USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 388 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 9 TYR OH : rot 180:sc= 0.0526 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.601 K(o=0.65,f=-1.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 140:sc= 0.984 USER MOD Single : A 17 GLN : amide:sc= -0.948 K(o=-0.95,f=-2.7) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.108 K(o=0.11,f=-4.4!) USER MOD Single : A 31 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.018) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 15.612 7.649 1.569 1.00 0.00 N ATOM 2 CA PRO A 1 15.198 6.356 2.048 1.00 0.00 C ATOM 3 C PRO A 1 13.795 6.094 1.565 1.00 0.00 C ATOM 4 O PRO A 1 13.167 6.979 0.972 1.00 0.00 O ATOM 5 CB PRO A 1 15.248 6.354 3.558 1.00 0.00 C ATOM 6 CG PRO A 1 15.520 7.780 3.903 1.00 0.00 C ATOM 7 CD PRO A 1 16.163 8.403 2.685 1.00 0.00 C ATOM 0 H2 PRO A 1 14.820 8.146 1.163 1.00 0.00 H new ATOM 0 H3 PRO A 1 16.310 7.547 0.832 1.00 0.00 H new ATOM 0 HA PRO A 1 15.858 5.574 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 1 14.308 6.010 3.990 1.00 0.00 H new ATOM 0 HB3 PRO A 1 16.031 5.695 3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 1 14.597 8.299 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 1 16.179 7.851 4.768 1.00 0.00 H new ATOM 0 HD2 PRO A 1 15.924 9.464 2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 1 17.249 8.323 2.723 1.00 0.00 H new ATOM 17 N ARG A 2 13.293 4.918 1.814 1.00 0.00 N ATOM 18 CA ARG A 2 11.986 4.556 1.363 1.00 0.00 C ATOM 19 C ARG A 2 10.934 4.932 2.383 1.00 0.00 C ATOM 20 O ARG A 2 10.701 4.218 3.363 1.00 0.00 O ATOM 21 CB ARG A 2 11.913 3.084 1.025 1.00 0.00 C ATOM 22 CG ARG A 2 12.846 2.668 -0.083 1.00 0.00 C ATOM 23 CD ARG A 2 12.693 1.208 -0.377 1.00 0.00 C ATOM 24 NE ARG A 2 11.328 0.881 -0.789 1.00 0.00 N ATOM 25 CZ ARG A 2 10.795 -0.344 -0.760 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.442 -1.337 -0.150 1.00 0.00 N ATOM 27 NH2 ARG A 2 9.594 -0.561 -1.290 1.00 0.00 N ATOM 0 H ARG A 2 13.779 4.187 2.334 1.00 0.00 H new ATOM 0 HA ARG A 2 11.783 5.117 0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.143 2.504 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.891 2.837 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.636 3.250 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.876 2.882 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 2 13.390 0.920 -1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.955 0.629 0.508 1.00 0.00 H new ATOM 0 HE ARG A 2 10.740 1.644 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.343 -1.161 0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.036 -2.272 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.079 0.208 -1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.188 -1.496 -1.267 1.00 0.00 H new ATOM 41 N GLY A 3 10.360 6.072 2.166 1.00 0.00 N ATOM 42 CA GLY A 3 9.293 6.570 3.017 1.00 0.00 C ATOM 43 C GLY A 3 8.320 7.368 2.203 1.00 0.00 C ATOM 44 O GLY A 3 7.446 8.069 2.725 1.00 0.00 O ATOM 0 H GLY A 3 10.608 6.695 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.781 5.737 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.709 7.189 3.812 1.00 0.00 H new ATOM 48 N SER A 4 8.473 7.248 0.916 1.00 0.00 N ATOM 49 CA SER A 4 7.687 7.959 -0.027 1.00 0.00 C ATOM 50 C SER A 4 6.391 7.173 -0.293 1.00 0.00 C ATOM 51 O SER A 4 6.399 5.932 -0.237 1.00 0.00 O ATOM 52 CB SER A 4 8.516 8.120 -1.286 1.00 0.00 C ATOM 53 OG SER A 4 9.818 8.596 -0.955 1.00 0.00 O ATOM 0 H SER A 4 9.168 6.635 0.491 1.00 0.00 H new ATOM 0 HA SER A 4 7.405 8.945 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.590 7.165 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.027 8.817 -1.967 1.00 0.00 H new ATOM 0 HG SER A 4 10.348 8.696 -1.773 1.00 0.00 H new ATOM 59 N PRO A 5 5.282 7.877 -0.585 1.00 0.00 N ATOM 60 CA PRO A 5 3.944 7.279 -0.736 1.00 0.00 C ATOM 61 C PRO A 5 3.872 6.028 -1.637 1.00 0.00 C ATOM 62 O PRO A 5 3.382 4.983 -1.215 1.00 0.00 O ATOM 63 CB PRO A 5 3.089 8.420 -1.331 1.00 0.00 C ATOM 64 CG PRO A 5 4.061 9.494 -1.705 1.00 0.00 C ATOM 65 CD PRO A 5 5.228 9.335 -0.788 1.00 0.00 C ATOM 0 HA PRO A 5 3.601 6.907 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.528 8.078 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.361 8.784 -0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.368 9.396 -2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.612 10.481 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.147 9.717 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.082 9.870 0.151 1.00 0.00 H new ATOM 73 N ARG A 6 4.407 6.115 -2.834 1.00 0.00 N ATOM 74 CA ARG A 6 4.249 5.040 -3.809 1.00 0.00 C ATOM 75 C ARG A 6 5.109 3.832 -3.455 1.00 0.00 C ATOM 76 O ARG A 6 4.693 2.691 -3.642 1.00 0.00 O ATOM 77 CB ARG A 6 4.534 5.541 -5.238 1.00 0.00 C ATOM 78 CG ARG A 6 3.723 6.782 -5.621 1.00 0.00 C ATOM 79 CD ARG A 6 2.228 6.513 -5.553 1.00 0.00 C ATOM 80 NE ARG A 6 1.428 7.733 -5.668 1.00 0.00 N ATOM 81 CZ ARG A 6 0.094 7.764 -5.554 1.00 0.00 C ATOM 82 NH1 ARG A 6 -0.611 6.630 -5.650 1.00 0.00 N ATOM 83 NH2 ARG A 6 -0.537 8.923 -5.419 1.00 0.00 N ATOM 0 H ARG A 6 4.954 6.911 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 6 3.210 4.714 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.596 5.768 -5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.316 4.741 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.977 7.604 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.992 7.097 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.950 5.825 -6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.995 6.018 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 6 1.915 8.611 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.132 5.744 -5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.627 