USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 562 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 48 LYS NZ :NH3+ 167:sc= -0.0116 (180deg=-0.185) USER MOD Set 1.2: A 49 SER OG : rot 180:sc= -0.165 USER MOD Set 2.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 58 SER OG : rot 112:sc= 0.0014 USER MOD Single : A 1 ILE N :NH3+ 173:sc= -0.337 (180deg=-0.409) USER MOD Single : A 5 TYR OH : rot -104:sc= 0.0288 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.974 K(o=-0.97,f=-4.1!) USER MOD Single : A 22 THR OG1 : rot 41:sc= 0.718 USER MOD Single : A 27 GLN : amide:sc= 0.18 K(o=0.18,f=-1.4) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -81:sc= 0.281 USER MOD Single : A 52 SER OG : rot 32:sc= 0.00981 USER MOD Single : A 54 GLN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 0.0221 (180deg=-0.146) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 11.526 8.225 -8.115 1.00 0.00 N ATOM 2 CA ILE A 1 11.496 7.937 -6.659 1.00 0.00 C ATOM 3 C ILE A 1 10.152 7.349 -6.242 1.00 0.00 C ATOM 4 O ILE A 1 9.121 7.643 -6.846 1.00 0.00 O ATOM 5 CB ILE A 1 11.762 9.208 -5.831 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.786 10.317 -6.235 1.00 0.00 C ATOM 7 CG2 ILE A 1 13.202 9.664 -6.013 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.868 11.549 -5.358 1.00 0.00 C ATOM 0 H1 ILE A 1 12.403 8.732 -8.351 1.00 0.00 H new ATOM 0 H2 ILE A 1 11.489 7.332 -8.646 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.707 8.814 -8.369 1.00 0.00 H new ATOM 0 HA ILE A 1 12.285 7.211 -6.464 1.00 0.00 H new ATOM 0 HB ILE A 1 11.606 8.981 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 1 10.983 10.603 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 1 9.770 9.925 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 1 13.376 10.563 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 1 13.878 8.876 -5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 1 13.385 9.880 -7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 1 10.148 12.291 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.642 11.277 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 1 11.873 11.967 -5.411 1.00 0.00 H new ATOM 22 N PHE A 2 10.172 6.515 -5.205 1.00 0.00 N ATOM 23 CA PHE A 2 8.954 5.881 -4.710 1.00 0.00 C ATOM 24 C PHE A 2 8.828 6.052 -3.197 1.00 0.00 C ATOM 25 O PHE A 2 9.808 5.915 -2.465 1.00 0.00 O ATOM 26 CB PHE A 2 8.951 4.394 -5.068 1.00 0.00 C ATOM 27 CG PHE A 2 9.573 4.094 -6.404 1.00 0.00 C ATOM 28 CD1 PHE A 2 8.878 4.335 -7.577 1.00 0.00 C ATOM 29 CD2 PHE A 2 10.855 3.573 -6.483 1.00 0.00 C ATOM 30 CE1 PHE A 2 9.449 4.062 -8.806 1.00 0.00 C ATOM 31 CE2 PHE A 2 11.430 3.297 -7.709 1.00 0.00 C ATOM 32 CZ PHE A 2 10.727 3.542 -8.871 1.00 0.00 C ATOM 0 H PHE A 2 11.017 6.263 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 2 8.101 6.366 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.486 3.842 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.923 4.031 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.878 4.741 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE A 2 11.410 3.381 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.897 4.255 -9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 2 12.429 2.890 -7.758 1.00 0.00 H new ATOM 0 HZ PHE A 2 11.175 3.327 -9.830 1.00 0.00 H new ATOM 42 N ASP A 3 7.614 6.347 -2.735 1.00 0.00 N ATOM 43 CA ASP A 3 7.365 6.539 -1.308 1.00 0.00 C ATOM 44 C ASP A 3 6.654 5.332 -0.704 1.00 0.00 C ATOM 45 O ASP A 3 5.461 5.128 -0.926 1.00 0.00 O ATOM 46 CB ASP A 3 6.530 7.801 -1.082 1.00 0.00 C ATOM 47 CG ASP A 3 7.184 9.040 -1.663 1.00 0.00 C ATOM 48 OD1 ASP A 3 6.923 9.349 -2.845 1.00 0.00 O ATOM 49 OD2 ASP A 3 7.956 9.700 -0.937 1.00 0.00 O ATOM 0 H ASP A 3 6.790 6.458 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 3 8.329 6.651 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.546 7.668 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.374 7.943 -0.013 1.00 0.00 H new ATOM 54 N ILE A 4 7.391 4.545 0.073 1.00 0.00 N ATOM 55 CA ILE A 4 6.840 3.360 0.713 1.00 0.00 C ATOM 56 C ILE A 4 6.136 3.706 2.022 1.00 0.00 C ATOM 57 O ILE A 4 6.757 4.186 2.970 1.00 0.00 O ATOM 58 CB ILE A 4 7.945 2.325 0.998 1.00 0.00 C ATOM 59 CG1 ILE A 4 8.707 1.994 -0.287 1.00 0.00 C ATOM 60 CG2 ILE A 4 7.345 1.068 1.604 1.00 0.00 C ATOM 61 CD1 ILE A 4 9.938 1.140 -0.063 1.00 0.00 C ATOM 0 H ILE A 4 8.377 4.710 0.274 1.00 0.00 H new ATOM 0 HA ILE A 4 6.112 2.936 0.021 1.00 0.00 H new ATOM 0 HB ILE A 4 8.648 2.751 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.037 1.476 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.004 2.924 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.137 0.345 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.843 1.319 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.625 0.637 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.426 0.947 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.629 1.664 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.646 0.194 0.393 1.00 0.00 H new ATOM 73 N TYR A 5 4.829 3.459 2.058 1.00 0.00 N ATOM 74 CA TYR A 5 4.020 3.728 3.240 1.00 0.00 C ATOM 75 C TYR A 5 3.834 2.458 4.064 1.00 0.00 C ATOM 76 O TYR A 5 3.405 1.427 3.543 1.00 0.00 O ATOM 77 CB TYR A 5 2.657 4.286 2.831 1.00 0.00 C ATOM 78 CG TYR A 5 2.735 5.610 2.104 1.00 0.00 C ATOM 79 CD1 TYR A 5 2.788 6.807 2.808 1.00 0.00 C ATOM 80 CD2 TYR A 5 2.749 5.662 0.716 1.00 0.00 C ATOM 81 CE1 TYR A 5 2.855 8.020 2.148 1.00 0.00 C ATOM 82 CE2 TYR A 5 2.818 6.871 0.050 1.00 0.00 C ATOM 83 CZ TYR A 5 2.869 8.047 0.770 1.00 0.00 C ATOM 84 OH TYR A 5 2.934 9.251 0.109 1.00 0.00 O ATOM 0 H TYR A 5 4.305 3.070 1.274 1.00 0.00 H new ATOM 0 HA TYR A 5 4.540 4.467 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.154 3.560 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.041 4.407 3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.777 6.789 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.705 4.744 0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.896 8.942 2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.832 6.895 -1.030 1.00 0.00 H new ATOM 0 HH TYR A 5 2.051 9.472 -0.255 1.00 0.00 H new ATOM 94 N VAL A 6 4.159 2.536 5.350 1.00 0.00 N ATOM 95 CA VAL A 6 4.030 1.387 6.240 1.00 0.00 C ATOM 96 C VAL A 6 2.662 1.358 6.915 1.00 0.00 C ATOM 97 O VAL A 6 2.163 2.383 7.382 1.00 0.00 O ATOM 98 CB VAL A 6 5.129 1.389 7.322 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.096 2.684 8.120 1.00 0.00 C ATOM 100 CG2 VAL A 6 4.979 0.183 8.239 1.00 0.00 C ATOM 0 H VAL A 6 4.513 3.381 5.799 1.00 0.00 H new ATOM 0 HA VAL A 6 4.141 0.496 5.622 1.00 0.00 H new ATOM 0 HB VAL A 6 6.098 1.322 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.879 2.664 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.260 3.528 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.125 2.788 8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.763 0.202 8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.004 0.215 8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.062 -0.732 7.653 1.00 0.00 H new ATOM 110 N VAL A 7 2.059 0.174 6.960 1.00 0.00 N ATOM 111 CA VAL A 7 0.752 0.000 7.583 1.00 0.00 C ATOM 112 C VAL A 7 0.898 -0.264 9.078 1.00 0.00 C ATOM 113 O VAL A 7 1.602 -1.187 9.486 1.00 0.00 O ATOM 114 CB VAL A 7 -0.027 -1.162 6.936 1.00 0.00 C ATOM 115 CG1 VAL A 7 -1.413 -1.292 7.549 1.00 0.00 C ATOM 116 CG2 VAL A 7 -0.122 -0.968 5.432 1.00 0.00 C ATOM 0 H VAL A 7 2.456 -0.681 6.571 1.00 0.00 H new ATOM 0 HA VAL A 7 0.195 0.924 7.430 1.00 0.00 H new ATOM 0 HB VAL A 7 0.517 -2.086 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.944 -2.118 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.321 -1.483 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.968 -0.367 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.675 -1.798 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.639 -0.033 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.881 -0.934 5.006 1.00 0.00 H new ATOM 126 N THR A 8 0.229 0.551 9.890 1.00 0.00 N ATOM 127 CA THR A 8 0.295 0.403 11.339 1.00 0.00 C ATOM 128 C THR A 8 -1.083 0.551 11.976 1.00 0.00 C ATOM 129 O THR A 8 -1.198 0.791 13.177 1.00 0.00 O ATOM 130 CB THR A 8 1.249 1.437 11.965 1.00 0.00 C ATOM 131 OG1 THR A 8 0.827 2.764 11.629 1.00 0.00 O ATOM 132 CG2 THR A 8 2.674 1.216 11.483 1.00 0.00 C ATOM 0 H THR A 8 -0.363 1.318 9.569 1.00 0.00 H new ATOM 0 HA THR A 8 0.674 -0.600 11.535 1.00 0.00 H new ATOM 0 HB THR A 8 1.223 1.313 13.