USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 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 17 SER OG : rot 76:sc= 2.08 USER MOD Set 1.2: A 48 THR OG1 : rot -23:sc= 0.988 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0484 (180deg=-0.329) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0567 (180deg=-0.44) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 6 THR OG1 : rot 20:sc= 1.25 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 21 THR OG1 : rot -110:sc= -0.605 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 122:sc= 1.25 USER MOD Single : A 40 TYR OH : rot 174:sc= -0.527 USER MOD Single : A 46 MET CE :methyl -137:sc= -0.862 (180deg=-3.14!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -135:sc= 0.369 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.359 USER MOD Single : A 79 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.5) USER MOD Single : A 87 SXV O33 : rot 150:sc= 0.00781 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.248 -11.020 -3.944 1.00 2.87 N ATOM 2 CA MET A 1 18.363 -10.149 -3.548 1.00 2.67 C ATOM 3 C MET A 1 17.789 -8.878 -2.964 1.00 2.47 C ATOM 4 O MET A 1 17.942 -8.601 -1.770 1.00 2.83 O ATOM 5 CB MET A 1 19.281 -9.859 -4.749 1.00 3.14 C ATOM 6 CG MET A 1 19.907 -11.113 -5.350 1.00 3.63 C ATOM 7 SD MET A 1 20.866 -10.795 -6.847 1.00 4.48 S ATOM 8 CE MET A 1 22.143 -9.716 -6.220 1.00 5.01 C ATOM 0 H1 MET A 1 17.589 -11.998 -4.042 1.00 2.87 H new ATOM 0 H2 MET A 1 16.504 -10.984 -3.218 1.00 2.87 H new ATOM 0 H3 MET A 1 16.860 -10.696 -4.853 1.00 2.87 H new ATOM 0 HA MET A 1 18.978 -10.644 -2.796 1.00 2.67 H new ATOM 0 HB2 MET A 1 18.707 -9.344 -5.519 1.00 3.14 H new ATOM 0 HB3 MET A 1 20.074 -9.181 -4.435 1.00 3.14 H new ATOM 0 HG2 MET A 1 20.554 -11.579 -4.606 1.00 3.63 H new ATOM 0 HG3 MET A 1 19.118 -11.829 -5.579 1.00 3.63 H new ATOM 0 HE1 MET A 1 22.944 -9.634 -6.955 1.00 5.01 H new ATOM 0 HE2 MET A 1 21.723 -8.728 -6.029 1.00 5.01 H new ATOM 0 HE3 MET A 1 22.542 -10.126 -5.292 1.00 5.01 H new ATOM 20 N ALA A 2 17.122 -8.110 -3.788 1.00 2.15 N ATOM 21 CA ALA A 2 16.384 -6.969 -3.326 1.00 2.02 C ATOM 22 C ALA A 2 15.011 -7.481 -2.991 1.00 1.59 C ATOM 23 O ALA A 2 14.277 -7.929 -3.887 1.00 1.59 O ATOM 24 CB ALA A 2 16.308 -5.897 -4.409 1.00 2.33 C ATOM 0 H ALA A 2 17.077 -8.260 -4.796 1.00 2.15 H new ATOM 0 HA ALA A 2 16.863 -6.507 -2.463 1.00 2.02 H new ATOM 0 HB1 ALA A 2 15.744 -5.042 -4.036 1.00 2.33 H new ATOM 0 HB2 ALA A 2 17.315 -5.578 -4.677 1.00 2.33 H new ATOM 0 HB3 ALA A 2 15.810 -6.304 -5.289 1.00 2.33 H new ATOM 30 N THR A 3 14.698 -7.513 -1.728 1.00 1.52 N ATOM 31 CA THR A 3 13.459 -8.063 -1.287 1.00 1.28 C ATOM 32 C THR A 3 12.311 -7.139 -1.661 1.00 1.04 C ATOM 33 O THR A 3 12.124 -6.079 -1.073 1.00 1.23 O ATOM 34 CB THR A 3 13.522 -8.214 0.215 1.00 1.66 C ATOM 35 OG1 THR A 3 14.769 -8.854 0.562 1.00 2.10 O ATOM 36 CG2 THR A 3 12.361 -9.051 0.739 1.00 2.36 C ATOM 0 H THR A 3 15.295 -7.159 -0.981 1.00 1.52 H new ATOM 0 HA THR A 3 13.290 -9.030 -1.762 1.00 1.28 H new ATOM 0 HB THR A 3 13.455 -7.225 0.669 1.00 1.66 H new ATOM 0 HG1 THR A 3 14.824 -8.957 1.535 1.00 2.10 H new ATOM 0 HG21 THR A 3 12.437 -9.140 1.823 1.00 2.36 H new ATOM 0 HG22 THR A 3 11.419 -8.569 0.479 1.00 2.36 H new ATOM 0 HG23 THR A 3 12.396 -10.044 0.290 1.00 2.36 H new ATOM 44 N LEU A 4 11.574 -7.541 -2.656 1.00 0.77 N ATOM 45 CA LEU A 4 10.461 -6.783 -3.130 1.00 0.59 C ATOM 46 C LEU A 4 9.205 -7.470 -2.698 1.00 0.58 C ATOM 47 O LEU A 4 9.013 -8.648 -2.998 1.00 0.79 O ATOM 48 CB LEU A 4 10.480 -6.684 -4.659 1.00 0.63 C ATOM 49 CG LEU A 4 11.733 -6.087 -5.301 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.570 -6.025 -6.807 1.00 0.86 C ATOM 51 CD2 LEU A 4 12.030 -4.706 -4.740 1.00 0.64 C ATOM 0 H LEU A 4 11.733 -8.412 -3.163 1.00 0.77 H new ATOM 0 HA LEU A 4 10.513 -5.775 -2.719 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.336 -7.685 -5.065 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.623 -6.087 -4.970 1.00 0.63 H new ATOM 0 HG LEU A 4 12.578 -6.733 -5.065 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.468 -5.598 -7.253 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.413 -7.030 -7.198 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.711 -5.402 -7.055 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.926 -4.306 -5.214 1.00 0.64 H new ATOM 0 HD22 LEU A 4 11.187 -4.044 -4.939 1.00 0.64 H new ATOM 0 HD23 LEU A 4 12.190 -4.777 -3.664 1.00 0.64 H new ATOM 63 N LEU A 5 8.367 -6.764 -1.982 1.00 0.53 N ATOM 64 CA LEU A 5 7.123 -7.322 -1.542 1.00 0.58 C ATOM 65 C LEU A 5 6.159 -7.459 -2.706 1.00 0.47 C ATOM 66 O LEU A 5 6.293 -6.753 -3.728 1.00 0.54 O ATOM 67 CB LEU A 5 6.535 -6.556 -0.322 1.00 0.85 C ATOM 68 CG LEU A 5 6.277 -5.035 -0.419 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.126 -4.693 -1.346 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.007 -4.478 0.960 1.00 1.27 C ATOM 0 H LEU A 5 8.528 -5.799 -1.693 1.00 0.53 H new ATOM 0 HA LEU A 5 7.308 -8.331 -1.172 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.587 -7.030 -0.067 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.209 -6.718 0.519 1.00 0.85 H new ATOM 0 HG LEU A 5 7.173 -4.581 -0.842 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.991 -3.612 -1.375 1.00 