6.652 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.006 9.794 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.553 8.943 -5.332 1.00 0.00 H new ATOM 97 N THR A 7 6.275 4.076 -2.892 1.00 0.00 N ATOM 98 CA THR A 7 7.148 2.982 -2.542 1.00 0.00 C ATOM 99 C THR A 7 6.638 2.270 -1.260 1.00 0.00 C ATOM 100 O THR A 7 6.769 1.048 -1.127 1.00 0.00 O ATOM 101 CB THR A 7 8.649 3.424 -2.432 1.00 0.00 C ATOM 102 OG1 THR A 7 9.500 2.286 -2.333 1.00 0.00 O ATOM 103 CG2 THR A 7 8.903 4.319 -1.231 1.00 0.00 C ATOM 0 H THR A 7 6.633 5.005 -2.671 1.00 0.00 H new ATOM 0 HA THR A 7 7.119 2.258 -3.356 1.00 0.00 H new ATOM 0 HB THR A 7 8.870 3.988 -3.338 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.307 2.434 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.957 4.597 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.293 5.219 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.642 3.785 -0.317 1.00 0.00 H new ATOM 111 N GLU A 8 6.007 3.041 -0.360 1.00 0.00 N ATOM 112 CA GLU A 8 5.402 2.510 0.869 1.00 0.00 C ATOM 113 C GLU A 8 4.255 1.592 0.492 1.00 0.00 C ATOM 114 O GLU A 8 4.135 0.472 0.984 1.00 0.00 O ATOM 115 CB GLU A 8 4.867 3.674 1.716 1.00 0.00 C ATOM 116 CG GLU A 8 4.146 3.273 3.006 1.00 0.00 C ATOM 117 CD GLU A 8 5.009 2.475 3.954 1.00 0.00 C ATOM 118 OE1 GLU A 8 5.917 3.051 4.583 1.00 0.00 O ATOM 119 OE2 GLU A 8 4.773 1.261 4.120 1.00 0.00 O ATOM 0 H GLU A 8 5.903 4.050 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 8 6.146 1.958 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.701 4.326 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.181 4.261 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.798 4.173 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.262 2.688 2.752 1.00 0.00 H new ATOM 126 N TYR A 9 3.448 2.079 -0.417 1.00 0.00 N ATOM 127 CA TYR A 9 2.309 1.384 -0.944 1.00 0.00 C ATOM 128 C TYR A 9 2.701 0.025 -1.558 1.00 0.00 C ATOM 129 O TYR A 9 2.012 -0.984 -1.355 1.00 0.00 O ATOM 130 CB TYR A 9 1.611 2.327 -1.945 1.00 0.00 C ATOM 131 CG TYR A 9 0.909 1.672 -3.090 1.00 0.00 C ATOM 132 CD1 TYR A 9 -0.391 1.232 -2.990 1.00 0.00 C ATOM 133 CD2 TYR A 9 1.580 1.495 -4.279 1.00 0.00 C ATOM 134 CE1 TYR A 9 -1.010 0.616 -4.061 1.00 0.00 C ATOM 135 CE2 TYR A 9 0.983 0.891 -5.354 1.00 0.00 C ATOM 136 CZ TYR A 9 -0.312 0.448 -5.245 1.00 0.00 C ATOM 137 OH TYR A 9 -0.912 -0.171 -6.321 1.00 0.00 O ATOM 0 H TYR A 9 3.575 3.006 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 9 1.610 1.132 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.886 2.930 -1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.357 3.012 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.933 1.369 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.600 1.840 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.029 0.269 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.526 0.764 -6.279 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.283 -0.206 -7.071 1.00 0.00 H new ATOM 147 N GLU A 10 3.817 -0.001 -2.263 1.00 0.00 N ATOM 148 CA GLU A 10 4.287 -1.214 -2.897 1.00 0.00 C ATOM 149 C GLU A 10 4.874 -2.164 -1.834 1.00 0.00 C ATOM 150 O GLU A 10 4.588 -3.372 -1.817 1.00 0.00 O ATOM 151 CB GLU A 10 5.340 -0.879 -3.955 1.00 0.00 C ATOM 152 CG GLU A 10 5.680 -2.040 -4.870 1.00 0.00 C ATOM 153 CD GLU A 10 4.511 -2.442 -5.740 1.00 0.00 C ATOM 154 OE1 GLU A 10 3.612 -3.157 -5.274 1.00 0.00 O ATOM 155 OE2 GLU A 10 4.482 -2.058 -6.922 1.00 0.00 O ATOM 0 H GLU A 10 4.417 0.811 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 10 3.450 -1.710 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.982 -0.045 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.249 -0.544 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.525 -1.767 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.995 -2.894 -4.270 1.00 0.00 H new ATOM 162 N ALA A 11 5.647 -1.592 -0.915 1.00 0.00 N ATOM 163 CA ALA A 11 6.281 -2.347 0.163 1.00 0.00 C ATOM 164 C ALA A 11 5.244 -2.956 1.084 1.00 0.00 C ATOM 165 O ALA A 11 5.469 -4.005 1.668 1.00 0.00 O ATOM 166 CB ALA A 11 7.214 -1.460 0.953 1.00 0.00 C ATOM 0 H ALA A 11 5.852 -0.593 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 11 6.857 -3.154 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.677 -2.039 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.988 -1.067 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.651 -0.632 1.385 1.00 0.00 H new ATOM 172 N CYS A 12 4.107 -2.294 1.188 1.00 0.00 N ATOM 173 CA CYS A 12 2.987 -2.745 1.999 1.00 0.00 C ATOM 174 C CYS A 12 2.510 -4.125 1.502 1.00 0.00 C ATOM 175 O CYS A 12 2.151 -5.005 2.287 1.00 0.00 O ATOM 176 CB CYS A 12 1.852 -1.698 1.917 1.00 0.00 C ATOM 177 SG CYS A 12 0.527 -1.868 3.164 1.00 0.00 S ATOM 0 H CYS A 12 3.931 -1.413 0.704 1.00 0.00 H new ATOM 0 HA CYS A 12 3.292 -2.848 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.291 -0.705 2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.402 -1.753 0.926 1.00 0.00 H new ATOM 182 N ARG A 13 2.596 -4.327 0.193 1.00 0.00 N ATOM 183 CA ARG A 13 2.192 -5.577 -0.420 1.00 0.00 C ATOM 184 C ARG A 13 3.244 -6.643 -0.157 1.00 0.00 C ATOM 185 O ARG A 13 2.919 -7.784 0.170 1.00 0.00 O ATOM 186 CB ARG A 13 2.018 -5.387 -1.913 1.00 0.00 C ATOM 187 CG ARG A 13 0.995 -4.335 -2.283 1.00 0.00 C ATOM 188 CD ARG A 13 0.979 -4.107 -3.773 1.00 0.00 C ATOM 189 NE ARG A 13 0.623 -5.322 -4.519 1.00 0.00 N ATOM 190 CZ ARG A 13 0.936 -5.545 -5.801 1.00 0.00 C ATOM 191 NH1 ARG A 13 1.816 -4.775 -6.425 1.00 0.00 N ATOM 192 NH2 ARG A 13 0.422 -6.584 -6.430 1.00 0.00 N ATOM 0 H ARG A 13 2.946 -3.631 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 13 1.243 -5.895 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.979 -5.114 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.724 -6.338 