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.439 3.414 12.033 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.331 1.957 11.938 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.003 0.217 11.767 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.711 1.315 10.398 1.00 0.00 H new ATOM 140 N ALA A 9 -2.125 0.401 11.166 1.00 0.00 N ATOM 141 CA ALA A 9 -3.493 0.517 11.654 1.00 0.00 C ATOM 142 C ALA A 9 -4.308 -0.726 11.317 1.00 0.00 C ATOM 143 O ALA A 9 -5.523 -0.753 11.512 1.00 0.00 O ATOM 144 CB ALA A 9 -4.156 1.759 11.075 1.00 0.00 C ATOM 0 H ALA A 9 -2.048 0.199 10.169 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.457 0.609 12.740 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.178 1.833 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.595 2.644 11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.171 1.690 9.987 1.00 0.00 H new ATOM 150 N ASP A 10 -3.630 -1.755 10.811 1.00 0.00 N ATOM 151 CA ASP A 10 -4.290 -3.006 10.443 1.00 0.00 C ATOM 152 C ASP A 10 -5.411 -2.752 9.440 1.00 0.00 C ATOM 153 O ASP A 10 -6.558 -2.511 9.821 1.00 0.00 O ATOM 154 CB ASP A 10 -4.848 -3.699 11.690 1.00 0.00 C ATOM 155 CG ASP A 10 -5.537 -5.010 11.366 1.00 0.00 C ATOM 156 OD1 ASP A 10 -4.844 -6.048 11.316 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.769 -4.998 11.163 1.00 0.00 O ATOM 0 H ASP A 10 -2.623 -1.747 10.647 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.551 -3.657 9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.036 -3.883 12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.555 -3.034 12.186 1.00 0.00 H new ATOM 162 N TYR A 11 -5.071 -2.802 8.155 1.00 0.00 N ATOM 163 CA TYR A 11 -6.048 -2.573 7.097 1.00 0.00 C ATOM 164 C TYR A 11 -6.428 -3.885 6.415 1.00 0.00 C ATOM 165 O TYR A 11 -5.762 -4.323 5.476 1.00 0.00 O ATOM 166 CB TYR A 11 -5.489 -1.587 6.068 1.00 0.00 C ATOM 167 CG TYR A 11 -6.504 -1.127 5.045 1.00 0.00 C ATOM 168 CD1 TYR A 11 -6.689 -1.824 3.858 1.00 0.00 C ATOM 169 CD2 TYR A 11 -7.273 0.010 5.265 1.00 0.00 C ATOM 170 CE1 TYR A 11 -7.613 -1.404 2.920 1.00 0.00 C ATOM 171 CE2 TYR A 11 -8.199 0.436 4.332 1.00 0.00 C ATOM 172 CZ TYR A 11 -8.364 -0.274 3.162 1.00 0.00 C ATOM 173 OH TYR A 11 -9.285 0.148 2.231 1.00 0.00 O ATOM 0 H TYR A 11 -4.127 -2.999 7.822 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.946 -2.148 7.546 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.095 -0.716 6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.651 -2.054 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.101 -2.709 3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.145 0.569 6.180 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.746 -1.958 2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.790 1.320 4.518 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.731 0.958 2.556 1.00 0.00 H new ATOM 183 N LEU A 12 -7.494 -4.513 6.903 1.00 0.00 N ATOM 184 CA LEU A 12 -7.965 -5.775 6.341 1.00 0.00 C ATOM 185 C LEU A 12 -9.373 -5.623 5.765 1.00 0.00 C ATOM 186 O LEU A 12 -10.250 -5.049 6.409 1.00 0.00 O ATOM 187 CB LEU A 12 -7.957 -6.876 7.405 1.00 0.00 C ATOM 188 CG LEU A 12 -6.592 -7.515 7.682 1.00 0.00 C ATOM 189 CD1 LEU A 12 -5.646 -6.515 8.328 1.00 0.00 C ATOM 190 CD2 LEU A 12 -6.751 -8.744 8.564 1.00 0.00 C ATOM 0 H LEU A 12 -8.048 -4.168 7.687 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.286 -6.056 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.340 -6.460 8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.650 -7.659 7.098 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.161 -7.823 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.684 -6.992 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.506 -5.664 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.069 -6.171 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.773 -9.186 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.206 -8.456 9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.388 -9.472 8.062 1.00 0.00 H new ATOM 202 N PRO A 13 -9.610 -6.135 4.540 1.00 0.00 N ATOM 203 CA PRO A 13 -10.925 -6.047 3.892 1.00 0.00 C ATOM 204 C PRO A 13 -12.011 -6.754 4.692 1.00 0.00 C ATOM 205 O PRO A 13 -11.816 -7.871 5.169 1.00 0.00 O ATOM 206 CB PRO A 13 -10.720 -6.757 2.549 1.00 0.00 C ATOM 207 CG PRO A 13 -9.247 -6.751 2.326 1.00 0.00 C ATOM 208 CD PRO A 13 -8.628 -6.830 3.690 1.00 0.00 C ATOM 0 HA PRO A 13 -11.256 -5.013 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.110 -7.774 2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.242 -6.238 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.941 -7.595 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.934 -5.846 1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.479 -7.862 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.653 -6.344 3.720 1.00 0.00 H new ATOM 216 N LEU A 14 -13.158 -6.096 4.835 1.00 0.00 N ATOM 217 CA LEU A 14 -14.275 -6.671 5.568 1.00 0.00 C ATOM 218 C LEU A 14 -15.277 -7.315 4.614 1.00 0.00 C ATOM 219 O LEU A 14 -16.136 -6.642 4.046 1.00 0.00 O ATOM 220 CB LEU A 14 -14.957 -5.604 6.431 1.00 0.00 C ATOM 221 CG LEU A 14 -15.015 -4.195 5.826 1.00 0.00 C ATOM 222 CD1 LEU A 14 -16.357 -3.945 5.155 1.00 0.00 C ATOM 223 CD2 LEU A 14 -14.754 -3.150 6.899 1.00 0.00 C ATOM 0 H LEU A 14 -13.335 -5.167 4.453 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.887 -7.449 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.975 -5.931 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.435 -5.548 7.386 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.238 -4.118 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.372 -2.939 4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.507 -4.674 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.155 -4.042 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.798 -2.155 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.510 -3.234 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.767 -3.311 7.331 1.00 0.00 H new ATOM 235 N GLY A 15 -15.150 -8.625 4.436 1.00 0.00 N ATOM 236 CA GLY A 15 -16.047 -9.346 3.551 1.00 0.00 C ATOM 237 C GLY A 15 -15.645 -9.221 2.095 1.00 0.00 C ATOM 238 O GLY A 15 -14.655 -9.813 1.665 1.00 0.00 O ATOM 0 H GLY A 15 -14.441 -9.202 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.062 -10.399 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.061 -8.968 3.679 1.00 0.00 H new ATOM 242 N ALA A 16 -16.413 -8.446 1.337 1.00 0.00 N ATOM 243 CA ALA A 16 -16.135 -8.241 -0.079 1.00 0.00 C ATOM 244 C ALA A 16 -15.971 -6.759 -0.399 1.00 0.00 C ATOM 245 O ALA A 16 -16.955 -6.024 -0.503 1.00 0.00 O ATOM 246 CB ALA A 16 -17.246 -8.845 -0.926 1.00 0.00 C ATOM 0 H ALA A 16 -17.234 -7.949 1.681 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.197 -8.742 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.027 -8.685 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.314 -9.915 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.194 -8.368 -0.676 1.00 0.00 H new ATOM 252 N GLU A 17 -14.724 -6.326 -0.552 1.00 0.00 N ATOM 253 CA GLU A 17 -14.429 -4.931 -0.860 1.00 0.00 C ATOM 254 C GLU A 17 -14.004 -4.780 -2.319 1.00 0.00 C ATOM 255 O GLU A 17 -13.486 -5.718 -2.923 1.00 0.00 O ATOM 256 CB GLU A 17 -13.335 -4.402 0.069 1.00 0.00 C ATOM 257 CG GLU A 17 -13.148 -2.896 -0.003 1.00 0.00 C ATOM 258 CD GLU A 17 -14.386 -2.132 0.426 1.00 0.00 C ATOM 259 OE1 GLU A 17 -14.613 -2.008 1.648 1.00 0.00 O ATOM 260 OE2 GLU A 17 -15.127 -1.657 -0.461 1.00 0.00 O ATOM 0 H GLU A 17 -13.900 -6.922 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.335 -4.345 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.576 -4.681 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.392 -4.889 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.310 -2.607 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.888 -2.615 -1.023 1.00 0.00 H new ATOM 267 N GLN A 18 -14.229 -3.594 -2.878 1.00 0.00 N ATOM 268 CA GLN A 18 -13.875 -3.327 -4.268 1.00 0.00 C ATOM 269 C GLN A 18 -12.442 -2.815 -4.388 1.00 0.00 C ATOM 270 O GLN A 18 -11.988 -2.019 -3.566 1.00 0.00 O ATOM 271 CB GLN A 18 -14.844 -2.309 -4.879 1.00 0.00 C ATOM 272 CG GLN A 18 -16.285 -2.792 -4.936 1.00 0.00 C ATOM 273 CD GLN A 18 -16.937 -2.854 -3.569 1.00 0.00 C ATOM 274 OE1 GLN A 18 -16.611 -2.072 -2.677 1.00 0.00 O ATOM 275 NE2 GLN A 18 -17.864 -3.789 -3.398 1.00 0.00 N ATOM 0 H GLN A 18 -14.654 -2.805 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.948 -4.267 -4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.802 -1.387 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.512 -2.065 -5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.861 -2.127 -5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.314 -3.781 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.103 -4.417 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.337 -3.880 -2.499 1.00 0.00 H new ATOM 284 N ASP A 19 -11.742 -3.282 -5.423 1.00 0.00 N ATOM 285 CA ASP A 19 -10.357 -2.884 -5.686 1.00 0.00 C ATOM 286 C ASP A 19 -9.539 -2.787 -4.399 1.00 0.00 C ATOM 287 O ASP A 19 -8.713 -1.884 -4.246 1.00 0.00 O ATOM 288 CB ASP A 19 -10.319 -1.550 -6.437 1.00 0.00 C ATOM 289 CG ASP A 19 -10.942 -0.414 -5.648 1.00 0.00 C ATOM 290 OD1 ASP A 19 -12.168 -0.209 -5.770 1.00 0.00 O ATOM 291 OD2 ASP A 19 -10.203 0.272 -4.911 1.00 0.00 O ATOM 0 H ASP A 19 -12.117 -3.945 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.907 -3.659 -6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.284 -1.299 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.844 -1.658 -7.386 1.00 0.00 H new ATOM 296 N ALA A 20 -9.762 -3.722 -3.483 1.00 0.00 N ATOM 297 CA ALA A 20 -9.042 -3.736 -2.215 1.00 0.00 C ATOM 298 C ALA A 20 -8.068 -4.907 -2.147 1.00 0.00 C ATOM 299 O ALA A 20 -8.424 -6.044 -2.456 1.00 0.00 O ATOM 300 CB ALA A 20 -10.022 -3.792 -1.054 1.00 0.00 C ATOM 0 H ALA A 20 -10.435 -4.480 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.463 -2.815 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.471 -3.802 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.673 -2.918 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.626 -4.696 -1.131 1.00 0.00 H new ATOM 306 N ILE A 21 -6.835 -4.620 -1.739 1.00 0.00 N ATOM 307 CA ILE A 21 -5.805 -5.644 -1.629 1.00 0.00 C ATOM 308 C ILE A 21 -5.597 -6.057 -0.174 1.00 0.00 C ATOM 309 O ILE A 21 -5.659 -5.226 0.732 1.00 0.00 O ATOM 310 CB ILE A 21 -4.465 -5.158 -2.216 1.00 0.00 C ATOM 311 CG1 ILE A 21 -3.396 -6.249 -2.092 1.00 0.00 C ATOM 312 CG2 ILE A 21 -4.016 -3.880 -1.522 1.00 0.00 C ATOM 313 CD1 ILE A 21 -2.084 -5.896 -2.760 1.00 0.00 C ATOM 0 H ILE A 21 -6.526 -3.683 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.149 -6.506 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.607 -4.942 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.214 -6.448 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.779 -7.171 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.068 -3.549 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.769 -3.105 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.889 -4.070 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.377 -6.716 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.251 -5.726 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.677 -4.991 -2.308 1.00 0.00 H new ATOM 325 N THR A 22 -5.350 -7.345 0.041 1.00 0.00 N ATOM 326 CA THR A 22 -5.133 -7.868 1.383 1.00 0.00 C ATOM 327 C THR A 22 -3.822 -7.355 1.967 1.00 0.00 C ATOM 328 O THR A 22 -2.741 -7.699 1.491 1.00 0.00 O ATOM 329 CB THR A 22 -5.119 -9.407 1.392 1.00 0.00 C ATOM 330 OG1 THR A 22 -4.063 -9.895 0.557 1.00 0.00 O ATOM 331 CG2 THR A 22 -6.451 -9.960 0.907 1.00 0.00 C ATOM 0 H THR A 22 -5.295 -8.046 -0.698 1.00 0.00 H new ATOM 0 HA THR A 22 -5.963 -7.517 1.996 1.00 0.00 H new ATOM 0 HB THR A 22 -4.953 -9.741 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.265 -9.340 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.420 -11.049 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.250 -9.611 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.639 -9.616 -0.110 1.00 0.00 H new ATOM 339 N LEU A 23 -3.928 -6.525 3.001 1.00 0.00 N ATOM 340 CA LEU A 23 -2.753 -5.960 3.653 1.00 0.00 C ATOM 341 C LEU A 23 -2.750 -6.276 5.142 1.00 0.00 C ATOM 342 O LEU A 23 -3.806 -6.390 5.767 1.00 0.00 O ATOM 343 CB LEU A 23 -2.706 -4.445 3.442 1.00 0.00 C ATOM 344 CG LEU A 23 -2.524 -3.994 1.991 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.585 -2.480 1.892 1.00 0.00 C ATOM 346 CD2 LEU A 23 -1.206 -4.511 1.432 1.00 0.00 C ATOM 0 H LEU A 23 -4.817 -6.229 3.405 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.869 -6.411 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.629 -4.012 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.890 -4.037 4.038 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.337 -4.411 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.454 -2.178 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.553 -2.131 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.793 -2.043 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.094 -4.180 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.381 -4.123 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.198 -5.600 1.467 1.00 0.00 H new ATOM 358 N ARG A 24 -1.555 -6.417 5.706 1.00 0.00 N ATOM 359 CA ARG A 24 -1.407 -6.716 7.124 1.00 0.00 C ATOM 360 C ARG A 24 -0.627 -5.612 7.829 1.00 0.00 C ATOM 361 O ARG A 24 0.259 -4.992 7.240 1.00 0.00 O ATOM 362 CB ARG A 24 -0.701 -8.061 7.313 1.00 0.00 C ATOM 363 CG ARG A 24 -1.431 -9.227 6.667 1.00 0.00 C ATOM 364 CD ARG A 24 -0.675 -10.533 6.850 1.00 0.00 C ATOM 365 NE ARG A 24 -1.350 -11.651 6.196 1.00 0.00 N ATOM 366 CZ ARG A 24 -0.829 -12.870 6.088 1.00 0.00 C ATOM 367 NH1 ARG A 24 0.371 -13.129 6.592 1.00 0.00 N ATOM 368 NH2 ARG A 24 -1.507 -13.829 5.475 1.00 0.00 N ATOM 0 H ARG A 24 -0.673 -6.329 5.200 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.402 -6.774 7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.304 -7.996 6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.591 -8.258 8.379 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.427 -9.319 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.564 -9.029 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.331 -10.429 6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.570 -10.745 7.914 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.275 -11.487 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.896 -12.392 7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.768 -14.065 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.429 -13.633 5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.107 -14.764 5.392 1.00 0.00 H new ATOM 382 N GLU A 25 -0.966 -5.369 9.089 1.00 0.00 N ATOM 383 CA GLU A 25 -0.302 -4.336 9.875 1.00 0.00 C ATOM 384 C GLU A 25 1.178 -4.654 10.059 1.00 0.00 C ATOM 385 O GLU A 25 1.543 -5.518 10.857 1.00 0.00 O ATOM 386 CB GLU A 25 -0.984 -4.194 11.236 1.00 0.00 C ATOM 387 CG GLU A 25 -0.381 -3.107 12.110 1.00 0.00 C ATOM 388 CD GLU A 25 -1.106 -2.954 13.432 1.00 0.00 C ATOM 389 OE1 GLU A 25 -0.749 -3.668 14.393 1.00 0.00 O ATOM 390 OE2 GLU A 25 -2.034 -2.120 13.507 1.00 0.00 O ATOM 0 H GLU A 25 -1.698 -5.874 9.589 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.381 -3.392 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.042 -3.979 11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.925 -5.146 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.667 -3.338 12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.407 -2.158 11.574 1.00 0.00 H new ATOM 397 N GLY A 26 2.024 -3.951 9.313 1.00 0.00 N ATOM 398 CA GLY A 26 3.457 -4.168 9.405 1.00 0.00 C ATOM 399 C GLY A 26 4.088 -4.442 8.054 1.00 0.00 C ATOM 400 O GLY A 26 5.207 -4.951 7.976 1.00 0.00 O ATOM 0 H GLY A 26 1.742 -3.233 8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.927 -3.291 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.652 -5.008 10.071 1.00 0.00 H new ATOM 404 N GLN A 27 3.368 -4.105 6.988 1.00 0.00 N ATOM 405 CA GLN A 27 3.849 -4.314 5.635 1.00 0.00 C ATOM 406 C GLN A 27 4.377 -3.016 5.030 1.00 0.00 C ATOM 407 O GLN A 27 4.165 -1.933 5.576 1.00 0.00 O ATOM 408 CB GLN A 27 2.713 -4.861 4.778 1.00 0.00 C ATOM 409 CG GLN A 27 2.911 -6.306 4.359 1.00 0.00 C ATOM 410 CD GLN A 27 1.781 -6.822 3.490 1.00 0.00 C ATOM 411 OE1 GLN A 27 0.794 -7.364 