0.85 H new ATOM 0 HD12 LEU A 5 5.346 -5.058 -2.349 1.00 0.85 H new ATOM 0 HD13 LEU A 5 4.213 -5.163 -0.981 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.825 -3.406 0.890 1.00 1.27 H new ATOM 0 HD22 LEU A 5 5.131 -4.968 1.385 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.870 -4.659 1.601 1.00 1.27 H new ATOM 82 N THR A 6 5.232 -8.346 -2.567 1.00 0.43 N ATOM 83 CA THR A 6 4.313 -8.665 -3.607 1.00 0.48 C ATOM 84 C THR A 6 2.866 -8.328 -3.246 1.00 0.49 C ATOM 85 O THR A 6 2.611 -7.632 -2.247 1.00 0.52 O ATOM 86 CB THR A 6 4.473 -10.130 -4.055 1.00 0.58 C ATOM 87 OG1 THR A 6 4.541 -11.016 -2.905 1.00 0.64 O ATOM 88 CG2 THR A 6 5.724 -10.290 -4.901 1.00 0.76 C ATOM 0 H THR A 6 5.089 -8.880 -1.710 1.00 0.43 H new ATOM 0 HA THR A 6 4.561 -8.028 -4.456 1.00 0.48 H new ATOM 0 HB THR A 6 3.601 -10.398 -4.652 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.161 -10.566 -2.122 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.824 -11.331 -5.210 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.650 -9.655 -5.784 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.598 -10.000 -4.317 1.00 0.76 H new ATOM 96 N THR A 7 1.938 -8.798 -4.066 1.00 0.56 N ATOM 97 CA THR A 7 0.527 -8.550 -3.901 1.00 0.62 C ATOM 98 C THR A 7 0.012 -8.939 -2.518 1.00 0.64 C ATOM 99 O THR A 7 -0.559 -8.105 -1.834 1.00 0.73 O ATOM 100 CB THR A 7 -0.260 -9.269 -5.005 1.00 0.74 C ATOM 101 OG1 THR A 7 0.304 -10.577 -5.235 1.00 1.34 O ATOM 102 CG2 THR A 7 -0.236 -8.465 -6.292 1.00 1.19 C ATOM 0 H THR A 7 2.157 -9.374 -4.879 1.00 0.56 H new ATOM 0 HA THR A 7 0.373 -7.474 -3.988 1.00 0.62 H new ATOM 0 HB THR A 7 -1.295 -9.372 -4.681 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.203 -11.033 -5.939 1.00 1.34 H new ATOM 0 HG21 THR A 7 -0.800 -8.993 -7.061 1.00 1.19 H new ATOM 0 HG22 THR A 7 -0.686 -7.487 -6.119 1.00 1.19 H new ATOM 0 HG23 THR A 7 0.795 -8.337 -6.622 1.00 1.19 H new ATOM 110 N ASP A 8 0.239 -10.185 -2.093 1.00 0.65 N ATOM 111 CA ASP A 8 -0.256 -10.657 -0.778 1.00 0.71 C ATOM 112 C ASP A 8 0.295 -9.853 0.383 1.00 0.65 C ATOM 113 O ASP A 8 -0.390 -9.667 1.383 1.00 0.69 O ATOM 114 CB ASP A 8 -0.026 -12.156 -0.545 1.00 0.86 C ATOM 115 CG ASP A 8 -1.028 -13.041 -1.260 1.00 1.61 C ATOM 116 OD1 ASP A 8 -0.798 -13.392 -2.442 1.00 2.44 O ATOM 117 OD2 ASP A 8 -2.071 -13.395 -0.660 1.00 1.74 O ATOM 0 H ASP A 8 0.755 -10.885 -2.626 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.333 -10.494 -0.817 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.979 -12.417 -0.877 1.00 0.86 H new ATOM 0 HB3 ASP A 8 -0.071 -12.360 0.525 1.00 0.86 H new ATOM 122 N ASP A 9 1.512 -9.358 0.238 1.00 0.60 N ATOM 123 CA ASP A 9 2.152 -8.520 1.264 1.00 0.61 C ATOM 124 C ASP A 9 1.332 -7.255 1.448 1.00 0.56 C ATOM 125 O ASP A 9 0.879 -6.938 2.556 1.00 0.62 O ATOM 126 CB ASP A 9 3.567 -8.100 0.836 1.00 0.64 C ATOM 127 CG ASP A 9 4.499 -9.243 0.515 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.257 -9.980 -0.449 1.00 1.32 O ATOM 129 OD2 ASP A 9 5.447 -9.487 1.291 1.00 2.06 O ATOM 0 H ASP A 9 2.091 -9.519 -0.587 1.00 0.60 H new ATOM 0 HA ASP A 9 2.210 -9.099 2.186 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.490 -7.456 -0.040 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.010 -7.502 1.633 1.00 0.64 H new ATOM 134 N LEU A 10 1.105 -6.562 0.334 1.00 0.52 N ATOM 135 CA LEU A 10 0.341 -5.317 0.315 1.00 0.51 C ATOM 136 C LEU A 10 -1.120 -5.586 0.694 1.00 0.52 C ATOM 137 O LEU A 10 -1.735 -4.819 1.423 1.00 0.58 O ATOM 138 CB LEU A 10 0.433 -4.672 -1.077 1.00 0.50 C ATOM 139 CG LEU A 10 -0.279 -3.326 -1.261 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.296 -2.275 -0.327 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.175 -2.867 -2.704 1.00 0.56 C ATOM 0 H LEU A 10 1.447 -6.849 -0.583 1.00 0.52 H new ATOM 0 HA LEU A 10 0.761 -4.627 1.047 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.487 -4.535 -1.320 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.027 -5.374 -1.805 1.00 0.50 H new ATOM 0 HG LEU A 10 -1.331 -3.461 -1.012 1.00 0.51 H new ATOM 0 HD11 LEU A 10 -0.226 -1.330 -0.477 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.170 -2.599 0.706 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.357 -2.141 -0.539 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.685 -1.911 -2.819 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.875 -2.754 -2.975 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.640 -3.607 -3.356 1.00 0.56 H new ATOM 153 N ARG A 11 -1.631 -6.703 0.213 1.00 0.51 N ATOM 154 CA ARG A 11 -2.984 -7.179 0.489 1.00 0.54 C ATOM 155 C ARG A 11 -3.214 -7.269 1.992 1.00 0.53 C ATOM 156 O ARG A 11 -4.140 -6.668 2.528 1.00 0.57 O ATOM 157 CB ARG A 11 -3.150 -8.565 -0.143 1.00 0.60 C ATOM 158 CG ARG A 11 -4.487 -9.236 0.064 1.00 0.82 C ATOM 159 CD ARG A 11 -4.459 -10.634 -0.526 1.00 0.98 C ATOM 160 NE ARG A 11 -5.739 -11.325 -0.390 1.00 1.50 N ATOM 161 CZ ARG A 11 -5.960 -12.606 -0.745 1.00 2.13 C ATOM 162 NH1 ARG A 11 -4.933 -13.413 -1.082 1.00 2.32 N ATOM 163 NH2 ARG A 11 -7.197 -13.088 -0.719 1.00 3.08 N ATOM 0 H ARG A 11 -1.105 -7.327 -0.399 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.711 -6.484 0.069 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -2.973 -8.476 -1.215 