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.006 -4.648 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.225 -3.401 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.267 -3.316 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.960 -3.760 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 13 0.101 -6.046 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.262 -4.004 -5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.047 -4.954 -7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.212 -7.215 -5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.658 -6.757 -7.407 1.00 0.00 H new ATOM 206 N VAL A 14 4.510 -6.247 -0.275 1.00 0.00 N ATOM 207 CA VAL A 14 5.654 -7.144 -0.030 1.00 0.00 C ATOM 208 C VAL A 14 5.639 -7.615 1.432 1.00 0.00 C ATOM 209 O VAL A 14 5.896 -8.793 1.743 1.00 0.00 O ATOM 210 CB VAL A 14 7.002 -6.430 -0.352 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.193 -7.352 -0.115 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.003 -5.921 -1.788 1.00 0.00 C ATOM 0 H VAL A 14 4.778 -5.300 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 14 5.564 -8.008 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 14 7.099 -5.581 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.116 -6.822 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.209 -7.664 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.106 -8.230 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.951 -5.425 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.874 -6.760 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.185 -5.213 -1.924 1.00 0.00 H new ATOM 222 N ARG A 15 5.294 -6.690 2.305 1.00 0.00 N ATOM 223 CA ARG A 15 5.137 -6.943 3.725 1.00 0.00 C ATOM 224 C ARG A 15 4.122 -8.065 3.927 1.00 0.00 C ATOM 225 O ARG A 15 4.367 -9.017 4.650 1.00 0.00 O ATOM 226 CB ARG A 15 4.642 -5.663 4.391 1.00 0.00 C ATOM 227 CG ARG A 15 4.506 -5.711 5.902 1.00 0.00 C ATOM 228 CD ARG A 15 3.950 -4.391 6.410 1.00 0.00 C ATOM 229 NE ARG A 15 4.785 -3.254 5.995 1.00 0.00 N ATOM 230 CZ ARG A 15 4.329 -2.096 5.494 1.00 0.00 C ATOM 231 NH1 ARG A 15 3.021 -1.865 5.408 1.00 0.00 N ATOM 232 NH2 ARG A 15 5.189 -1.178 5.089 1.00 0.00 N ATOM 0 H ARG A 15 5.111 -5.721 2.043 1.00 0.00 H new ATOM 0 HA ARG A 15 6.087 -7.243 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.326 -4.854 4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.671 -5.408 3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.847 -6.529 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.477 -5.907 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.936 -4.254 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.886 -4.418 7.498 1.00 0.00 H new ATOM 0 HE ARG A 15 5.795 -3.354 6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.357 -2.571 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.683 -0.982 5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.192 -1.352 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.850 -0.295 4.707 1.00 0.00 H new ATOM 246 N CYS A 16 3.013 -7.968 3.234 1.00 0.00 N ATOM 247 CA CYS A 16 1.977 -8.975 3.310 1.00 0.00 C ATOM 248 C CYS A 16 2.393 -10.312 2.695 1.00 0.00 C ATOM 249 O CYS A 16 1.889 -11.360 3.101 1.00 0.00 O ATOM 250 CB CYS A 16 0.695 -8.465 2.701 1.00 0.00 C ATOM 251 SG CYS A 16 -0.046 -7.099 3.633 1.00 0.00 S ATOM 0 H CYS A 16 2.802 -7.194 2.604 1.00 0.00 H new ATOM 0 HA CYS A 16 1.807 -9.172 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.891 -8.135 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.021 -9.284 2.639 1.00 0.00 H new ATOM 256 N GLN A 17 3.320 -10.287 1.748 1.00 0.00 N ATOM 257 CA GLN A 17 3.827 -11.520 1.146 1.00 0.00 C ATOM 258 C GLN A 17 4.510 -12.366 2.208 1.00 0.00 C ATOM 259 O GLN A 17 4.311 -13.579 2.275 1.00 0.00 O ATOM 260 CB GLN A 17 4.818 -11.220 0.018 1.00 0.00 C ATOM 261 CG GLN A 17 4.217 -10.506 -1.175 1.00 0.00 C ATOM 262 CD GLN A 17 5.256 -10.102 -2.198 1.00 0.00 C ATOM 263 OE1 GLN A 17 6.406 -9.836 -1.861 1.00 0.00 O ATOM 264 NE2 GLN A 17 4.876 -10.045 -3.443 1.00 0.00 N ATOM 0 H GLN A 17 3.737 -9.433 1.379 1.00 0.00 H new ATOM 0 HA GLN A 17 2.981 -12.064 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.630 -10.612 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.258 -12.158 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.480 -11.155 -1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.686 -9.618 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.914 -10.272 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.541 -9.774 -4.167 1.00 0.00 H new ATOM 273 N VAL A 18 5.290 -11.719 3.051 1.00 0.00 N ATOM 274 CA VAL A 18 6.004 -12.428 4.096 1.00 0.00 C ATOM 275 C VAL A 18 5.166 -12.574 5.397 1.00 0.00 C ATOM 276 O VAL A 18 5.219 -13.610 6.059 1.00 0.00 O ATOM 277 CB VAL A 18 7.415 -11.799 4.378 1.00 0.00 C ATOM 278 CG1 VAL A 18 7.325 -10.354 4.854 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.222 -12.648 5.357 1.00 0.00 C ATOM 0 H VAL A 18 5.445 -10.711 3.034 1.00 0.00 H new ATOM 0 HA VAL A 18 6.172 -13.437 3.720 1.00 0.00 H new ATOM 0 HB VAL A 18 7.943 -11.788 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.328 -9.967 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.835 -9.749 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.748 -10.310 5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.192 -12.182 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.684 -12.724 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.367 -13.645 4.941 1.00 0.00 H new ATOM 289 N ALA A 19 4.378 -11.561 5.738 1.00 0.00 N ATOM 290 CA ALA A 19 3.601 -11.587 6.979 1.00 0.00 C ATOM 291 C ALA A 19 2.286 -12.363 6.840 1.00 0.00 C ATOM 292 O ALA A 19 2.078 -13.365 7.538 1.00 0.00 O ATOM 293 CB ALA A 19 3.348 -10.174 7.486 1.00 0.00 C ATOM 0 H ALA A 19 4.258 -10.716 5.180 1.00 0.00 H new ATOM 0 HA ALA A 