3.989 1.00 0.00 O ATOM 412 NE2 GLN A 27 1.919 -6.655 2.179 1.00 0.00 N ATOM 0 H GLN A 27 2.441 -3.682 7.041 1.00 0.00 H new ATOM 0 HA GLN A 27 4.671 -5.029 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.778 -4.777 5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.612 -4.243 3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.852 -6.397 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.994 -6.930 5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.753 -6.201 1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.191 -6.981 1.544 1.00 0.00 H new ATOM 421 N TYR A 28 5.064 -3.135 3.898 1.00 0.00 N ATOM 422 CA TYR A 28 5.624 -1.975 3.212 1.00 0.00 C ATOM 423 C TYR A 28 5.256 -1.990 1.731 1.00 0.00 C ATOM 424 O TYR A 28 5.286 -3.038 1.086 1.00 0.00 O ATOM 425 CB TYR A 28 7.145 -1.951 3.364 1.00 0.00 C ATOM 426 CG TYR A 28 7.618 -2.110 4.791 1.00 0.00 C ATOM 427 CD1 TYR A 28 7.688 -1.016 5.644 1.00 0.00 C ATOM 428 CD2 TYR A 28 7.994 -3.352 5.283 1.00 0.00 C ATOM 429 CE1 TYR A 28 8.121 -1.156 6.948 1.00 0.00 C ATOM 430 CE2 TYR A 28 8.427 -3.501 6.587 1.00 0.00 C ATOM 431 CZ TYR A 28 8.489 -2.400 7.415 1.00 0.00 C ATOM 432 OH TYR A 28 8.920 -2.544 8.714 1.00 0.00 O ATOM 0 H TYR A 28 5.247 -4.025 3.435 1.00 0.00 H new ATOM 0 HA TYR A 28 5.204 -1.078 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.574 -2.749 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.526 -1.010 2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.399 -0.040 5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.947 -4.216 4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.171 -0.295 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.715 -4.474 6.956 1.00 0.00 H new ATOM 0 HH TYR A 28 9.140 -3.484 8.884 1.00 0.00 H new ATOM 442 N VAL A 29 4.911 -0.822 1.194 1.00 0.00 N ATOM 443 CA VAL A 29 4.537 -0.716 -0.212 1.00 0.00 C ATOM 444 C VAL A 29 4.676 0.716 -0.737 1.00 0.00 C ATOM 445 O VAL A 29 4.082 1.648 -0.197 1.00 0.00 O ATOM 446 CB VAL A 29 3.090 -1.200 -0.433 1.00 0.00 C ATOM 447 CG1 VAL A 29 2.139 -0.505 0.530 1.00 0.00 C ATOM 448 CG2 VAL A 29 2.660 -0.970 -1.873 1.00 0.00 C ATOM 0 H VAL A 29 4.883 0.058 1.708 1.00 0.00 H new ATOM 0 HA VAL A 29 5.225 -1.354 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 29 3.054 -2.271 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.123 -0.860 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.433 -0.728 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.179 0.572 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.636 -1.319 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.714 0.094 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.321 -1.520 -2.542 1.00 0.00 H new ATOM 458 N GLU A 30 5.462 0.874 -1.800 1.00 0.00 N ATOM 459 CA GLU A 30 5.677 2.177 -2.423 1.00 0.00 C ATOM 460 C GLU A 30 4.457 2.613 -3.230 1.00 0.00 C ATOM 461 O GLU A 30 3.680 1.783 -3.703 1.00 0.00 O ATOM 462 CB GLU A 30 6.904 2.126 -3.332 1.00 0.00 C ATOM 463 CG GLU A 30 6.798 1.088 -4.438 1.00 0.00 C ATOM 464 CD GLU A 30 8.013 1.072 -5.342 1.00 0.00 C ATOM 465 OE1 GLU A 30 9.078 0.593 -4.898 1.00 0.00 O ATOM 466 OE2 GLU A 30 7.901 1.535 -6.496 1.00 0.00 O ATOM 0 H GLU A 30 5.964 0.109 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 30 5.840 2.906 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.055 3.108 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.785 1.912 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.668 0.101 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.908 1.289 -5.035 1.00 0.00 H new ATOM 473 N VAL A 31 4.298 3.925 -3.382 1.00 0.00 N ATOM 474 CA VAL A 31 3.179 4.485 -4.127 1.00 0.00 C ATOM 475 C VAL A 31 3.550 4.708 -5.590 1.00 0.00 C ATOM 476 O VAL A 31 4.691 5.048 -5.907 1.00 0.00 O ATOM 477 CB VAL A 31 2.700 5.812 -3.510 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.778 6.880 -3.619 1.00 0.00 C ATOM 479 CG2 VAL A 31 1.410 6.272 -4.169 1.00 0.00 C ATOM 0 H VAL A 31 4.935 4.622 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 31 2.366 3.761 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 31 2.500 5.645 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.417 7.808 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.672 6.550 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.019 7.048 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.087 7.211 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.579 6.419 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.638 5.516 -4.024 1.00 0.00 H new ATOM 489 N LEU A 32 2.580 4.508 -6.477 1.00 0.00 N ATOM 490 CA LEU A 32 2.802 4.671 -7.911 1.00 0.00 C ATOM 491 C LEU A 32 2.106 5.918 -8.454 1.00 0.00 C ATOM 492 O LEU A 32 2.738 6.953 -8.665 1.00 0.00 O ATOM 493 CB LEU A 32 2.297 3.436 -8.659 1.00 0.00 C ATOM 494 CG LEU A 32 2.870 2.103 -8.180 1.00 0.00 C ATOM 495 CD1 LEU A 32 2.138 0.947 -8.840 1.00 0.00 C ATOM 496 CD2 LEU A 32 4.362 2.025 -8.468 1.00 0.00 C ATOM 0 H LEU A 32 1.630 4.232 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 32 3.874 4.789 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.211 3.398 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.529 3.553 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 32 2.728 2.034 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.557 0.004 -8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.080 0.992 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.252 1.015 -9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.750 1.068 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.531 2.116 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.875 2.835 -7.950 1.00 0.00 H new ATOM 508 N ASP A 33 0.799 5.807 -8.679 1.00 0.00 N ATOM 509 CA ASP A 33 0.011 6.913 -9.218 1.00 0.00 C ATOM 510 C ASP A 33 -0.032 8.100 -8.261 1.00 0.00 C ATOM 511 O ASP A 33 0.593 9.130 -8.511 1.00 0.00 O ATOM 512 CB ASP A 33 -1.412 6.443 -9.527 1.00 0.00 C ATOM 513 CG ASP A 33 -2.248 7.524 -10.185 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.239 7.605 -11.432 1.00 0.00 O ATOM 515 OD2 ASP A 33 -2.913 8.289 -9.454 1.00 0.00 O ATOM 0 H ASP A 33 0.262 4.960 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 33 0.495 7.244 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.370 5.572 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.895 6.125 -8.603 1.00 0.00 H new ATOM 520 N ALA A 34 -0.780 7.949 -7.170 1.00 0.00 N ATOM 521 CA ALA A 34 -0.921 9.010 -6.177 1.00 0.00 C ATOM 522 C ALA A 34 -1.595 10.237 -6.783 1.00 0.00 C ATOM 523 O ALA A 34 -0.933 11.100 -7.358 1.00 0.00 O ATOM 524 CB ALA A 34 0.432 9.386 -5.589 1.00 0.00 C ATOM 0 H ALA A 34 -1.299 7.099 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.553 8.632 -5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.301 10.178 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.875 8.514 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.090 9.736 -6.385 1.00 0.00 H new ATOM 530 N ALA A 35 -2.918 10.303 -6.655 1.00 0.00 N ATOM 531 CA ALA A 35 -3.681 11.423 -7.193 1.00 0.00 C ATOM 532 C ALA A 35 -4.942 11.678 -6.375 1.00 0.00 C ATOM 533 O ALA A 35 -5.019 12.652 -5.626 1.00 0.00 O ATOM 534 CB ALA A 35 -4.038 11.166 -8.648 1.00 0.00 C ATOM 0 H ALA A 35 -3.482 9.595 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.057 12.315 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.608 12.010 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.125 11.045 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.638 10.259 -8.721 1.00 0.00 H new ATOM 540 N HIS A 36 -5.926 10.796 -6.521 1.00 0.00 N ATOM 541 CA HIS A 36 -7.186 10.930 -5.798 1.00 0.00 C ATOM 542 C HIS A 36 -6.952 10.860 -4.286 1.00 0.00 C ATOM 543 O HIS A 36 -6.508 9.833 -3.773 1.00 0.00 O ATOM 544 CB HIS A 36 -8.161 9.833 -6.230 1.00 0.00 C ATOM 545 CG HIS A 36 -9.595 10.153 -5.935 1.00 0.00 C ATOM 546 ND1 HIS A 36 -10.491 9.222 -5.455 1.00 0.00 N ATOM 547 CD2 HIS A 36 -10.290 11.308 -6.067 1.00 0.00 C ATOM 548 CE1 HIS A 36 -11.675 9.790 -5.304 1.00 0.00 C ATOM 549 NE2 HIS A 36 -11.579 11.054 -5.668 1.00 0.00 N ATOM 0 H HIS A 36 -5.875 9.981 -7.133 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.617 11.902 -6.036 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.049 9.660 -7.300 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.894 