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.373 -9.218 0.255 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.718 -9.285 1.128 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.275 -8.649 -0.407 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -4.193 -10.574 -1.581 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -3.681 -11.217 -0.033 1.00 0.98 H new ATOM 0 HE ARG A 11 -6.521 -10.800 0.002 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -3.978 -13.055 -1.070 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -5.112 -14.381 -1.349 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -7.972 -12.490 -0.432 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -7.373 -14.057 -0.986 1.00 3.08 H new ATOM 177 N ARG A 12 -2.330 -7.969 2.669 1.00 0.54 N ATOM 178 CA ARG A 12 -2.452 -8.161 4.099 1.00 0.59 C ATOM 179 C ARG A 12 -2.205 -6.861 4.853 1.00 0.61 C ATOM 180 O ARG A 12 -2.815 -6.620 5.873 1.00 0.66 O ATOM 181 CB ARG A 12 -1.543 -9.294 4.575 1.00 0.72 C ATOM 182 CG ARG A 12 -1.933 -10.641 3.974 1.00 0.94 C ATOM 183 CD ARG A 12 -0.950 -11.738 4.326 1.00 1.09 C ATOM 184 NE ARG A 12 -0.897 -12.018 5.758 1.00 1.71 N ATOM 185 CZ ARG A 12 -0.089 -12.912 6.340 1.00 2.06 C ATOM 186 NH1 ARG A 12 0.779 -13.620 5.613 1.00 1.90 N ATOM 187 NH2 ARG A 12 -0.158 -13.091 7.648 1.00 3.10 N ATOM 0 H ARG A 12 -1.515 -8.417 2.250 1.00 0.54 H new ATOM 0 HA ARG A 12 -3.477 -8.459 4.320 1.00 0.59 H new ATOM 0 HB2 ARG A 12 -0.511 -9.065 4.309 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -1.585 -9.358 5.662 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -2.926 -10.920 4.328 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -1.996 -10.547 2.890 1.00 0.94 H new ATOM 0 HD2 ARG A 12 -1.224 -12.649 3.793 1.00 1.09 H new ATOM 0 HD3 ARG A 12 0.044 -11.453 3.980 1.00 1.09 H new ATOM 0 HE ARG A 12 -1.526 -11.490 6.363 1.00 1.71 H new ATOM 0 HH11 ARG A 12 0.831 -13.482 4.604 1.00 1.90 H new ATOM 0 HH12 ARG A 12 1.390 -14.299 6.067 1.00 1.90 H new ATOM 0 HH21 ARG A 12 -0.822 -12.551 8.202 1.00 3.10 H new ATOM 0 HH22 ARG A 12 0.453 -13.770 8.103 1.00 3.10 H new ATOM 201 N ALA A 13 -1.351 -6.005 4.308 1.00 0.66 N ATOM 202 CA ALA A 13 -1.091 -4.694 4.900 1.00 0.77 C ATOM 203 C ALA A 13 -2.345 -3.813 4.838 1.00 0.66 C ATOM 204 O ALA A 13 -2.611 -3.008 5.747 1.00 0.70 O ATOM 205 CB ALA A 13 0.061 -4.015 4.204 1.00 0.95 C ATOM 0 H ALA A 13 -0.824 -6.193 3.455 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.824 -4.842 5.946 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.238 -3.041 4.660 1.00 0.95 H new ATOM 0 HB2 ALA A 13 0.957 -4.629 4.300 1.00 0.95 H new ATOM 0 HB3 ALA A 13 -0.178 -3.884 3.149 1.00 0.95 H new ATOM 211 N LEU A 14 -3.117 -3.968 3.767 1.00 0.58 N ATOM 212 CA LEU A 14 -4.381 -3.267 3.639 1.00 0.57 C ATOM 213 C LEU A 14 -5.358 -3.779 4.687 1.00 0.56 C ATOM 214 O LEU A 14 -6.104 -3.008 5.274 1.00 0.77 O ATOM 215 CB LEU A 14 -4.974 -3.401 2.226 1.00 0.59 C ATOM 216 CG LEU A 14 -4.186 -2.743 1.082 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.857 -3.014 -0.249 1.00 1.09 C ATOM 218 CD2 LEU A 14 -4.069 -1.245 1.301 1.00 1.40 C ATOM 0 H LEU A 14 -2.886 -4.573 2.979 1.00 0.58 H new ATOM 0 HA LEU A 14 -4.198 -2.205 3.805 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -5.079 -4.462 2.000 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -5.978 -2.976 2.236 1.00 0.59 H new ATOM 0 HG LEU A 14 -3.185 -3.175 1.071 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -4.286 -2.541 -1.048 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -4.901 -4.089 -0.422 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -5.868 -2.607 -0.236 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -3.508 -0.800 0.479 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -5.065 -0.804 1.341 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -3.550 -1.054 2.240 1.00 1.40 H new ATOM 230 N VAL A 15 -5.315 -5.075 4.945 1.00 0.46 N ATOM 231 CA VAL A 15 -6.134 -5.684 5.993 1.00 0.49 C ATOM 232 C VAL A 15 -5.732 -5.083 7.351 1.00 0.52 C ATOM 233 O VAL A 15 -6.593 -4.707 8.160 1.00 0.66 O ATOM 234 CB VAL A 15 -5.956 -7.234 6.024 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.806 -7.863 7.120 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.312 -7.843 4.677 1.00 0.59 C ATOM 0 H VAL A 15 -4.720 -5.734 4.443 1.00 0.46 H new ATOM 0 HA VAL A 15 -7.183 -5.475 5.784 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.908 -7.442 6.239 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.662 -8.943 7.118 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.509 -7.459 8.088 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.857 -7.637 6.940 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -6.181 -8.924 4.720 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.350 -7.613 4.436 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.661 -7.429 3.907 1.00 0.59 H new ATOM 246 N GLU A 16 -4.417 -4.967 7.571 1.00 0.48 N ATOM 247 CA GLU A 16 -3.842 -4.363 8.783 1.00 0.54 C ATOM 248 C GLU A 16 -4.358 -2.945 9.015 1.00 0.51 C ATOM 249 O GLU A 16 -4.501 -2.506 10.152 1.00 0.63 O ATOM 250 CB GLU A 16 -2.316 -4.307 8.688 1.00 0.64 C ATOM 251 CG GLU A 16 -1.668 -5.658 8.573 1.00 0.83 C ATOM 252 CD GLU A 16 -1.835 -6.513 9.798 1.00 1.12 C ATOM 253 OE1 GLU