19 4.201 -12.122 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.769 -10.217 8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.301 -9.680 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.793 -9.612 6.735 1.00 0.00 H new ATOM 299 N GLU A 20 1.412 -11.915 5.941 1.00 0.00 N ATOM 300 CA GLU A 20 0.106 -12.559 5.722 1.00 0.00 C ATOM 301 C GLU A 20 0.314 -13.945 5.151 1.00 0.00 C ATOM 302 O GLU A 20 -0.259 -14.924 5.641 1.00 0.00 O ATOM 303 CB GLU A 20 -0.737 -11.755 4.716 1.00 0.00 C ATOM 304 CG GLU A 20 -1.158 -10.370 5.165 1.00 0.00 C ATOM 305 CD GLU A 20 -2.281 -10.383 6.165 1.00 0.00 C ATOM 306 OE1 GLU A 20 -2.026 -10.463 7.373 1.00 0.00 O ATOM 307 OE2 GLU A 20 -3.453 -10.264 5.753 1.00 0.00 O ATOM 0 H GLU A 20 1.581 -11.104 5.346 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.412 -12.607 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.170 -11.659 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.634 -12.329 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.299 -9.860 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.464 -9.791 4.294 1.00 0.00 H new ATOM 314 N HIS A 21 1.157 -13.994 4.123 1.00 0.00 N ATOM 315 CA HIS A 21 1.481 -15.194 3.365 1.00 0.00 C ATOM 316 C HIS A 21 0.232 -15.735 2.673 1.00 0.00 C ATOM 317 O HIS A 21 -0.631 -16.398 3.286 1.00 0.00 O ATOM 318 CB HIS A 21 2.178 -16.275 4.223 1.00 0.00 C ATOM 319 CG HIS A 21 2.720 -17.430 3.423 1.00 0.00 C ATOM 320 ND1 HIS A 21 2.254 -18.726 3.510 1.00 0.00 N ATOM 321 CD2 HIS A 21 3.730 -17.461 2.526 1.00 0.00 C ATOM 322 CE1 HIS A 21 2.984 -19.482 2.686 1.00 0.00 C ATOM 323 NE2 HIS A 21 3.895 -18.762 2.062 1.00 0.00 N ATOM 0 H HIS A 21 1.650 -13.168 3.785 1.00 0.00 H new ATOM 0 HA HIS A 21 2.205 -14.912 2.601 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.995 -15.814 4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.469 -16.655 4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.317 -16.609 2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 21 2.846 -20.544 2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.579 -19.091 1.380 1.00 0.00 H new ATOM 331 N GLY A 22 0.119 -15.420 1.428 1.00 0.00 N ATOM 332 CA GLY A 22 -1.007 -15.815 0.652 1.00 0.00 C ATOM 333 C GLY A 22 -1.157 -14.889 -0.503 1.00 0.00 C ATOM 334 O GLY A 22 -1.059 -13.672 -0.331 1.00 0.00 O ATOM 0 H GLY A 22 0.812 -14.876 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.879 -16.838 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.909 -15.800 1.264 1.00 0.00 H new ATOM 338 N VAL A 23 -1.388 -15.432 -1.668 1.00 0.00 N ATOM 339 CA VAL A 23 -1.478 -14.641 -2.884 1.00 0.00 C ATOM 340 C VAL A 23 -2.662 -13.681 -2.822 1.00 0.00 C ATOM 341 O VAL A 23 -2.508 -12.475 -3.021 1.00 0.00 O ATOM 342 CB VAL A 23 -1.593 -15.541 -4.134 1.00 0.00 C ATOM 343 CG1 VAL A 23 -1.575 -14.708 -5.406 1.00 0.00 C ATOM 344 CG2 VAL A 23 -0.477 -16.570 -4.152 1.00 0.00 C ATOM 0 H VAL A 23 -1.520 -16.433 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.559 -14.061 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.547 -16.067 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.657 -15.365 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.414 -14.012 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.641 -14.149 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.573 -17.196 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.487 -16.061 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.542 -17.193 -3.260 1.00 0.00 H new ATOM 354 N GLU A 24 -3.825 -14.206 -2.479 1.00 0.00 N ATOM 355 CA GLU A 24 -5.028 -13.392 -2.393 1.00 0.00 C ATOM 356 C GLU A 24 -4.943 -12.463 -1.196 1.00 0.00 C ATOM 357 O GLU A 24 -5.559 -11.418 -1.171 1.00 0.00 O ATOM 358 CB GLU A 24 -6.320 -14.232 -2.310 1.00 0.00 C ATOM 359 CG GLU A 24 -6.590 -15.164 -3.493 1.00 0.00 C ATOM 360 CD GLU A 24 -5.675 -16.356 -3.521 1.00 0.00 C ATOM 361 OE1 GLU A 24 -5.838 -17.249 -2.674 1.00 0.00 O ATOM 362 OE2 GLU A 24 -4.775 -16.416 -4.361 1.00 0.00 O ATOM 0 H GLU A 24 -3.964 -15.191 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.082 -12.813 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.282 -14.832 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.166 -13.552 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.624 -15.507 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.478 -14.605 -4.422 1.00 0.00 H new ATOM 369 N ARG A 25 -4.149 -12.848 -0.216 1.00 0.00 N ATOM 370 CA ARG A 25 -3.949 -12.037 0.977 1.00 0.00 C ATOM 371 C ARG A 25 -3.056 -10.844 0.651 1.00 0.00 C ATOM 372 O ARG A 25 -3.254 -9.744 1.162 1.00 0.00 O ATOM 373 CB ARG A 25 -3.373 -12.875 2.116 1.00 0.00 C ATOM 374 CG ARG A 25 -4.298 -13.999 2.546 1.00 0.00 C ATOM 375 CD ARG A 25 -3.697 -14.843 3.649 1.00 0.00 C ATOM 376 NE ARG A 25 -4.614 -15.907 4.069 1.00 0.00 N ATOM 377 CZ ARG A 25 -4.262 -17.018 4.731 1.00 0.00 C ATOM 378 NH1 ARG A 25 -2.977 -17.280 4.984 1.00 0.00 N ATOM 379 NH2 ARG A 25 -5.193 -17.883 5.105 1.00 0.00 N ATOM 0 H ARG A 25 -3.627 -13.724 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.914 -11.658 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.418 -13.296 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.172 -12.229 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.244 -13.578 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.522 -14.632 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.761 -15.283 3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.456 -14.210 4.503 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.601 -15.792 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.253 -16.632 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.719 -18.128 5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.173 -17.702 4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.929 -18.730 5.609 1.00 0.00 