8.903 -5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.903 12.252 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.569 9.302 -4.944 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -12.340 11.733 -5.655 1.00 0.00 H new ATOM 558 N PRO A 37 -7.247 11.952 -3.551 1.00 0.00 N ATOM 559 CA PRO A 37 -7.057 12.007 -2.093 1.00 0.00 C ATOM 560 C PRO A 37 -7.673 10.813 -1.368 1.00 0.00 C ATOM 561 O PRO A 37 -7.216 10.427 -0.292 1.00 0.00 O ATOM 562 CB PRO A 37 -7.780 13.296 -1.707 1.00 0.00 C ATOM 563 CG PRO A 37 -7.648 14.152 -2.899 1.00 0.00 C ATOM 564 CD PRO A 37 -7.793 13.225 -4.071 1.00 0.00 C ATOM 0 HA PRO A 37 -6.003 11.981 -1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.826 13.109 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.327 13.760 -0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.414 14.927 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.683 14.658 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.833 13.123 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.236 13.580 -4.939 1.00 0.00 H new ATOM 572 N LEU A 38 -8.709 10.233 -1.965 1.00 0.00 N ATOM 573 CA LEU A 38 -9.391 9.087 -1.374 1.00 0.00 C ATOM 574 C LEU A 38 -8.444 7.902 -1.214 1.00 0.00 C ATOM 575 O LEU A 38 -8.188 7.445 -0.099 1.00 0.00 O ATOM 576 CB LEU A 38 -10.589 8.682 -2.235 1.00 0.00 C ATOM 577 CG LEU A 38 -11.429 7.528 -1.682 1.00 0.00 C ATOM 578 CD1 LEU A 38 -12.155 7.951 -0.416 1.00 0.00 C ATOM 579 CD2 LEU A 38 -12.418 7.042 -2.731 1.00 0.00 C ATOM 0 H LEU A 38 -9.095 10.538 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.741 9.380 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.234 9.551 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.227 8.405 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.760 6.705 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.746 7.116 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.427 8.250 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.813 8.791 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.008 6.221 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.081 7.860 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.875 6.696 -3.610 1.00 0.00 H new ATOM 591 N ARG A 39 -7.927 7.406 -2.334 1.00 0.00 N ATOM 592 CA ARG A 39 -7.012 6.268 -2.317 1.00 0.00 C ATOM 593 C ARG A 39 -5.962 6.394 -3.419 1.00 0.00 C ATOM 594 O ARG A 39 -6.198 7.037 -4.441 1.00 0.00 O ATOM 595 CB ARG A 39 -7.793 4.965 -2.486 1.00 0.00 C ATOM 596 CG ARG A 39 -8.679 4.947 -3.722 1.00 0.00 C ATOM 597 CD ARG A 39 -9.657 3.784 -3.691 1.00 0.00 C ATOM 598 NE ARG A 39 -10.544 3.845 -2.533 1.00 0.00 N ATOM 599 CZ ARG A 39 -11.546 2.996 -2.326 1.00 0.00 C ATOM 600 NH1 ARG A 39 -11.796 2.033 -3.203 1.00 0.00 N ATOM 601 NH2 ARG A 39 -12.301 3.113 -1.243 1.00 0.00 N ATOM 0 H ARG A 39 -8.125 7.773 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.499 6.257 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.090 4.133 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.411 4.803 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.230 5.885 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.058 4.877 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.252 3.787 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.103 2.845 -3.674 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.386 4.580 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.219 1.942 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.565 1.383 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.113 3.854 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.070 2.462 -1.084 1.00 0.00 H new ATOM 615 N TRP A 40 -4.804 5.775 -3.203 1.00 0.00 N ATOM 616 CA TRP A 40 -3.721 5.824 -4.180 1.00 0.00 C ATOM 617 C TRP A 40 -3.337 4.424 -4.653 1.00 0.00 C ATOM 618 O TRP A 40 -3.456 3.451 -3.907 1.00 0.00 O ATOM 619 CB TRP A 40 -2.494 6.519 -3.583 1.00 0.00 C ATOM 620 CG TRP A 40 -2.737 7.946 -3.190 1.00 0.00 C ATOM 621 CD1 TRP A 40 -3.642 8.811 -3.740 1.00 0.00 C ATOM 622 CD2 TRP A 40 -2.055 8.680 -2.166 1.00 0.00 C ATOM 623 NE1 TRP A 40 -3.566 10.032 -3.117 1.00 0.00 N ATOM 624 CE2 TRP A 40 -2.599 9.977 -2.148 1.00 0.00 C ATOM 625 CE3 TRP A 40 -1.037 8.363 -1.260 1.00 0.00 C ATOM 626 CZ2 TRP A 40 -2.160 10.957 -1.261 1.00 0.00 C ATOM 627 CZ3 TRP A 40 -0.602 9.337 -0.381 1.00 0.00 C ATOM 628 CH2 TRP A 40 -1.163 10.620 -0.387 1.00 0.00 C ATOM 0 H TRP A 40 -4.592 5.236 -2.363 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.077 6.393 -5.039 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.163 5.962 -2.706 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.681 6.485 -4.308 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.318 8.569 -4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.137 10.848 -3.339 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.599 7.376 -1.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.591 11.947 -1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.184 9.105 0.322 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.801 11.359 0.313 1.00 0.00 H new ATOM 639 N LEU A 41 -2.879 4.334 -5.898 1.00 0.00 N ATOM 640 CA LEU A 41 -2.466 3.059 -6.476 1.00 0.00 C ATOM 641 C LEU A 41 -1.055 2.703 -6.022 1.00 0.00 C ATOM 642 O LEU A 41 -0.104 3.432 -6.299 1.00 0.00 O ATOM 643 CB LEU A 41 -2.524 3.124 -8.005 1.00 0.00 C ATOM 644 CG LEU A 41 -1.876 1.946 -8.739 1.00 0.00 C ATOM 645 CD1 LEU A 41 -2.557 0.636 -8.367 1.00 0.00 C ATOM 646 CD2 LEU A 41 -1.929 2.165 -10.243 1.00 0.00 C ATOM 0 H LEU A 41 -2.784 5.131 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.152 2.285 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.569 3.189 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.039 4.044 -8.331 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.832 1.885 -8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.080 -0.186 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.468 0.472 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.611 0.683 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.465 1.319 -10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.968 2.253 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.393 3.079 -10.497 1.00 0.00 H new ATOM 658 N VAL A 42 -0.924 1.578 -5.326 1.00 0.00 N ATOM 659 CA VAL A 42 0.375 1.139 -4.829 1.00 0.00 C ATOM 660 C VAL A 42 0.593 -0.352 -5.072 1.00 0.00 C ATOM 661 O VAL A 42 -0.340 -1.148 -4.976 1.00 0.00 O ATOM 662 CB VAL A 42 0.519 1.432 -3.319 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.182 2.884 -3.020 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.361 0.498 -2.499 1.00 0.00 C ATOM 0 H VAL A 42 -1.698 0.956 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 42 1.130 1.700 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 42 1.557 1.255 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.290 3.070 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.859 3.536 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.845 3.089 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.242 0.724 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.404 0.636 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.068 -0.535 -2.685 1.00 0.00 H new ATOM 674 N ARG A 43 1.829 -0.724 -5.394 1.00 0.00 N ATOM 675 CA ARG A 43 2.166 -2.123 -5.637 1.00 0.00 C ATOM 676 C ARG A 43 3.210 -2.597 -4.627 1.00 0.00 C ATOM 677 O ARG A 43 4.268 -1.985 -4.479 1.00 0.00 O ATOM 678 CB ARG A 43 2.673 -2.325 -7.073 1.00 0.00 C ATOM 679 CG ARG A 43 4.032 -1.699 -7.349 1.00 0.00 C ATOM 680 CD ARG A 43 4.601 -2.161 -8.683 1.00 0.00 C ATOM 681 NE ARG A 43 3.709 -1.860 -9.801 1.00 0.00 N ATOM 682 CZ ARG A 43 4.128 -1.702 -11.055 1.00 0.00 C ATOM 683 NH1 ARG A 43 5.415 -1.835 -11.349 1.00 0.00 N ATOM 684 NH2 ARG A 43 3.259 -1.420 -12.015 1.00 0.00 N ATOM 0 H ARG A 43 2.612 -0.078 -5.492 1.00 0.00 H new ATOM 0 HA ARG A 43 1.262 -2.720 -5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.729 -3.394 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.944 -1.904 -7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.940 -0.613 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.723 -1.960 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.565 -1.680 -8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.783 -3.235 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 