A 16 -2.849 -7.226 9.889 1.00 1.94 O ATOM 254 OE2 GLU A 16 -1.010 -6.462 10.712 1.00 1.14 O ATOM 0 H GLU A 16 -3.714 -5.292 6.908 1.00 0.48 H new ATOM 0 HA GLU A 16 -4.147 -4.994 9.618 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -2.036 -3.705 7.823 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.924 -3.800 9.570 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.089 -6.182 7.715 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -0.604 -5.526 8.375 1.00 0.83 H new ATOM 261 N SER A 17 -4.650 -2.257 7.939 1.00 0.49 N ATOM 262 CA SER A 17 -5.066 -0.881 8.002 1.00 0.58 C ATOM 263 C SER A 17 -6.589 -0.751 8.113 1.00 0.66 C ATOM 264 O SER A 17 -7.103 -0.166 9.075 1.00 0.98 O ATOM 265 CB SER A 17 -4.564 -0.171 6.761 1.00 0.62 C ATOM 266 OG SER A 17 -3.177 -0.414 6.595 1.00 1.38 O ATOM 0 H SER A 17 -4.605 -2.638 6.994 1.00 0.49 H new ATOM 0 HA SER A 17 -4.643 -0.425 8.897 1.00 0.58 H new ATOM 0 HB2 SER A 17 -5.111 -0.520 5.885 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.747 0.900 6.845 1.00 0.62 H new ATOM 0 HG SER A 17 -3.043 -1.323 6.253 1.00 1.38 H new ATOM 272 N ALA A 18 -7.299 -1.335 7.163 1.00 0.65 N ATOM 273 CA ALA A 18 -8.750 -1.201 7.070 1.00 0.88 C ATOM 274 C ALA A 18 -9.483 -1.925 8.189 1.00 0.85 C ATOM 275 O ALA A 18 -10.621 -1.575 8.526 1.00 1.04 O ATOM 276 CB ALA A 18 -9.237 -1.699 5.721 1.00 1.13 C ATOM 0 H ALA A 18 -6.889 -1.917 6.432 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.976 -0.140 7.176 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.320 -1.594 5.664 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.773 -1.113 4.928 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.967 -2.748 5.602 1.00 1.13 H new ATOM 282 N GLY A 19 -8.851 -2.928 8.764 1.00 0.79 N ATOM 283 CA GLY A 19 -9.493 -3.700 9.803 1.00 0.97 C ATOM 284 C GLY A 19 -10.385 -4.736 9.181 1.00 1.18 C ATOM 285 O GLY A 19 -10.030 -5.918 9.112 1.00 1.57 O ATOM 0 H GLY A 19 -7.903 -3.224 8.531 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -8.742 -4.181 10.430 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -10.076 -3.044 10.450 1.00 0.97 H new ATOM 289 N GLU A 20 -11.509 -4.286 8.687 1.00 1.43 N ATOM 290 CA GLU A 20 -12.409 -5.121 7.965 1.00 1.75 C ATOM 291 C GLU A 20 -12.037 -5.030 6.497 1.00 1.79 C ATOM 292 O GLU A 20 -11.720 -3.953 5.988 1.00 2.30 O ATOM 293 CB GLU A 20 -13.876 -4.708 8.183 1.00 2.40 C ATOM 294 CG GLU A 20 -14.195 -3.264 7.808 1.00 3.14 C ATOM 295 CD GLU A 20 -15.665 -2.958 7.894 1.00 3.62 C ATOM 296 OE1 GLU A 20 -16.183 -2.748 9.026 1.00 3.97 O ATOM 297 OE2 GLU A 20 -16.338 -2.934 6.857 1.00 4.15 O ATOM 0 H GLU A 20 -11.820 -3.319 8.780 1.00 1.43 H new ATOM 0 HA GLU A 20 -12.324 -6.147 8.323 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -14.516 -5.370 7.600 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -14.130 -4.861 9.232 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -13.648 -2.591 8.468 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -13.845 -3.070 6.794 1.00 3.14 H new ATOM 304 N THR A 21 -11.983 -6.131 5.852 1.00 1.91 N ATOM 305 CA THR A 21 -11.651 -6.176 4.465 1.00 2.43 C ATOM 306 C THR A 21 -12.492 -7.276 3.807 1.00 2.45 C ATOM 307 O THR A 21 -11.979 -8.229 3.212 1.00 3.06 O ATOM 308 CB THR A 21 -10.117 -6.416 4.284 1.00 3.22 C ATOM 309 OG1 THR A 21 -9.407 -5.486 5.123 1.00 3.77 O ATOM 310 CG2 THR A 21 -9.685 -6.169 2.844 1.00 3.83 C ATOM 0 H THR A 21 -12.169 -7.043 6.269 1.00 1.91 H new ATOM 0 HA THR A 21 -11.877 -5.226 3.982 1.00 2.43 H new ATOM 0 HB THR A 21 -9.897 -7.450 4.549 1.00 3.22 H new ATOM 0 HG1 THR A 21 -8.956 -4.819 4.564 1.00 3.77 H new ATOM 0 HG21 THR A 21 -8.613 -6.344 2.751 1.00 3.83 H new ATOM 0 HG22 THR A 21 -10.223 -6.847 2.181 1.00 3.83 H new ATOM 0 HG23 THR A 21 -9.910 -5.139 2.568 1.00 3.83 H new ATOM 318 N ASP A 22 -13.794 -7.158 3.981 1.00 2.17 N ATOM 319 CA ASP A 22 -14.738 -8.110 3.410 1.00 2.48 C ATOM 320 C ASP A 22 -15.471 -7.448 2.266 1.00 2.10 C ATOM 321 O ASP A 22 -15.608 -8.010 1.196 1.00 2.55 O ATOM 322 CB ASP A 22 -15.744 -8.592 4.462 1.00 3.04 C ATOM 323 CG ASP A 22 -16.669 -9.678 3.939 1.00 3.67 C ATOM 324 OD1 ASP A 22 -17.739 -9.341 3.390 1.00 3.96 O ATOM 325 OD2 ASP A 22 -16.337 -10.882 4.048 1.00 4.25 O ATOM 0 H ASP A 22 -14.229 -6.407 4.517 1.00 2.17 H new ATOM 0 HA ASP A 22 -14.186 -8.979 3.051 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -15.203 -8.969 5.330 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -16.341 -7.746 4.802 1.00 3.04 H new ATOM 330 N GLY A 23 -15.866 -6.200 2.481 1.00 1.96 N ATOM 331 CA GLY A 23 -16.573 -5.431 1.462 1.00 2.00 C ATOM 332 C GLY A 23 -15.592 -4.662 0.615 1.00 1.94 C ATOM 333 O GLY A 23 -15.913 -3.663 -0.015 1.00 2.20 O ATOM 0 H GLY A 23 -15.709 -5.696 3.354 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -17.160 -6.100 0.834 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -17.273 -4.743 1.936 1.00 2.00 H new ATOM 337 N THR A 24 -14.389 -5.114 0.667 1.00 1.83 N ATOM 338 CA THR A 24 -13.289 -4.592 -0.054 1.00 1.80 C ATOM 339 C THR A 24 -12.496 -5.815 -0.511 1.00 1.84 C ATOM 340 O THR A 24 -11.738 -6.407 0.259 1.00 1.90 O ATOM 341 CB THR A 24 -12.450 -3.694 0.886 1.00 1.83 C ATOM 342 OG1 THR A 24 -13.319 -2.701 1.471 1.00 1.96 O ATOM 343 CG2 THR A 24 -11.345 -2.987 