H new ATOM 393 N GLN A 26 -2.094 -11.068 -0.226 1.00 0.00 N ATOM 394 CA GLN A 26 -1.240 -10.007 -0.735 1.00 0.00 C ATOM 395 C GLN A 26 -2.084 -9.071 -1.580 1.00 0.00 C ATOM 396 O GLN A 26 -1.981 -7.858 -1.464 1.00 0.00 O ATOM 397 CB GLN A 26 -0.052 -10.619 -1.526 1.00 0.00 C ATOM 398 CG GLN A 26 0.947 -9.643 -2.192 1.00 0.00 C ATOM 399 CD GLN A 26 0.495 -9.090 -3.541 1.00 0.00 C ATOM 400 OE1 GLN A 26 -0.121 -8.028 -3.643 1.00 0.00 O ATOM 401 NE2 GLN A 26 0.790 -9.816 -4.579 1.00 0.00 N ATOM 0 H GLN A 26 -1.882 -11.990 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.808 -9.429 0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.509 -11.261 -0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.463 -11.262 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.126 -8.808 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.900 -10.155 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.301 -10.691 -4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.510 -9.511 -5.511 1.00 0.00 H new ATOM 410 N ARG A 27 -2.958 -9.652 -2.390 1.00 0.00 N ATOM 411 CA ARG A 27 -3.864 -8.884 -3.234 1.00 0.00 C ATOM 412 C ARG A 27 -4.873 -8.122 -2.378 1.00 0.00 C ATOM 413 O ARG A 27 -5.298 -7.015 -2.725 1.00 0.00 O ATOM 414 CB ARG A 27 -4.562 -9.787 -4.243 1.00 0.00 C ATOM 415 CG ARG A 27 -3.594 -10.485 -5.184 1.00 0.00 C ATOM 416 CD ARG A 27 -4.310 -11.294 -6.241 1.00 0.00 C ATOM 417 NE ARG A 27 -5.138 -10.451 -7.113 1.00 0.00 N ATOM 418 CZ ARG A 27 -5.591 -10.809 -8.321 1.00 0.00 C ATOM 419 NH1 ARG A 27 -5.235 -11.977 -8.861 1.00 0.00 N ATOM 420 NH2 ARG A 27 -6.382 -9.995 -8.992 1.00 0.00 N ATOM 0 H ARG A 27 -3.059 -10.663 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.280 -8.155 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.145 -10.537 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.265 -9.194 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.959 -9.742 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.939 -11.140 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.578 -11.830 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.938 -12.044 -5.760 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.387 -9.522 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.613 -12.605 -8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.585 -12.241 -9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.647 -9.096 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.729 -10.265 -9.913 1.00 0.00 H new ATOM 434 N ARG A 28 -5.237 -8.715 -1.251 1.00 0.00 N ATOM 435 CA ARG A 28 -6.067 -8.060 -0.259 1.00 0.00 C ATOM 436 C ARG A 28 -5.342 -6.827 0.243 1.00 0.00 C ATOM 437 O ARG A 28 -5.924 -5.751 0.330 1.00 0.00 O ATOM 438 CB ARG A 28 -6.391 -9.023 0.899 1.00 0.00 C ATOM 439 CG ARG A 28 -7.220 -8.415 2.023 1.00 0.00 C ATOM 440 CD ARG A 28 -7.665 -9.472 3.023 1.00 0.00 C ATOM 441 NE ARG A 28 -6.545 -10.082 3.761 1.00 0.00 N ATOM 442 CZ ARG A 28 -6.590 -11.280 4.369 1.00 0.00 C ATOM 443 NH1 ARG A 28 -7.623 -12.088 4.173 1.00 0.00 N ATOM 444 NH2 ARG A 28 -5.592 -11.674 5.155 1.00 0.00 N ATOM 0 H ARG A 28 -4.963 -9.665 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.015 -7.763 -0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.925 -9.884 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.455 -9.394 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.635 -7.651 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.095 -7.918 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.357 -9.021 3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.213 -10.253 2.496 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.672 -9.557 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.386 -11.801 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.655 -12.997 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.786 -11.066 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.633 -12.584 5.613 1.00 0.00 H new ATOM 458 N CYS A 29 -4.059 -6.978 0.524 1.00 0.00 N ATOM 459 CA CYS A 29 -3.234 -5.870 0.925 1.00 0.00 C ATOM 460 C CYS A 29 -3.065 -4.868 -0.184 1.00 0.00 C ATOM 461 O CYS A 29 -2.949 -3.703 0.085 1.00 0.00 O ATOM 462 CB CYS A 29 -1.888 -6.323 1.432 1.00 0.00 C ATOM 463 SG CYS A 29 -1.957 -7.155 3.029 1.00 0.00 S ATOM 0 H CYS A 29 -3.569 -7.871 0.479 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.756 -5.381 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.442 -6.997 0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.230 -5.458 1.511 1.00 0.00 H new ATOM 468 N GLN A 30 -3.061 -5.317 -1.435 1.00 0.00 N ATOM 469 CA GLN A 30 -2.990 -4.392 -2.553 1.00 0.00 C ATOM 470 C GLN A 30 -4.193 -3.469 -2.457 1.00 0.00 C ATOM 471 O GLN A 30 -4.035 -2.266 -2.427 1.00 0.00 O ATOM 472 CB GLN A 30 -2.931 -5.144 -3.919 1.00 0.00 C ATOM 473 CG GLN A 30 -2.592 -4.267 -5.155 1.00 0.00 C ATOM 474 CD GLN A 30 -3.694 -3.306 -5.580 1.00 0.00 C ATOM 475 OE1 GLN A 30 -4.884 -3.597 -5.429 1.00 0.00 O ATOM 476 NE2 GLN A 30 -3.318 -2.158 -6.079 1.00 0.00 N ATOM 0 H GLN A 30 -3.106 -6.302 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.071 -3.807 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.188 -5.938 -3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.894 -5.625 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.692 -3.692 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.358 -4.922 -5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.325 -1.951 -6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.017 -1.469 -6.358 1.00 0.00 H new ATOM 485 N GLN A 31 -5.378 -4.063 -2.317 1.00 0.00 N ATOM 486 CA GLN A 31 -6.625 -3.320 -2.166 1.00 0.00 C ATOM 487 C GLN A 31 -6.549 -2.378 -0.952 1.00 0.00 C ATOM 488 O GLN A 31 -6.755 -1.167 -1.080 1.00 0.00 O ATOM 489 CB GLN A 31 -7.798 -4.290 -1.974 1.00 0.00 C ATOM 490 CG GLN A 31 -9.154 -3.604 -1.813 