43 2.711 -1.766 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.086 -2.059 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.734 -1.714 -12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.268 -1.324 -11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.581 -1.299 -12.975 1.00 0.00 H new ATOM 698 N THR A 44 2.903 -3.681 -3.921 1.00 0.00 N ATOM 699 CA THR A 44 3.818 -4.219 -2.921 1.00 0.00 C ATOM 700 C THR A 44 5.076 -4.779 -3.573 1.00 0.00 C ATOM 701 O THR A 44 5.005 -5.488 -4.576 1.00 0.00 O ATOM 702 CB THR A 44 3.157 -5.323 -2.078 1.00 0.00 C ATOM 703 OG1 THR A 44 2.849 -6.454 -2.903 1.00 0.00 O ATOM 704 CG2 THR A 44 1.887 -4.813 -1.415 1.00 0.00 C ATOM 0 H THR A 44 2.032 -4.202 -4.022 1.00 0.00 H new ATOM 0 HA THR A 44 4.086 -3.390 -2.266 1.00 0.00 H new ATOM 0 HB THR A 44 3.859 -5.622 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.430 -7.152 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.439 -5.612 -0.825 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.129 -3.973 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.182 -4.488 -2.180 1.00 0.00 H new ATOM 712 N LYS A 45 6.228 -4.453 -2.994 1.00 0.00 N ATOM 713 CA LYS A 45 7.505 -4.925 -3.518 1.00 0.00 C ATOM 714 C LYS A 45 7.588 -6.451 -3.450 1.00 0.00 C ATOM 715 O LYS A 45 7.144 -7.058 -2.476 1.00 0.00 O ATOM 716 CB LYS A 45 8.660 -4.298 -2.735 1.00 0.00 C ATOM 717 CG LYS A 45 8.725 -2.783 -2.863 1.00 0.00 C ATOM 718 CD LYS A 45 9.849 -2.193 -2.026 1.00 0.00 C ATOM 719 CE LYS A 45 11.217 -2.635 -2.526 1.00 0.00 C ATOM 720 NZ LYS A 45 12.322 -1.988 -1.769 1.00 0.00 N ATOM 0 H LYS A 45 6.303 -3.865 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 45 7.580 -4.624 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.561 -4.562 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.600 -4.725 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.870 -2.513 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.774 -2.351 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.787 -1.105 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.726 -2.497 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.303 -3.718 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.312 -2.393 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.236 -2.316 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.256 -0.955 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.247 -2.240 -0.763 1.00 0.00 H new ATOM 734 N PRO A 46 8.157 -7.092 -4.490 1.00 0.00 N ATOM 735 CA PRO A 46 8.290 -8.542 -4.544 1.00 0.00 C ATOM 736 C PRO A 46 9.586 -9.032 -3.907 1.00 0.00 C ATOM 737 O PRO A 46 10.680 -8.674 -4.346 1.00 0.00 O ATOM 738 CB PRO A 46 8.285 -8.826 -6.044 1.00 0.00 C ATOM 739 CG PRO A 46 8.831 -7.591 -6.692 1.00 0.00 C ATOM 740 CD PRO A 46 8.716 -6.459 -5.697 1.00 0.00 C ATOM 0 HA PRO A 46 7.500 -9.052 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.898 -9.696 -6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.277 -9.041 -6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.871 -7.740 -6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.276 -7.359 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.687 -6.006 -5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.066 -5.667 -6.069 1.00 0.00 H new ATOM 748 N THR A 47 9.455 -9.855 -2.871 1.00 0.00 N ATOM 749 CA THR A 47 10.614 -10.397 -2.173 1.00 0.00 C ATOM 750 C THR A 47 11.000 -11.760 -2.736 1.00 0.00 C ATOM 751 O THR A 47 10.139 -12.602 -2.989 1.00 0.00 O ATOM 752 CB THR A 47 10.351 -10.532 -0.660 1.00 0.00 C ATOM 753 OG1 THR A 47 11.491 -11.107 -0.011 1.00 0.00 O ATOM 754 CG2 THR A 47 9.125 -11.394 -0.395 1.00 0.00 C ATOM 0 H THR A 47 8.557 -10.161 -2.497 1.00 0.00 H new ATOM 0 HA THR A 47 11.434 -9.695 -2.326 1.00 0.00 H new ATOM 0 HB THR A 47 10.169 -9.535 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.315 -11.187 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.961 -11.473 0.680 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.252 -10.938 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.282 -12.389 -0.812 1.00 0.00 H new ATOM 762 N LYS A 48 12.301 -11.965 -2.931 1.00 0.00 N ATOM 763 CA LYS A 48 12.817 -13.222 -3.468 1.00 0.00 C ATOM 764 C LYS A 48 12.297 -13.471 -4.883 1.00 0.00 C ATOM 765 O LYS A 48 12.987 -13.195 -5.863 1.00 0.00 O ATOM 766 CB LYS A 48 12.437 -14.393 -2.556 1.00 0.00 C ATOM 767 CG LYS A 48 13.032 -15.724 -2.993 1.00 0.00 C ATOM 768 CD LYS A 48 14.544 -15.734 -2.838 1.00 0.00 C ATOM 769 CE LYS A 48 15.141 -17.063 -3.275 1.00 0.00 C ATOM 770 NZ LYS A 48 14.885 -17.341 -4.715 1.00 0.00 N ATOM 0 H LYS A 48 13.021 -11.272 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 48 13.903 -13.145 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.766 -14.173 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.351 -14.482 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.599 -16.530 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.770 -15.917 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.977 -14.928 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.805 -15.541 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.216 -17.056 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.720 -17.866 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.484 -18.132 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.884 -17.591 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.108 -16.495 -5.277 1.00 0.00 H new ATOM 784 N SER A 49 11.076 -13.989 -4.979 1.00 0.00 N ATOM 785 CA SER A 49 10.465 -14.279 -6.271 1.00 0.00 C ATOM 786 C SER A 49 8.943 -14.299 -6.162 1.00 0.00 C ATOM 787 O SER A 49 8.262 -14.963 -6.944 1.00 0.00 O ATOM 788 CB SER A 49 10.965 -15.624 -6.799 1.00 0.00 C ATOM 789 OG SER A 49 12.373 -15.617 -6.962 1.00 0.00 O ATOM 0 H SER A 49 10.490 -14.217 -4.176 1.00 0.00 H new ATOM 0 HA SER A 49 10.751 -13.490 -6.967 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.680 -16.418 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.486 -15.844 -7.753 1.00 0.00 H new ATOM 0 HG SER A 49 12.668 -16.489 -7.299 1.00 0.00 H new ATOM 795 N SER A 50 8.414 -13.559 -5.192 1.00 0.00 N ATOM 796 CA SER A 50 6.974 -13.491 -4.976 1.00 0.00 C ATOM 797 C SER A 50 6.321 -12.517 -5.953 1.00 0.00 C ATOM 798 O SER A 50 6.808 -11.404 -6.147 1.00 0.00 O ATOM 799 CB SER A 50 6.676 -13.064 -3.539 1.00 0.00 C ATOM 800 OG SER A 50 7.253 -11.801 -3.252 1.00 0.00 O ATOM 0 H SER A 50 8.963 -12.997 -4.542 1.00 0.00 H new ATOM 0 HA SER A 50 6.558 -14.483 -5.149 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.598 -13.018 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.064 -13.811 -2.846 1.00 0.00 H new ATOM 0 HG SER A 50 8.203 -11.916 -3.041 1.00 0.00 H new ATOM 806 N PRO A 51 5.204 -12.928 -6.581 1.00 0.00 N ATOM 807 CA PRO A 51 4.475 -12.090 -7.541 1.00 0.00 C ATOM 808 C PRO A 51 4.094 -10.735 -6.951 1.00 0.00 C ATOM 809 O PRO A 51 3.690 -10.643 -5.792 1.00 0.00 O ATOM 810 CB PRO A 51 3.216 -12.912 -7.859 1.00 0.00 C ATOM 811 CG PRO A 51 3.141 -13.940 -6.781 1.00 0.00 C ATOM 812 CD PRO A 51 4.558 -14.237 -6.410 1.00 0.00 C ATOM 0 HA PRO A 51 5.078 -11.860 -8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.326 -12.283 -7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.286 -13.376 -8.843 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.581 -13.568 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.631 -14.838 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.643 -14.602 -5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.998 -14.996 -7.057 1.00 0.00 H new ATOM 820 N SER A 52 4.227 -9.686 -7.757 1.00 0.00 N ATOM 821 CA SER A 52 3.898 -8.334 -7.314 1.00 0.00 C ATOM 822 C SER A 52 2.461 -7.972 -7.676 1.00 0.00 C ATOM 823 O SER A 52 2.020 -8.191 -8.805 1.00 0.00 O ATOM 824 CB SER A 52 4.864 -7.323 -7.935 1.00 0.00 C ATOM 825 OG SER A 52 4.802 -7.360 -9.350 1.00 0.00 O ATOM 0 H SER A 52 4.560 -9.745 -8.719 1.00 0.00 H new ATOM 0 HA SER A 52 3.996 -8.302 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.621 -6.320 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.881 -7.538 -7.607 1.00 0.00 H new ATOM 0 HG SER A 52 3.892 -7.589 -9.632 1.00 0.00 H new ATOM 831 N ARG A 53 1.737 -7.418 -6.709 1.00 0.00 N ATOM 832 CA ARG A 53 0.348 -7.024 -6.919 