0.123 1.00 1.85 C ATOM 0 H THR A 24 -14.134 -5.909 1.253 1.00 1.83 H new ATOM 0 HA THR A 24 -13.585 -3.979 -0.905 1.00 1.80 H new ATOM 0 HB THR A 24 -11.996 -4.319 1.655 1.00 1.83 H new ATOM 0 HG1 THR A 24 -12.800 -2.125 2.071 1.00 1.96 H new ATOM 0 HG21 THR A 24 -10.771 -2.363 0.808 1.00 1.85 H new ATOM 0 HG22 THR A 24 -10.686 -3.727 -0.332 1.00 1.85 H new ATOM 0 HG23 THR A 24 -11.783 -2.363 -0.656 1.00 1.85 H new ATOM 351 N ASP A 25 -12.804 -6.264 -1.695 1.00 1.96 N ATOM 352 CA ASP A 25 -12.248 -7.489 -2.243 1.00 2.09 C ATOM 353 C ASP A 25 -10.868 -7.272 -2.844 1.00 1.62 C ATOM 354 O ASP A 25 -10.704 -6.570 -3.844 1.00 1.86 O ATOM 355 CB ASP A 25 -13.198 -8.101 -3.268 1.00 2.69 C ATOM 356 CG ASP A 25 -12.668 -9.378 -3.873 1.00 3.10 C ATOM 357 OD1 ASP A 25 -12.651 -10.411 -3.185 1.00 3.40 O ATOM 358 OD2 ASP A 25 -12.244 -9.371 -5.050 1.00 3.55 O ATOM 0 H ASP A 25 -13.455 -5.791 -2.322 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.131 -8.190 -1.416 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -14.158 -8.302 -2.792 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -13.382 -7.378 -4.062 1.00 2.69 H new ATOM 363 N LEU A 26 -9.883 -7.862 -2.205 1.00 1.28 N ATOM 364 CA LEU A 26 -8.477 -7.774 -2.620 1.00 0.95 C ATOM 365 C LEU A 26 -8.035 -9.062 -3.281 1.00 1.02 C ATOM 366 O LEU A 26 -6.858 -9.253 -3.588 1.00 1.36 O ATOM 367 CB LEU A 26 -7.590 -7.513 -1.406 1.00 1.16 C ATOM 368 CG LEU A 26 -7.405 -6.065 -0.923 1.00 0.73 C ATOM 369 CD1 LEU A 26 -8.713 -5.313 -0.797 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.732 -6.108 0.410 1.00 1.05 C ATOM 0 H LEU A 26 -10.025 -8.428 -1.368 1.00 1.28 H new ATOM 0 HA LEU A 26 -8.384 -6.953 -3.331 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -7.992 -8.090 -0.573 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -6.602 -7.917 -1.626 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.807 -5.534 -1.664 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -8.517 -4.298 -0.452 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -9.207 -5.278 -1.768 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -9.357 -5.822 -0.080 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -6.588 -5.092 0.778 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.352 -6.664 1.113 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -5.764 -6.600 0.313 1.00 1.05 H new ATOM 382 N SER A 27 -8.972 -9.932 -3.458 1.00 1.03 N ATOM 383 CA SER A 27 -8.741 -11.229 -4.055 1.00 1.23 C ATOM 384 C SER A 27 -8.309 -11.102 -5.532 1.00 1.39 C ATOM 385 O SER A 27 -8.849 -10.281 -6.289 1.00 2.16 O ATOM 386 CB SER A 27 -10.014 -12.051 -3.944 1.00 1.77 C ATOM 387 OG SER A 27 -10.549 -11.953 -2.627 1.00 2.39 O ATOM 0 H SER A 27 -9.943 -9.770 -3.191 1.00 1.03 H new ATOM 0 HA SER A 27 -7.929 -11.724 -3.523 1.00 1.23 H new ATOM 0 HB2 SER A 27 -10.747 -11.699 -4.670 1.00 1.77 H new ATOM 0 HB3 SER A 27 -9.804 -13.094 -4.183 1.00 1.77 H new ATOM 0 HG SER A 27 -11.461 -11.596 -2.670 1.00 2.39 H new ATOM 393 N GLY A 28 -7.349 -11.910 -5.919 1.00 1.32 N ATOM 394 CA GLY A 28 -6.846 -11.900 -7.268 1.00 1.62 C ATOM 395 C GLY A 28 -5.914 -10.744 -7.502 1.00 1.42 C ATOM 396 O GLY A 28 -4.805 -10.695 -6.942 1.00 1.77 O ATOM 0 H GLY A 28 -6.898 -12.590 -5.307 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -6.324 -12.836 -7.469 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -7.680 -11.843 -7.968 1.00 1.62 H new ATOM 400 N ASP A 29 -6.334 -9.828 -8.333 1.00 1.39 N ATOM 401 CA ASP A 29 -5.581 -8.623 -8.577 1.00 1.21 C ATOM 402 C ASP A 29 -6.371 -7.450 -8.106 1.00 0.96 C ATOM 403 O ASP A 29 -7.475 -7.186 -8.588 1.00 1.17 O ATOM 404 CB ASP A 29 -5.223 -8.421 -10.049 1.00 1.44 C ATOM 405 CG ASP A 29 -4.415 -7.142 -10.256 1.00 1.84 C ATOM 406 OD1 ASP A 29 -3.169 -7.179 -10.188 1.00 2.28 O ATOM 407 OD2 ASP A 29 -5.021 -6.088 -10.524 1.00 2.30 O ATOM 0 H ASP A 29 -7.205 -9.894 -8.860 1.00 1.39 H new ATOM 0 HA ASP A 29 -4.643 -8.718 -8.029 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -4.650 -9.277 -10.406 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -6.135 -8.377 -10.644 1.00 1.44 H new ATOM 412 N PHE A 30 -5.836 -6.762 -7.166 1.00 0.73 N ATOM 413 CA PHE A 30 -6.478 -5.600 -6.637 1.00 0.56 C ATOM 414 C PHE A 30 -5.778 -4.341 -7.122 1.00 0.46 C ATOM 415 O PHE A 30 -6.117 -3.254 -6.736 1.00 0.43 O ATOM 416 CB PHE A 30 -6.555 -5.670 -5.098 1.00 0.53 C ATOM 417 CG PHE A 30 -5.228 -5.785 -4.384 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.548 -6.995 -4.326 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.667 -4.685 -3.771 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.340 -7.096 -3.672 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.460 -4.780 -3.117 1.00 0.68 C ATOM 422 CZ PHE A 30 -2.795 -5.985 -3.067 1.00 0.83 C ATOM 0 H PHE A 30 -4.938 -6.983 -6.735 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.503 -5.564 -7.005 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.066 -4.778 -4.736 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.172 -6.525 -4.821 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -4.972 -7.868 -4.800 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.182 -3.736 -3.804 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -2.822 -8.043 -3.634 