1.00 0.00 C ATOM 491 CD GLN A 31 -10.282 -4.554 -1.425 1.00 0.00 C ATOM 492 OE1 GLN A 31 -11.452 -4.337 -1.776 1.00 0.00 O ATOM 493 NE2 GLN A 31 -9.967 -5.579 -0.678 1.00 0.00 N ATOM 0 H GLN A 31 -5.498 -5.076 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.780 -2.730 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.843 -4.963 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.607 -4.905 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.069 -2.826 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.414 -3.109 -2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.996 -5.732 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.692 -6.226 -0.368 1.00 0.00 H new ATOM 502 N VAL A 32 -6.221 -2.949 0.202 1.00 0.00 N ATOM 503 CA VAL A 32 -6.159 -2.217 1.470 1.00 0.00 C ATOM 504 C VAL A 32 -5.112 -1.093 1.450 1.00 0.00 C ATOM 505 O VAL A 32 -5.437 0.054 1.729 1.00 0.00 O ATOM 506 CB VAL A 32 -5.908 -3.174 2.680 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.736 -2.397 3.979 1.00 0.00 C ATOM 508 CG2 VAL A 32 -7.060 -4.161 2.827 1.00 0.00 C ATOM 0 H VAL A 32 -5.989 -3.938 0.289 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.137 -1.752 1.597 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.986 -3.719 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.563 -3.094 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.884 -1.723 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.638 -1.818 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.869 -4.820 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.988 -3.615 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.148 -4.756 1.918 1.00 0.00 H new ATOM 518 N CYS A 33 -3.886 -1.409 1.082 1.00 0.00 N ATOM 519 CA CYS A 33 -2.807 -0.428 1.087 1.00 0.00 C ATOM 520 C CYS A 33 -3.050 0.639 0.025 1.00 0.00 C ATOM 521 O CYS A 33 -2.642 1.779 0.188 1.00 0.00 O ATOM 522 CB CYS A 33 -1.434 -1.104 0.904 1.00 0.00 C ATOM 523 SG CYS A 33 -1.108 -2.451 2.115 1.00 0.00 S ATOM 0 H CYS A 33 -3.607 -2.340 0.774 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.797 0.062 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.371 -1.511 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.652 -0.350 0.993 1.00 0.00 H new ATOM 528 N GLU A 34 -3.754 0.266 -1.044 1.00 0.00 N ATOM 529 CA GLU A 34 -4.126 1.202 -2.086 1.00 0.00 C ATOM 530 C GLU A 34 -5.115 2.205 -1.511 1.00 0.00 C ATOM 531 O GLU A 34 -4.983 3.403 -1.730 1.00 0.00 O ATOM 532 CB GLU A 34 -4.756 0.460 -3.260 1.00 0.00 C ATOM 533 CG GLU A 34 -5.069 1.303 -4.470 1.00 0.00 C ATOM 534 CD GLU A 34 -5.734 0.492 -5.548 1.00 0.00 C ATOM 535 OE1 GLU A 34 -6.983 0.365 -5.528 1.00 0.00 O ATOM 536 OE2 GLU A 34 -5.040 -0.045 -6.429 1.00 0.00 O ATOM 0 H GLU A 34 -4.077 -0.688 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.239 1.723 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.083 -0.343 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.678 -0.009 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.719 2.129 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.149 1.741 -4.858 1.00 0.00 H new ATOM 543 N LYS A 35 -6.080 1.699 -0.732 1.00 0.00 N ATOM 544 CA LYS A 35 -7.080 2.543 -0.085 1.00 0.00 C ATOM 545 C LYS A 35 -6.433 3.428 0.953 1.00 0.00 C ATOM 546 O LYS A 35 -6.733 4.613 1.037 1.00 0.00 O ATOM 547 CB LYS A 35 -8.178 1.714 0.580 1.00 0.00 C ATOM 548 CG LYS A 35 -9.008 0.879 -0.374 1.00 0.00 C ATOM 549 CD LYS A 35 -10.129 0.145 0.340 1.00 0.00 C ATOM 550 CE LYS A 35 -11.133 1.110 0.964 1.00 0.00 C ATOM 551 NZ LYS A 35 -12.232 0.406 1.654 1.00 0.00 N ATOM 0 H LYS A 35 -6.185 0.703 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.533 3.156 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.720 1.053 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.842 2.386 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.430 1.523 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.365 0.157 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.643 -0.508 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.708 -0.494 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.618 1.758 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.547 1.753 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.888 1.102 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.742 -0.193 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.841 -0.188 2.413 1.00 0.00 H new ATOM 565 N ARG A 36 -5.533 2.844 1.727 1.00 0.00 N ATOM 566 CA ARG A 36 -4.807 3.570 2.755 1.00 0.00 C ATOM 567 C ARG A 36 -3.988 4.690 2.150 1.00 0.00 C ATOM 568 O ARG A 36 -3.983 5.813 2.659 1.00 0.00 O ATOM 569 CB ARG A 36 -3.900 2.648 3.565 1.00 0.00 C ATOM 570 CG ARG A 36 -4.633 1.605 4.389 1.00 0.00 C ATOM 571 CD ARG A 36 -3.661 0.803 5.228 1.00 0.00 C ATOM 572 NE ARG A 36 -2.894 1.676 6.124 1.00 0.00 N ATOM 573 CZ ARG A 36 -1.962 1.287 6.995 1.00 0.00 C ATOM 574 NH1 ARG A 36 -1.677 -0.002 7.157 1.00 0.00 N ATOM 575 NH2 ARG A 36 -1.329 2.204 7.718 1.00 0.00 N ATOM 0 H ARG A 36 -5.286 1.857 1.661 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.550 3.996 3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.218 2.140 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.289 3.256 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.362 2.093 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.188 0.938 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.206 0.063 5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.980 0.255 4.577 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.093 2.675 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.174 -0.707 6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.962 -0.286 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.558 3.191 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.614 1.921 8.388 1.00 