 C ATOM 796 OE1 GLU A 52 -1.365 -7.605 -9.632 1.00 0.00 O ATOM 797 OE2 GLU A 52 -1.078 -8.883 -7.867 1.00 0.00 O ATOM 0 H GLU A 52 2.508 -5.657 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 52 1.079 -4.041 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.346 -6.068 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.452 -5.258 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.090 -6.953 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.153 -7.773 -7.605 1.00 0.00 H new ATOM 804 N GLY A 53 2.046 -5.329 -4.842 1.00 0.00 N ATOM 805 CA GLY A 53 2.812 -5.941 -3.769 1.00 0.00 C ATOM 806 C GLY A 53 2.299 -5.597 -2.392 1.00 0.00 C ATOM 807 O GLY A 53 1.385 -4.783 -2.240 1.00 0.00 O ATOM 0 H GLY A 53 1.365 -4.629 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.797 -7.024 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.852 -5.626 -3.850 1.00 0.00 H new ATOM 811 N VAL A 54 2.894 -6.231 -1.384 1.00 0.00 N ATOM 812 CA VAL A 54 2.512 -5.991 -0.001 1.00 0.00 C ATOM 813 C VAL A 54 3.472 -5.026 0.670 1.00 0.00 C ATOM 814 O VAL A 54 4.598 -4.809 0.208 1.00 0.00 O ATOM 815 CB VAL A 54 2.420 -7.294 0.820 1.00 0.00 C ATOM 816 CG1 VAL A 54 1.329 -8.189 0.255 1.00 0.00 C ATOM 817 CG2 VAL A 54 3.760 -8.020 0.861 1.00 0.00 C ATOM 0 H VAL A 54 3.642 -6.914 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 54 1.517 -5.546 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 54 2.161 -7.036 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.271 -9.106 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.372 -7.669 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.560 -8.434 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.661 -8.934 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.069 -8.271 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.510 -7.375 1.319 1.00 0.00 H new ATOM 827 N PHE A 55 3.006 -4.463 1.768 1.00 0.00 N ATOM 828 CA PHE A 55 3.772 -3.493 2.528 1.00 0.00 C ATOM 829 C PHE A 55 3.090 -3.202 3.859 1.00 0.00 C ATOM 830 O PHE A 55 1.919 -3.558 4.060 1.00 0.00 O ATOM 831 CB PHE A 55 3.879 -2.196 1.704 1.00 0.00 C ATOM 832 CG PHE A 55 2.532 -1.609 1.379 1.00 0.00 C ATOM 833 CD1 PHE A 55 1.831 -2.038 0.264 1.00 0.00 C ATOM 834 CD2 PHE A 55 1.952 -0.663 2.208 1.00 0.00 C ATOM 835 CE1 PHE A 55 0.577 -1.535 -0.018 1.00 0.00 C ATOM 836 CE2 PHE A 55 0.701 -0.150 1.927 1.00 0.00 C ATOM 837 CZ PHE A 55 0.010 -0.590 0.814 1.00 0.00 C ATOM 0 H PHE A 55 2.086 -4.665 2.159 1.00 0.00 H new ATOM 0 HA PHE A 55 4.766 -3.893 2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.467 -1.464 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.416 -2.401 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.271 -2.775 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.484 -0.323 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.040 -1.880 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.263 0.594 2.576 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.971 -0.196 0.595 1.00 0.00 H new ATOM 847 N PRO A 56 3.796 -2.523 4.773 1.00 0.00 N ATOM 848 CA PRO A 56 3.228 -2.152 6.054 1.00 0.00 C ATOM 849 C PRO A 56 2.083 -1.190 5.855 1.00 0.00 C ATOM 850 O PRO A 56 2.203 -0.188 5.163 1.00 0.00 O ATOM 851 CB PRO A 56 4.385 -1.471 6.812 1.00 0.00 C ATOM 852 CG PRO A 56 5.616 -1.714 5.999 1.00 0.00 C ATOM 853 CD PRO A 56 5.176 -2.045 4.603 1.00 0.00 C ATOM 0 HA PRO A 56 2.830 -3.008 6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.199 -0.403 6.928 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.492 -1.886 7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.257 -0.832 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.199 -2.532 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.219 -1.171 3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.811 -2.809 4.154 1.00 0.00 H new ATOM 861 N ASP A 57 0.969 -1.508 6.523 1.00 0.00 N ATOM 862 CA ASP A 57 -0.265 -0.741 6.398 1.00 0.00 C ATOM 863 C ASP A 57 -0.255 0.407 7.408 1.00 0.00 C ATOM 864 O ASP A 57 -1.106 1.298 7.364 1.00 0.00 O ATOM 865 CB ASP A 57 -1.473 -1.693 6.584 1.00 0.00 C ATOM 866 CG ASP A 57 -2.125 -1.602 7.955 1.00 0.00 C ATOM 867 OD1 ASP A 57 -1.671 -2.311 8.876 1.00 0.00 O ATOM 868 OD2 ASP A 57 -3.094 -0.827 8.105 1.00 0.00 O ATOM 0 H ASP A 57 0.902 -2.301 7.161 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.349 -0.295 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.220 -1.469 5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.144 -2.719 6.417 1.00 0.00 H new ATOM 873 N ASN A 58 0.719 0.369 8.312 1.00 0.00 N ATOM 874 CA ASN A 58 0.922 1.408 9.301 1.00 0.00 C ATOM 875 C ASN A 58 1.876 2.492 8.768 1.00 0.00 C ATOM 876 O ASN A 58 2.180 3.461 9.467 1.00 0.00 O ATOM 877 CB ASN A 58 1.474 0.779 10.576 1.00 0.00 C ATOM 878 CG ASN A 58 0.369 0.367 11.523 1.00 0.00 C ATOM 879 OD1 ASN A 58 -0.057 -0.790 11.537 1.00 0.00 O ATOM 880 ND2 ASN A 58 -0.115 1.317 12.313 1.00 0.00 N ATOM 0 H ASN A 58 1.393 -0.394 8.374 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.031 1.890 9.519 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.077 -0.092 10.320 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.135 1.488 11.075 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.870 1.103 12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.268 2.261 12.268 1.00 0.00 H new ATOM 887 N PHE A 59 2.333 2.312 7.516 1.00 0.00 N ATOM 888 CA PHE A 59 3.236 3.251 6.854 1.00 0.00 C ATOM 889 C PHE A 59 2.462 4.182 5.914 1.00 0.00 C ATOM 890 O PHE A 59 3.064 4.969 5.180 1.00 0.00 O ATOM 891 CB PHE A 59 4.314 2.487 6.072 1.00 0.00 C ATOM 892 CG PHE A 59 5.459 2.019 6.928 1.00 0.00 C ATOM 893 CD1 PHE A 59 5.229 1.265 8.069 1.00 0.00 C ATOM 894 CD2 PHE A 59 6.766 2.334 6.592 1.00 0.00 C ATOM 895 CE1 PHE A 59 6.278 0.834 8.856 1.00 0.00 C ATOM 896 CE2 PHE A 59 7.821 1.907 7.376 1.00 0.00 C ATOM 897 CZ PHE A 59 7.575 1.156 8.510 1.00 0.00 C ATOM 0 H PHE A 59 2.082 1.508 6.940 1.00 0.00 H new ATOM 0 HA PHE A 59 3.717 3.860 7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.857 1.624 5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.701 3.129 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.216 1.012 8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.963 2.920 5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.084 0.246 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.835 2.159 7.103 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.397 0.821 9.125 1.00 0.00 H new ATOM 907 N ALA A 60 1.124 4.077 5.931 1.00 0.00 N ATOM 908 CA ALA A 60 0.272 4.914 5.093 1.00 0.00 C ATOM 909 C ALA A 60 -1.063 5.175 5.786 1.00 0.00 C ATOM 910 O ALA A 60 -1.491 4.402 6.648 1.00 0.00 O ATOM 911 CB ALA A 60 0.056 4.284 3.721 1.00 0.00 C ATOM 0 H ALA A 60 0.615 3.418 6.519 1.00 0.00 H new ATOM 0 HA ALA A 60 0.777 5.868 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.583 4.931 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.017 4.159 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.421 3.311 3.838 1.00 0.00 H new ATOM 917 N VAL A 61 -1.716 6.264 5.389 1.00 0.00 N ATOM 918 CA VAL A 61 -2.998 6.658 5.961 1.00 0.00 C ATOM 919 C VAL A 61 -4.071 6.695 4.880 1.00 0.00 C ATOM 920 O VAL A 61 -3.893 7.334 3.844 1.00 0.00 O ATOM 921 CB VAL A 61 -2.913 8.037 6.664 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.604 9.154 5.673 1.00 0.00 C ATOM 923 CG2 VAL A 61 -4.200 8.323 7.422 1.00 0.00 C ATOM 0 H VAL A 61 -1.372 6.895 4.665 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.264 5.913 6.711 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.090 8.000 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.552 10.106 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.648 8.956 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.391 9.200 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.126 9.294 7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.039 8.330 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.359 7.550 8.174 1.00 0.00 H new ATOM 933 N GLN A 62 -5.180 6.007 5.125 1.00 0.00 N ATOM 934 CA GLN A 62 -6.290 5.988 4.183 1.00 0.00 C ATOM 935 C GLN A 62 -7.065 7.295 4.282 1.00 0.00 C ATOM 936 O GLN A 62 -7.371 7.755 5.385 1.00 0.00 O ATOM 937 CB GLN A 62 -7.219 4.801 4.464 1.00 0.00 C ATOM 938 CG GLN A 62 -8.466 4.786 3.594 1.00 0.00 C ATOM 939 CD GLN A 62 -8.957 3.381 3.308 1.00 0.00 C ATOM 940 OE1 GLN A 62 -8.557 2.765 2.321 1.00 0.00 O ATOM 941 NE2 GLN A 62 -9.823 2.864 4.172 1.00 0.00 N ATOM 0 H GLN A 62 -5.333 5.455 5.969 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.893 5.878 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.667 3.874 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.517 4.824 5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.257 5.350 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.254 5.292 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.128 3.411 4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.183 1.920 4.030 1.00 0.00 H new ATOM 950 N ILE A 63 -7.377 7.899 3.129 1.00 0.00 N ATOM 951 CA ILE A 63 -8.120 9.160 3.109 1.00 0.00 C ATOM 952 C ILE A 63 -9.463 8.996 3.821 1.00 0.00 C ATOM 953 O ILE A 63 -9.882 9.873 4.579 1.00 0.00 O ATOM 954 CB ILE A 63 -8.345 9.685 1.670 1.00 0.00 C ATOM 955 CG1 ILE A 63 -7.014 9.777 0.911 1.00 0.00 C ATOM 956 CG2 ILE A 63 -9.028 11.048 1.705 1.00 0.00 C ATOM 957 CD1 ILE A 63 -5.962 10.617 1.611 1.00 0.00 C ATOM 0 H ILE A 63 -7.129 7.538 2.208 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.515 9.898 3.636 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.991 8.981 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.622 8.771 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.200 10.196 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.180 11.405 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.992 10.959 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.401 11.755 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.051 10.633 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.332 11.635 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.745 10.188 2.589 1.00 0.00 H new ATOM 969 N SER A 64 -10.131 7.863 3.572 1.00 0.00 N ATOM 970 CA SER A 64 -11.426 7.577 4.184 1.00 0.00 C ATOM 971 C SER A 64 -11.802 6.106 4.005 1.00 0.00 C ATOM 972 O SER A 64 -12.117 5.704 2.862 1.00 0.00 O ATOM 973 CB SER A 64 -12.510 8.473 3.580 1.00 0.00 C ATOM 974 OG SER A 64 -13.765 8.233 4.190 1.00 0.00 O ATOM 975 OXT SER A 64 -11.782 5.367 5.011 1.00 0.00 O ATOM 0 H SER A 64 -9.792 7.130 2.949 1.00 0.00 H new ATOM 0 HA SER A 64 -11.349 7.785 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.234 9.520 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.582 8.290 2.508 1.00 0.00 H new ATOM 0 HG SER A 64 -14.441 8.818 3.789 1.00 0.00 H new TER 981 SER A 64