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.034 -3.909 -2.642 1.00 0.68 H new ATOM 0 HZ PHE A 30 -1.847 -6.059 -2.554 1.00 0.83 H new ATOM 432 N LEU A 31 -4.836 -4.513 -8.029 1.00 0.49 N ATOM 433 CA LEU A 31 -4.059 -3.405 -8.563 1.00 0.49 C ATOM 434 C LEU A 31 -4.864 -2.628 -9.576 1.00 0.49 C ATOM 435 O LEU A 31 -4.661 -1.433 -9.749 1.00 0.58 O ATOM 436 CB LEU A 31 -2.743 -3.889 -9.200 1.00 0.59 C ATOM 437 CG LEU A 31 -1.568 -4.241 -8.265 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.912 -5.328 -7.270 1.00 1.08 C ATOM 439 CD2 LEU A 31 -0.361 -4.645 -9.088 1.00 1.85 C ATOM 0 H LEU A 31 -4.586 -5.422 -8.418 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.811 -2.751 -7.727 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.968 -4.771 -9.799 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -2.401 -3.115 -9.888 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.340 -3.347 -7.684 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -1.046 -5.532 -6.640 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -2.745 -5.001 -6.647 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -2.193 -6.235 -7.805 1.00 1.08 H new ATOM 0 HD21 LEU A 31 0.466 -4.893 -8.423 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -0.610 -5.514 -9.697 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -0.070 -3.819 -9.737 1.00 1.85 H new ATOM 451 N ASP A 32 -5.766 -3.324 -10.246 1.00 0.49 N ATOM 452 CA ASP A 32 -6.648 -2.717 -11.244 1.00 0.67 C ATOM 453 C ASP A 32 -7.706 -1.805 -10.608 1.00 0.57 C ATOM 454 O ASP A 32 -8.154 -0.822 -11.221 1.00 0.74 O ATOM 455 CB ASP A 32 -7.320 -3.803 -12.097 1.00 0.94 C ATOM 456 CG ASP A 32 -8.291 -3.235 -13.111 1.00 1.76 C ATOM 457 OD1 ASP A 32 -7.844 -2.646 -14.124 1.00 2.27 O ATOM 458 OD2 ASP A 32 -9.513 -3.362 -12.925 1.00 2.55 O ATOM 0 H ASP A 32 -5.912 -4.325 -10.118 1.00 0.49 H new ATOM 0 HA ASP A 32 -6.027 -2.092 -11.885 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -6.553 -4.377 -12.617 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -7.849 -4.497 -11.443 1.00 0.94 H new ATOM 463 N LEU A 33 -8.088 -2.109 -9.384 1.00 0.51 N ATOM 464 CA LEU A 33 -9.100 -1.330 -8.697 1.00 0.60 C ATOM 465 C LEU A 33 -8.456 -0.151 -7.981 1.00 0.50 C ATOM 466 O LEU A 33 -7.234 -0.091 -7.869 1.00 0.60 O ATOM 467 CB LEU A 33 -9.967 -2.225 -7.753 1.00 0.85 C ATOM 468 CG LEU A 33 -9.280 -3.022 -6.621 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.857 -2.133 -5.454 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.190 -4.134 -6.139 1.00 1.12 C ATOM 0 H LEU A 33 -7.714 -2.889 -8.844 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.793 -0.920 -9.432 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.718 -1.583 -7.292 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.500 -2.940 -8.379 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.369 -3.454 -7.036 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.380 -2.743 -4.687 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.154 -1.379 -5.807 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.735 -1.642 -5.034 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -9.696 -4.689 -5.342 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.119 -3.706 -5.762 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.411 -4.808 -6.967 1.00 1.12 H new ATOM 482 N ARG A 34 -9.244 0.791 -7.517 1.00 0.50 N ATOM 483 CA ARG A 34 -8.660 1.933 -6.839 1.00 0.51 C ATOM 484 C ARG A 34 -9.216 2.116 -5.459 1.00 0.47 C ATOM 485 O ARG A 34 -10.303 1.635 -5.141 1.00 0.58 O ATOM 486 CB ARG A 34 -8.813 3.231 -7.608 1.00 0.67 C ATOM 487 CG ARG A 34 -8.254 3.224 -9.000 1.00 0.85 C ATOM 488 CD ARG A 34 -7.900 4.623 -9.439 1.00 0.93 C ATOM 489 NE ARG A 34 -9.005 5.597 -9.306 1.00 1.72 N ATOM 490 CZ ARG A 34 -8.968 6.835 -9.830 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.995 7.164 -10.673 1.00 1.66 N ATOM 492 NH2 ARG A 34 -9.914 7.728 -9.539 1.00 3.07 N ATOM 0 H ARG A 34 -10.261 0.796 -7.591 1.00 0.50 H new ATOM 0 HA ARG A 34 -7.597 1.701 -6.774 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -9.873 3.479 -7.662 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -8.328 4.027 -7.044 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -7.368 2.590 -9.038 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -8.983 2.795 -9.688 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -7.050 4.972 -8.852 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -7.579 4.595 -10.480 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.838 5.315 -8.790 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -7.281 6.479 -10.920 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -7.962 8.102 -11.073 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -10.678 7.476 -8.912 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -9.874 8.664 -9.943 1.00 3.07 H new ATOM 506 N PHE A 35 -8.493 2.876 -4.665 1.00 0.42 N ATOM 507 CA PHE A 35 -8.830 3.131 -3.281 1.00 0.42 C ATOM 508 C PHE A 35 -10.032 4.039 -3.186 1.00 0.53 C ATOM 509 O PHE A 35 -10.889 3.853 -2.333 1.00 0.61 O ATOM 510 CB PHE A 35 -7.643 3.748 -2.559 1.00 0.41 C ATOM 511 CG PHE A 35 -6.402 2.935 -2.690 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.279 1.717 -2.045 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.366 