1.00 0.00 C ATOM 833 C ARG A 53 0.135 -5.561 -6.539 1.00 0.00 C ATOM 834 O ARG A 53 0.891 -5.000 -5.746 1.00 0.00 O ATOM 835 CB ARG A 53 -0.582 -7.919 -6.099 1.00 0.00 C ATOM 836 CG ARG A 53 -0.578 -9.372 -6.545 1.00 0.00 C ATOM 837 CD ARG A 53 -1.927 -9.786 -7.113 1.00 0.00 C ATOM 838 NE ARG A 53 -2.366 -8.899 -8.187 1.00 0.00 N ATOM 839 CZ ARG A 53 -3.421 -9.141 -8.959 1.00 0.00 C ATOM 840 NH1 ARG A 53 -4.132 -10.248 -8.790 1.00 0.00 N ATOM 841 NH2 ARG A 53 -3.762 -8.276 -9.904 1.00 0.00 N ATOM 0 H ARG A 53 2.090 -7.231 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 53 0.115 -7.141 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.289 -7.869 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.598 -7.530 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.196 -9.520 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.326 -10.012 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.863 -10.807 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.671 -9.786 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.833 -8.046 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.870 -10.917 -8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.941 -10.430 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.215 -7.426 -10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.571 -8.461 -10.497 1.00 0.00 H new ATOM 855 N GLN A 54 -0.900 -4.950 -7.108 1.00 0.00 N ATOM 856 CA GLN A 54 -1.210 -3.551 -6.829 1.00 0.00 C ATOM 857 C GLN A 54 -2.667 -3.380 -6.408 1.00 0.00 C ATOM 858 O GLN A 54 -3.581 -3.850 -7.087 1.00 0.00 O ATOM 859 CB GLN A 54 -0.916 -2.684 -8.056 1.00 0.00 C ATOM 860 CG GLN A 54 -1.543 -3.209 -9.337 1.00 0.00 C ATOM 861 CD GLN A 54 -1.336 -2.276 -10.514 1.00 0.00 C ATOM 862 OE1 GLN A 54 -2.157 -1.396 -10.777 1.00 0.00 O ATOM 863 NE2 GLN A 54 -0.233 -2.461 -11.228 1.00 0.00 N ATOM 0 H GLN A 54 -1.538 -5.401 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.576 -3.228 -6.003 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.279 -1.673 -7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.163 -2.615 -8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.117 -4.184 -9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.611 -3.357 -9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.420 -3.202 -10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.038 -1.862 -12.030 1.00 0.00 H new ATOM 872 N GLY A 55 -2.872 -2.702 -5.283 1.00 0.00 N ATOM 873 CA GLY A 55 -4.214 -2.468 -4.785 1.00 0.00 C ATOM 874 C GLY A 55 -4.376 -1.077 -4.204 1.00 0.00 C ATOM 875 O GLY A 55 -3.443 -0.534 -3.612 1.00 0.00 O ATOM 0 H GLY A 55 -2.129 -2.309 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.930 -2.607 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.450 -3.209 -4.021 1.00 0.00 H new ATOM 879 N TRP A 56 -5.559 -0.499 -4.376 1.00 0.00 N ATOM 880 CA TRP A 56 -5.838 0.839 -3.866 1.00 0.00 C ATOM 881 C TRP A 56 -6.041 0.811 -2.354 1.00 0.00 C ATOM 882 O TRP A 56 -6.961 0.164 -1.854 1.00 0.00 O ATOM 883 CB TRP A 56 -7.074 1.422 -4.552 1.00 0.00 C ATOM 884 CG TRP A 56 -6.958 1.464 -6.046 1.00 0.00 C ATOM 885 CD1 TRP A 56 -7.163 0.430 -6.913 1.00 0.00 C ATOM 886 CD2 TRP A 56 -6.609 2.598 -6.848 1.00 0.00 C ATOM 887 NE1 TRP A 56 -6.964 0.852 -8.206 1.00 0.00 N ATOM 888 CE2 TRP A 56 -6.623 2.178 -8.192 1.00 0.00 C ATOM 889 CE3 TRP A 56 -6.288 3.928 -6.562 1.00 0.00 C ATOM 890 CZ2 TRP A 56 -6.328 3.040 -9.246 1.00 0.00 C ATOM 891 CZ3 TRP A 56 -5.994 4.782 -7.608 1.00 0.00 C ATOM 892 CH2 TRP A 56 -6.017 4.336 -8.936 1.00 0.00 C ATOM 0 H TRP A 56 -6.341 -0.936 -4.865 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.979 1.473 -4.087 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -7.947 0.829 -4.279 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.246 2.432 -4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.441 -0.573 -6.625 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.055 0.272 -9.040 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.270 4.282 -5.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.344 2.698 -10.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.742 5.811 -7.398 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.785 5.029 -9.731 1.00 0.00 H new ATOM 903 N VAL A 57 -5.176 1.519 -1.632 1.00 0.00 N ATOM 904 CA VAL A 57 -5.256 1.572 -0.177 1.00 0.00 C ATOM 905 C VAL A 57 -5.644 2.966 0.302 1.00 0.00 C ATOM 906 O VAL A 57 -5.651 3.920 -0.477 1.00 0.00 O ATOM 907 CB VAL A 57 -3.913 1.183 0.472 1.00 0.00 C ATOM 908 CG1 VAL A 57 -4.128 0.651 1.882 1.00 0.00 C ATOM 909 CG2 VAL A 57 -3.179 0.167 -0.388 1.00 0.00 C ATOM 0 H VAL A 57 -4.412 2.064 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.023 0.857 0.123 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.294 2.078 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.167 0.383 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.603 1.419 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.768 -0.230 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.233 -0.096 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.791 -0.728 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.985 0.595 -1.371 1.00 0.00 H new ATOM 919 N SER A 58 -5.968 3.077 1.585 1.00 0.00 N ATOM 920 CA SER A 58 -6.350 4.355 2.173 1.00 0.00 C ATOM 921 C SER A 58 -5.154 5.012 2.865 1.00 0.00 C ATOM 922 O SER A 58 -4.758 4.594 3.953 1.00 0.00 O ATOM 923 CB SER A 58 -7.488 4.156 3.177 1.00 0.00 C ATOM 924 OG SER A 58 -8.627 3.589 2.552 1.00 0.00 O ATOM 0 H SER A 58 -5.974 2.295 2.240 1.00 0.00 H new ATOM 0 HA SER A 58 -6.691 5.011 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.153 3.508 3.987 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.754 5.114 3.624 1.00 0.00 H new ATOM 0 HG SER A 58 -8.763 2.677 2.885 1.00 0.00 H new ATOM 930 N PRO A 59 -4.555 6.046 2.240 1.00 0.00 N ATOM 931 CA PRO A 59 -3.398 6.748 2.812 1.00 0.00 C ATOM 932 C PRO A 59 -3.733 7.458 4.121 1.00 0.00 C ATOM 933 O PRO A 59 -2.846 7.976 4.800 1.00 0.00 O ATOM 934 CB PRO A 59 -3.018 7.768 1.733 1.00 0.00 C ATOM 935 CG PRO A 59 -4.244 7.933 0.904 1.00 0.00 C ATOM 936 CD PRO A 59 -4.947 6.608 0.935 1.00 0.00 C ATOM 0 HA PRO A 59 -2.594 6.056 3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.712 8.715 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.181 7.412 1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.881 8.722 1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.989 8.215 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.028 6.724 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.634 5.967 0.111 1.00 0.00 H new ATOM 944 N ALA A 60 -5.016 7.479 4.468 1.00 0.00 N ATOM 945 CA ALA A 60 -5.464 8.124 5.695 1.00 0.00 C ATOM 946 C ALA A 60 -5.127 7.272 6.915 1.00 0.00 C ATOM 947 O ALA A 60 -5.393 7.664 8.051 1.00 0.00 O ATOM 948 CB ALA A 60 -6.959 8.392 5.634 1.00 0.00 C ATOM 0 H ALA A 60 -5.763 7.057 3.916 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.939 9.075 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.280 8.874 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.177 9.045 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.493 7.450 5.512 1.00 0.00 H new ATOM 954 N TYR A 61 -4.538 6.104 6.670 1.00 0.00 N ATOM 955 CA TYR A 61 -4.166 5.192 7.747 1.00 0.00 C ATOM 956 C TYR A 61 -2.733 4.695 7.572 1.00 0.00 C ATOM 957 O TYR A 61 -2.315 3.739 8.225 1.00 0.00 O ATOM 958 CB TYR A 61 -5.126 4.001 7.785 1.00 0.00 C ATOM 959 CG TYR A 61 -6.581 4.392 7.909 1.00 0.00 C ATOM 960 CD1 TYR A 61 -7.095 4.858 9.113 1.00 0.00 C ATOM 961 CD2 TYR A 61 -7.442 4.296 6.823 1.00 0.00 C ATOM 962 CE1 TYR A 61 -8.425 5.215 9.231 1.00 0.00 C ATOM 963 CE2 TYR A 61 -8.773 4.651 6.933 1.00 0.00 C ATOM 964 CZ TYR A 61 -9.259 5.110 8.138 1.00 0.00 C ATOM 965 OH TYR A 61 -10.584 5.464 8.252 1.00 0.00 O ATOM 0 H TYR A 61 -4.308 5.767 5.735 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.230 5.737 8.689 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.994 3.411 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.860 3.359 8.624 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.444 4.943 9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.065 3.938 5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.809 5.574 10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.429 