0.00 H new ATOM 589 N LEU A 37 -3.318 4.387 1.057 1.00 0.00 N ATOM 590 CA LEU A 37 -2.507 5.355 0.355 1.00 0.00 C ATOM 591 C LEU A 37 -3.421 6.421 -0.253 1.00 0.00 C ATOM 592 O LEU A 37 -3.118 7.613 -0.198 1.00 0.00 O ATOM 593 CB LEU A 37 -1.650 4.626 -0.718 1.00 0.00 C ATOM 594 CG LEU A 37 -0.463 5.384 -1.354 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.906 6.476 -2.301 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.439 5.946 -0.273 1.00 0.00 C ATOM 0 H LEU A 37 -3.322 3.460 0.631 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.819 5.856 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.258 3.715 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.318 4.320 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 37 0.095 4.662 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.030 6.974 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.494 6.041 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.513 7.202 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.271 6.478 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.129 6.634 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.824 5.131 0.340 1.00 0.00 H new ATOM 608 N ARG A 38 -4.549 5.979 -0.783 1.00 0.00 N ATOM 609 CA ARG A 38 -5.545 6.856 -1.378 1.00 0.00 C ATOM 610 C ARG A 38 -6.048 7.860 -0.368 1.00 0.00 C ATOM 611 O ARG A 38 -6.183 9.038 -0.675 1.00 0.00 O ATOM 612 CB ARG A 38 -6.700 6.036 -1.948 1.00 0.00 C ATOM 613 CG ARG A 38 -7.794 6.844 -2.622 1.00 0.00 C ATOM 614 CD ARG A 38 -8.827 5.925 -3.241 1.00 0.00 C ATOM 615 NE ARG A 38 -8.237 5.063 -4.281 1.00 0.00 N ATOM 616 CZ ARG A 38 -8.349 3.718 -4.342 1.00 0.00 C ATOM 617 NH1 ARG A 38 -9.010 3.041 -3.386 1.00 0.00 N ATOM 618 NH2 ARG A 38 -7.793 3.056 -5.355 1.00 0.00 N ATOM 0 H ARG A 38 -4.802 4.991 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.076 7.406 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.298 5.325 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.145 5.454 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.272 7.499 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.361 7.484 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.274 5.304 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.630 6.520 -3.675 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.699 5.521 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.433 3.543 -2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.089 2.026 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.286 3.564 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.874 2.041 -5.406 1.00 0.00 H new ATOM 632 N GLU A 39 -6.300 7.405 0.834 1.00 0.00 N ATOM 633 CA GLU A 39 -6.741 8.290 1.870 1.00 0.00 C ATOM 634 C GLU A 39 -5.598 9.159 2.367 1.00 0.00 C ATOM 635 O GLU A 39 -5.796 10.327 2.663 1.00 0.00 O ATOM 636 CB GLU A 39 -7.438 7.542 3.001 1.00 0.00 C ATOM 637 CG GLU A 39 -8.683 6.798 2.538 1.00 0.00 C ATOM 638 CD GLU A 39 -9.476 6.226 3.673 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.394 6.922 4.181 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.224 5.084 4.085 1.00 0.00 O ATOM 0 H GLU A 39 -6.206 6.429 1.114 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.490 8.956 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.740 6.832 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.713 8.250 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.315 7.478 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.390 5.993 1.864 1.00 0.00 H new ATOM 647 N ARG A 40 -4.392 8.602 2.397 1.00 0.00 N ATOM 648 CA ARG A 40 -3.212 9.357 2.815 1.00 0.00 C ATOM 649 C ARG A 40 -2.981 10.534 1.864 1.00 0.00 C ATOM 650 O ARG A 40 -2.700 11.648 2.298 1.00 0.00 O ATOM 651 CB ARG A 40 -1.955 8.461 2.871 1.00 0.00 C ATOM 652 CG ARG A 40 -0.708 9.177 3.394 1.00 0.00 C ATOM 653 CD ARG A 40 0.529 8.277 3.391 1.00 0.00 C ATOM 654 NE ARG A 40 0.396 7.102 4.276 1.00 0.00 N ATOM 655 CZ ARG A 40 1.413 6.283 4.628 1.00 0.00 C ATOM 656 NH1 ARG A 40 2.664 6.544 4.234 1.00 0.00 N ATOM 657 NH2 ARG A 40 1.174 5.226 5.390 1.00 0.00 N ATOM 0 H ARG A 40 -4.204 7.633 2.138 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.394 9.735 3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.162 7.600 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.750 8.077 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.514 10.057 2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.894 9.530 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.721 7.937 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.396 8.861 3.701 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.530 6.893 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.858 7.367 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.424 5.920 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.225 5.032 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.939 4.606 5.657 1.00 0.00 H new ATOM 671 N GLU A 41 -3.125 10.293 0.567 1.00 0.00 N ATOM 672 CA GLU A 41 -2.953 11.359 -0.391 1.00 0.00 C ATOM 673 C GLU A 41 -4.199 12.255 -0.436 1.00 0.00 C ATOM 674 O GLU A 41 -4.088 13.474 -0.515 1.00 0.00 O ATOM 675 CB GLU A 41 -2.607 10.848 -1.819 1.00 0.00 C ATOM 676 CG GLU A 41 -3.713 10.063 -2.527 1.00 0.00 C ATOM 677 CD GLU A 41 -3.516 9.971 -4.032 1.00 0.00 C ATOM 678 OE1 GLU A 41 -3.847 10.945 -4.745 1.00 0.00 O ATOM 679 OE2 GLU A 41 -3.078 8.926 -4.540 1.00 0.00 O ATOM 0 H GLU A 41 -3.356 9.384 0.167 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.098 11.942 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.342 11.705 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.722 10.215 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.758 9.056 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.673 10.536 -2.321 1.00 0.00 H new ATOM 686 N GLY A 42 -5.365 11.642 -0.331 1.00 