3.380 -3.479 1.00 0.44 C ATOM 514 CE1 PHE A 35 -5.132 0.965 -2.184 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.224 2.641 -3.624 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.102 1.430 -2.974 1.00 0.53 C ATOM 0 H PHE A 35 -7.638 3.343 -4.969 1.00 0.42 H new ATOM 0 HA PHE A 35 -9.078 2.183 -2.804 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -7.461 4.747 -2.956 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.886 3.864 -1.503 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -7.087 1.353 -1.428 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -5.456 4.327 -3.991 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -5.041 0.016 -1.676 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.419 3.005 -4.246 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.200 0.846 -3.084 1.00 0.53 H new ATOM 526 N GLU A 36 -10.097 4.997 -4.084 1.00 0.64 N ATOM 527 CA GLU A 36 -11.215 5.928 -4.176 1.00 0.83 C ATOM 528 C GLU A 36 -12.522 5.155 -4.373 1.00 0.92 C ATOM 529 O GLU A 36 -13.557 5.467 -3.782 1.00 1.05 O ATOM 530 CB GLU A 36 -10.976 6.847 -5.365 1.00 1.00 C ATOM 531 CG GLU A 36 -12.055 7.870 -5.613 1.00 1.56 C ATOM 532 CD GLU A 36 -11.773 8.673 -6.844 1.00 2.05 C ATOM 533 OE1 GLU A 36 -12.102 8.208 -7.960 1.00 2.39 O ATOM 534 OE2 GLU A 36 -11.228 9.807 -6.715 1.00 2.77 O ATOM 0 H GLU A 36 -9.370 5.159 -4.781 1.00 0.64 H new ATOM 0 HA GLU A 36 -11.291 6.512 -3.259 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -10.030 7.369 -5.216 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -10.865 6.235 -6.260 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -13.017 7.368 -5.716 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -12.133 8.535 -4.753 1.00 1.56 H new ATOM 541 N ASP A 37 -12.438 4.122 -5.173 1.00 0.92 N ATOM 542 CA ASP A 37 -13.574 3.295 -5.507 1.00 1.07 C ATOM 543 C ASP A 37 -13.983 2.395 -4.348 1.00 1.02 C ATOM 544 O ASP A 37 -15.165 2.263 -4.047 1.00 1.20 O ATOM 545 CB ASP A 37 -13.248 2.463 -6.730 1.00 1.17 C ATOM 546 CG ASP A 37 -14.369 1.559 -7.147 1.00 1.39 C ATOM 547 OD1 ASP A 37 -15.302 2.027 -7.806 1.00 1.64 O ATOM 548 OD2 ASP A 37 -14.358 0.369 -6.771 1.00 1.99 O ATOM 0 H ASP A 37 -11.569 3.827 -5.617 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.419 3.949 -5.720 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -12.999 3.128 -7.557 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -12.362 1.862 -6.526 1.00 1.17 H new ATOM 553 N ILE A 38 -13.001 1.814 -3.671 1.00 0.85 N ATOM 554 CA ILE A 38 -13.269 0.898 -2.550 1.00 0.88 C ATOM 555 C ILE A 38 -13.429 1.630 -1.215 1.00 0.84 C ATOM 556 O ILE A 38 -13.403 1.004 -0.145 1.00 0.91 O ATOM 557 CB ILE A 38 -12.187 -0.210 -2.412 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.788 0.409 -2.185 1.00 0.66 C ATOM 559 CG2 ILE A 38 -12.196 -1.096 -3.639 1.00 0.97 C ATOM 560 CD1 ILE A 38 -9.652 -0.598 -2.062 1.00 0.68 C ATOM 0 H ILE A 38 -12.011 1.955 -3.872 1.00 0.85 H new ATOM 0 HA ILE A 38 -14.219 0.422 -2.795 1.00 0.88 H new ATOM 0 HB ILE A 38 -12.422 -0.821 -1.540 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.567 1.084 -3.012 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.817 1.014 -1.279 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -11.435 -1.870 -3.535 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -13.176 -1.562 -3.744 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.984 -0.495 -4.523 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -8.712 -0.069 -1.905 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -9.842 -1.259 -1.217 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -9.588 -1.188 -2.976 1.00 0.68 H new ATOM 572 N GLY A 39 -13.641 2.937 -1.297 1.00 0.81 N ATOM 573 CA GLY A 39 -13.841 3.774 -0.117 1.00 0.82 C ATOM 574 C GLY A 39 -12.688 3.683 0.855 1.00 0.71 C ATOM 575 O GLY A 39 -12.887 3.503 2.066 1.00 0.82 O ATOM 0 H GLY A 39 -13.679 3.447 -2.179 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -13.970 4.811 -0.428 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.761 3.475 0.386 1.00 0.82 H new ATOM 579 N TYR A 40 -11.500 3.786 0.339 1.00 0.56 N ATOM 580 CA TYR A 40 -10.318 3.662 1.128 1.00 0.48 C ATOM 581 C TYR A 40 -9.662 5.034 1.220 1.00 0.43 C ATOM 582 O TYR A 40 -9.457 5.704 0.193 1.00 0.50 O ATOM 583 CB TYR A 40 -9.378 2.667 0.444 1.00 0.51 C ATOM 584 CG TYR A 40 -8.557 1.823 1.376 1.00 0.52 C ATOM 585 CD1 TYR A 40 -7.423 2.353 1.969 1.00 0.60 C ATOM 586 CD2 TYR A 40 -8.899 0.513 1.666 1.00 0.67 C ATOM 587 CE1 TYR A 40 -6.647 1.606 2.818 1.00 0.79 C ATOM 588 CE2 TYR A 40 -8.128 -0.247 2.522 1.00 0.83 C ATOM 589 CZ TYR A 40 -7.084 0.228 3.093 1.00 0.88 C ATOM 590 OH TYR A 40 -6.228 -0.452 3.928 1.00 1.13 O ATOM 0 H TYR A 40 -11.326 3.960 -0.651 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.549 3.302 2.131 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.971 2.008 -0.191 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.704 3.219 -0.211 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -7.144 3.375 1.759 1.00 0.60 H new ATOM 0 HD2 TYR A 40 -9.781 0.080 1.217 1.00 0.67 H new ATOM 0 HE1 TYR A 40 -5.752 2.012 3.266 1.00 0.79 H new ATOM 0 HE2 TYR A 40 -8.413 -1.271 2.716 1.00 0.83 H new ATOM 0 HH TYR A 40 -6.617 -1.322 4.158 1.00 1.13 H new ATOM 600 