4.569 6.079 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.033 5.332 7.391 1.00 0.00 H new ATOM 975 N LEU A 62 -1.984 5.352 6.690 1.00 0.00 N ATOM 976 CA LEU A 62 -0.599 4.971 6.429 1.00 0.00 C ATOM 977 C LEU A 62 0.382 5.884 7.155 1.00 0.00 C ATOM 978 O LEU A 62 -0.014 6.817 7.854 1.00 0.00 O ATOM 979 CB LEU A 62 -0.304 5.009 4.926 1.00 0.00 C ATOM 980 CG LEU A 62 -0.436 3.673 4.184 1.00 0.00 C ATOM 981 CD1 LEU A 62 0.370 2.582 4.874 1.00 0.00 C ATOM 982 CD2 LEU A 62 -1.897 3.269 4.066 1.00 0.00 C ATOM 0 H LEU A 62 -2.312 6.149 6.145 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.470 3.955 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.978 5.729 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.710 5.383 4.784 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.033 3.803 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.258 1.646 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.422 2.866 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.008 2.452 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.970 2.319 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.327 3.164 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.443 4.035 3.514 1.00 0.00 H new ATOM 994 N ASP A 63 1.669 5.597 6.981 1.00 0.00 N ATOM 995 CA ASP A 63 2.731 6.380 7.599 1.00 0.00 C ATOM 996 C ASP A 63 3.944 6.444 6.677 1.00 0.00 C ATOM 997 O ASP A 63 4.249 5.480 5.975 1.00 0.00 O ATOM 998 CB ASP A 63 3.128 5.775 8.946 1.00 0.00 C ATOM 999 CG ASP A 63 4.250 6.544 9.617 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.428 6.220 9.358 1.00 0.00 O ATOM 1001 OD2 ASP A 63 3.950 7.469 10.400 1.00 0.00 O ATOM 0 H ASP A 63 2.002 4.820 6.411 1.00 0.00 H new ATOM 0 HA ASP A 63 2.361 7.391 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.259 5.758 9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.437 4.740 8.799 1.00 0.00 H new ATOM 1006 N ARG A 64 4.631 7.580 6.680 1.00 0.00 N ATOM 1007 CA ARG A 64 5.805 7.763 5.835 1.00 0.00 C ATOM 1008 C ARG A 64 6.980 6.924 6.333 1.00 0.00 C ATOM 1009 O ARG A 64 7.374 7.013 7.495 1.00 0.00 O ATOM 1010 CB ARG A 64 6.197 9.241 5.784 1.00 0.00 C ATOM 1011 CG ARG A 64 7.457 9.514 4.976 1.00 0.00 C ATOM 1012 CD ARG A 64 7.666 11.002 4.745 1.00 0.00 C ATOM 1013 NE ARG A 64 7.774 11.744 5.998 1.00 0.00 N ATOM 1014 CZ ARG A 64 8.162 13.014 6.075 1.00 0.00 C ATOM 1015 NH1 ARG A 64 8.494 13.679 4.976 1.00 0.00 N ATOM 1016 NH2 ARG A 64 8.223 13.618 7.253 1.00 0.00 N ATOM 0 H ARG A 64 4.396 8.387 7.257 1.00 0.00 H new ATOM 0 HA ARG A 64 5.551 7.427 4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.372 9.812 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.343 9.604 6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.321 9.102 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.391 9.002 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.571 11.153 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.835 11.398 4.161 1.00 0.00 H new ATOM 0 HE ARG A 64 7.538 11.260 6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.452 13.217 4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.791 14.653 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.972 13.109 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.521 14.592 7.312 1.00 0.00 H new ATOM 1030 N ARG A 65 7.532 6.109 5.439 1.00 0.00 N ATOM 1031 CA ARG A 65 8.665 5.251 5.771 1.00 0.00 C ATOM 1032 C ARG A 65 9.647 5.193 4.605 1.00 0.00 C ATOM 1033 O ARG A 65 9.322 4.686 3.532 1.00 0.00 O ATOM 1034 CB ARG A 65 8.180 3.840 6.114 1.00 0.00 C ATOM 1035 CG ARG A 65 9.275 2.926 6.641 1.00 0.00 C ATOM 1036 CD ARG A 65 9.740 3.351 8.025 1.00 0.00 C ATOM 1037 NE ARG A 65 10.683 2.399 8.606 1.00 0.00 N ATOM 1038 CZ ARG A 65 11.043 2.405 9.887 1.00 0.00 C ATOM 1039 NH1 ARG A 65 10.543 3.312 10.715 1.00 0.00 N ATOM 1040 NH2 ARG A 65 11.904 1.504 10.340 1.00 0.00 N ATOM 0 H ARG A 65 7.211 6.025 4.474 1.00 0.00 H new ATOM 0 HA ARG A 65 9.173 5.671 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.388 3.909 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.741 3.390 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.907 1.901 6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.121 2.936 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.209 4.333 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.876 3.451 8.682 1.00 0.00 H new ATOM 0 HE ARG A 65 11.088 1.690 7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.881 4.007 10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.820 3.315 11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.291 0.805 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.179 1.510 11.322 1.00 0.00 H new ATOM 1054 N LEU A 66 10.850 5.715 4.822 1.00 0.00 N ATOM 1055 CA LEU A 66 11.874 5.730 3.783 1.00 0.00 C ATOM 1056 C LEU A 66 12.952 4.684 4.055 1.00 0.00 C ATOM 1057 O LEU A 66 13.476 4.591 5.165 1.00 0.00 O ATOM 1058 CB LEU A 66 12.510 7.122 3.690 1.00 0.00 C ATOM 1059 CG LEU A 66 12.896 7.581 2.279 1.00 0.00 C ATOM 1060 CD1 LEU A 66 13.915 6.636 1.660 1.00 0.00 C ATOM 1061 CD2 LEU A 66 11.661 7.688 1.397 1.00 0.00 C ATOM 0 H LEU A 66 11.140 6.133 5.706 1.00 0.00 H new ATOM 0 HA LEU A 66 11.395 5.487 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.815 7.848 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.403 7.136 4.314 1.00 0.00 H new ATOM 0 HG LEU A 66 13.353 8.568 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.173 6.983 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.812 6.613 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.491 5.634 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.954 8.015 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.175 6.715 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.968 8.411 1.827 1.00 0.00 H new ATOM 1073 N LYS A 67 13.276 3.899 3.030 1.00 0.00 N ATOM 1074 CA LYS A 67 14.298 2.866 3.148 1.00 0.00 C ATOM 1075 C LYS A 67 15.610 3.335 2.529 1.00 0.00 C ATOM 1076 O LYS A 67 15.948 2.960 1.405 1.00 0.00 O ATOM 1077 CB LYS A 67 13.837 1.573 2.469 1.00 0.00 C ATOM 1078 CG LYS A 67 12.964 0.688 3.347 1.00 0.00 C ATOM 1079 CD LYS A 67 11.682 1.392 3.768 1.00 0.00 C ATOM 1080 CE LYS A 67 10.718 0.432 4.444 1.00 0.00 C ATOM 1081 NZ LYS A 67 11.352 -0.281 5.586 1.00 0.00 N ATOM 0 H LYS A 67 12.844 3.960 2.108 1.00 0.00 H new ATOM 0 HA LYS A 67 14.459 2.670 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.285 1.827 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.714 1.006 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.716 -0.226 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.524 0.392 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.921 2.209 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.204 1.834 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.847 0.983 4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.360 -0.296 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.613 -0.652 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.929 -1.068 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.958 0.379 6.114 1.00 0.00 H new ATOM 1095 N LEU A 68 16.342 4.165 3.264 1.00 0.00 N ATOM 1096 CA LEU A 68 17.616 4.689 2.787 1.00 0.00 C ATOM 1097 C LEU A 68 18.484 5.149 3.955 1.00 0.00 C ATOM 1098 O LEU A 68 18.335 6.314 4.380 1.00 0.00 O ATOM 1099 CB LEU A 68 17.380 5.852 1.818 1.00 0.00 C ATOM 1100 CG LEU A 68 18.640 6.423 1.165 1.00 0.00 C ATOM 1101 CD1 LEU A 68 19.307 5.380 0.281 1.00 0.00 C ATOM 1102 CD2 LEU A 68 18.303 7.670 0.358 1.00 0.00 C ATOM 1103 OXT LEU A 68 19.302 4.338 4.437 1.00 0.00 O ATOM 0 H LEU A 68 16.074 4.489 4.193 1.00 0.00 H new ATOM 0 HA LEU A 68 18.140 3.890 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 68 16.703 5.517 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 68 16.873 6.654 2.355 1.00 0.00 H new ATOM 0 HG LEU A 68 19.339 6.700 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 68 20.201 5.807 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 68 19.584 4.515 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 68 18.615 5.070 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.211 8.063 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.584 7.416 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 68 17.873 8.424 1.017 1.00 0.00 H new TER 1115 LEU A 68