0.00 N ATOM 687 CA GLY A 42 -6.625 12.333 -0.483 1.00 0.00 C ATOM 688 C GLY A 42 -6.971 13.273 0.646 1.00 0.00 C ATOM 689 O GLY A 42 -7.580 14.310 0.418 1.00 0.00 O ATOM 0 H GLY A 42 -5.460 10.645 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.603 12.899 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.420 11.593 -0.578 1.00 0.00 H new ATOM 693 N ARG A 43 -6.611 12.928 1.859 1.00 0.00 N ATOM 694 CA ARG A 43 -6.929 13.786 3.004 1.00 0.00 C ATOM 695 C ARG A 43 -6.027 15.010 3.034 1.00 0.00 C ATOM 696 O ARG A 43 -6.342 16.023 3.676 1.00 0.00 O ATOM 697 CB ARG A 43 -6.839 13.013 4.312 1.00 0.00 C ATOM 698 CG ARG A 43 -7.811 11.850 4.390 1.00 0.00 C ATOM 699 CD ARG A 43 -7.594 11.034 5.640 1.00 0.00 C ATOM 700 NE ARG A 43 -8.422 9.827 5.651 1.00 0.00 N ATOM 701 CZ ARG A 43 -8.382 8.882 6.590 1.00 0.00 C ATOM 702 NH1 ARG A 43 -7.565 9.013 7.622 1.00 0.00 N ATOM 703 NH2 ARG A 43 -9.145 7.799 6.478 1.00 0.00 N ATOM 0 H ARG A 43 -6.104 12.074 2.090 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.958 14.127 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.823 12.637 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.030 13.693 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.834 12.227 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.691 11.214 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.543 10.755 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.825 11.641 6.515 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.079 9.699 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.967 9.836 7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.533 8.291 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.762 7.691 5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.114 7.076 7.197 1.00 0.00 H new ATOM 717 N ARG A 44 -4.920 14.915 2.332 1.00 0.00 N ATOM 718 CA ARG A 44 -3.976 16.004 2.225 1.00 0.00 C ATOM 719 C ARG A 44 -4.279 16.829 0.974 1.00 0.00 C ATOM 720 O ARG A 44 -4.273 18.061 1.007 1.00 0.00 O ATOM 721 CB ARG A 44 -2.544 15.463 2.180 1.00 0.00 C ATOM 722 CG ARG A 44 -2.141 14.691 3.426 1.00 0.00 C ATOM 723 CD ARG A 44 -0.724 14.162 3.320 1.00 0.00 C ATOM 724 NE ARG A 44 -0.302 13.449 4.540 1.00 0.00 N ATOM 725 CZ ARG A 44 0.725 12.578 4.614 1.00 0.00 C ATOM 726 NH1 ARG A 44 1.443 12.292 3.532 1.00 0.00 N ATOM 727 NH2 ARG A 44 1.036 12.008 5.774 1.00 0.00 N ATOM 0 H ARG A 44 -4.648 14.077 1.818 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.071 16.646 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.438 14.813 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.855 16.296 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.224 15.339 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.830 13.860 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.652 13.489 2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.042 14.991 3.132 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.828 13.629 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.218 12.732 2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.219 11.632 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.497 12.229 6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.813 11.350 5.827 1.00 0.00 H new ATOM 741 N GLU A 45 -4.561 16.138 -0.111 1.00 0.00 N ATOM 742 CA GLU A 45 -4.890 16.742 -1.382 1.00 0.00 C ATOM 743 C GLU A 45 -6.346 16.420 -1.691 1.00 0.00 C ATOM 744 O GLU A 45 -6.673 15.319 -2.163 1.00 0.00 O ATOM 745 CB GLU A 45 -3.970 16.166 -2.459 1.00 0.00 C ATOM 746 CG GLU A 45 -4.130 16.736 -3.851 1.00 0.00 C ATOM 747 CD GLU A 45 -3.241 16.020 -4.836 1.00 0.00 C ATOM 748 OE1 GLU A 45 -2.089 16.446 -5.038 1.00 0.00 O ATOM 749 OE2 GLU A 45 -3.664 14.986 -5.411 1.00 0.00 O ATOM 0 H GLU A 45 -4.568 15.118 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.754 17.823 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.938 16.317 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.134 15.090 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.170 16.650 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.887 17.799 -3.842 1.00 0.00 H new ATOM 756 N VAL A 46 -7.217 17.343 -1.383 1.00 0.00 N ATOM 757 CA VAL A 46 -8.632 17.117 -1.523 1.00 0.00 C ATOM 758 C VAL A 46 -9.273 18.203 -2.372 1.00 0.00 C ATOM 759 O VAL A 46 -8.952 19.391 -2.237 1.00 0.00 O ATOM 760 CB VAL A 46 -9.330 17.037 -0.117 1.00 0.00 C ATOM 761 CG1 VAL A 46 -9.138 18.323 0.682 1.00 0.00 C ATOM 762 CG2 VAL A 46 -10.814 16.692 -0.237 1.00 0.00 C ATOM 0 H VAL A 46 -6.969 18.267 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.768 16.161 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.844 16.228 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.635 18.229 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.074 18.500 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.568 19.160 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.259 16.647 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.319 17.458 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.924 15.725 -0.728 1.00 0.00 H new ATOM 772 N ASP A 47 -10.131 17.803 -3.258 1.00 0.00 N ATOM 773 CA ASP A 47 -10.878 18.733 -4.044 1.00 0.00 C ATOM 774 C ASP A 47 -12.318 18.438 -3.816 1.00 0.00 C ATOM 775 O ASP A 47 -12.938 19.109 -2.992 1.00 0.00 O ATOM 776 CB ASP A 47 -10.545 18.643 -5.528 1.00 0.00 C ATOM 777 CG ASP A 47 -11.272 19.698 -6.329 1.00 0.00 C ATOM 778 OD1 ASP A 47 -12.374 19.436 -6.844 1.00 0.00 O ATOM 779 OD2 ASP A 47 -10.746 20.814 -6.450 1.00 0.00 O ATOM 780 OXT ASP A 47 -12.814 17.433 -4.361 1.00 0.00 O ATOM 0 H ASP A 47 -10.333 16.823 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.625 19.749 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.470 18.757 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.812 17.654 -5.902 1.00 0.00 H new TER 785 ASP A 47