N ASP A 41 -9.361 5.460 2.424 1.00 0.49 N ATOM 601 CA ASP A 41 -8.740 6.769 2.645 1.00 0.54 C ATOM 602 C ASP A 41 -7.251 6.695 2.500 1.00 0.52 C ATOM 603 O ASP A 41 -6.640 5.652 2.763 1.00 0.88 O ATOM 604 CB ASP A 41 -9.070 7.345 4.026 1.00 0.71 C ATOM 605 CG ASP A 41 -10.494 7.798 4.163 1.00 1.05 C ATOM 606 OD1 ASP A 41 -10.807 8.932 3.736 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.311 7.056 4.731 1.00 1.35 O ATOM 0 H ASP A 41 -9.532 4.926 3.276 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.154 7.430 1.883 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -8.863 6.590 4.784 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.408 8.188 4.227 1.00 0.71 H new ATOM 612 N SER A 42 -6.646 7.812 2.147 1.00 0.39 N ATOM 613 CA SER A 42 -5.219 7.867 1.959 1.00 0.48 C ATOM 614 C SER A 42 -4.528 7.767 3.317 1.00 0.42 C ATOM 615 O SER A 42 -3.419 7.275 3.428 1.00 0.43 O ATOM 616 CB SER A 42 -4.811 9.151 1.252 1.00 0.71 C ATOM 617 OG SER A 42 -4.930 10.273 2.163 1.00 0.98 O ATOM 0 H SER A 42 -7.128 8.696 1.985 1.00 0.39 H new ATOM 0 HA SER A 42 -4.914 7.030 1.331 1.00 0.48 H new ATOM 0 HB2 SER A 42 -3.785 9.069 0.894 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.442 9.312 0.378 1.00 0.71 H new ATOM 622 N LEU A 43 -5.214 8.234 4.358 1.00 0.46 N ATOM 623 CA LEU A 43 -4.716 8.119 5.721 1.00 0.52 C ATOM 624 C LEU A 43 -4.567 6.655 6.106 1.00 0.45 C ATOM 625 O LEU A 43 -3.611 6.273 6.789 1.00 0.53 O ATOM 626 CB LEU A 43 -5.633 8.839 6.711 1.00 0.66 C ATOM 627 CG LEU A 43 -5.680 10.362 6.599 1.00 0.83 C ATOM 628 CD1 LEU A 43 -6.692 10.926 7.576 1.00 1.02 C ATOM 629 CD2 LEU A 43 -4.307 10.952 6.877 1.00 0.97 C ATOM 0 H LEU A 43 -6.120 8.697 4.280 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.738 8.598 5.763 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -6.645 8.454 6.583 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -5.318 8.579 7.722 1.00 0.66 H new ATOM 0 HG LEU A 43 -5.980 10.628 5.585 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -6.717 12.012 7.487 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -7.679 10.521 7.352 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -6.409 10.651 8.592 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -4.354 12.038 6.794 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -3.990 10.678 7.883 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -3.591 10.563 6.153 1.00 0.97 H new ATOM 641 N ALA A 44 -5.482 5.833 5.625 1.00 0.40 N ATOM 642 CA ALA A 44 -5.419 4.411 5.874 1.00 0.39 C ATOM 643 C ALA A 44 -4.275 3.811 5.065 1.00 0.34 C ATOM 644 O ALA A 44 -3.617 2.888 5.501 1.00 0.38 O ATOM 645 CB ALA A 44 -6.743 3.747 5.544 1.00 0.43 C ATOM 0 H ALA A 44 -6.277 6.130 5.059 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.229 4.235 6.933 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.672 2.677 5.739 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.530 4.177 6.163 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -6.979 3.909 4.492 1.00 0.43 H new ATOM 651 N LEU A 45 -4.013 4.401 3.908 1.00 0.31 N ATOM 652 CA LEU A 45 -2.895 4.001 3.054 1.00 0.30 C ATOM 653 C LEU A 45 -1.565 4.357 3.702 1.00 0.29 C ATOM 654 O LEU A 45 -0.578 3.648 3.546 1.00 0.30 O ATOM 655 CB LEU A 45 -3.003 4.662 1.683 1.00 0.32 C ATOM 656 CG LEU A 45 -4.198 4.241 0.851 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.259 5.040 -0.435 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.098 2.765 0.547 1.00 0.36 C ATOM 0 H LEU A 45 -4.567 5.170 3.531 1.00 0.31 H new ATOM 0 HA LEU A 45 -2.940 2.919 2.926 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.040 5.743 1.821 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.095 4.444 1.121 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.112 4.434 1.413 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.123 4.724 -1.019 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.348 6.101 -0.200 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.350 4.871 -1.012 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -4.956 2.458 -0.051 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.180 2.569 -0.007 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.086 2.201 1.480 1.00 0.36 H new ATOM 670 N MET A 46 -1.544 5.458 4.435 1.00 0.30 N ATOM 671 CA MET A 46 -0.350 5.872 5.172 1.00 0.31 C ATOM 672 C MET A 46 -0.108 4.894 6.305 1.00 0.33 C ATOM 673 O MET A 46 1.020 4.635 6.691 1.00 0.37 O ATOM 674 CB MET A 46 -0.501 7.296 5.711 1.00 0.37 C ATOM 675 CG MET A 46 -0.736 8.329 4.632 1.00 0.40 C ATOM 676 SD MET A 46 -1.089 9.966 5.290 1.00 0.54 S ATOM 677 CE MET A 46 -1.533 10.827 3.781 1.00 1.67 C ATOM 0 H MET A 46 -2.341 6.087 4.539 1.00 0.30 H new ATOM 0 HA MET A 46 0.506 5.869 4.497 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.332 7.323 6.415 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.397 7.562 6.268 1.00 0.37 H new ATOM 0 HG2 MET A 46 0.144 8.383 3.991 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.568 8.008 4.005 1.00 0.40 H new ATOM 0 HE1 MET A 46 -1.069 11.813 3.775 1.00 1.67 H new ATOM 0 HE2 MET A 46 -1.184 10.256 2.920 1.00 1.67 H new ATOM 0 HE3 MET A 46 -2.616 10.935 3.729 1.00 1.67 H new ATOM 687 N GLU A 47 -1.192 4.351 6.826 1.00 0.36 N ATOM 688 CA GLU A 47 -1.139 3.309 7.836 1.00 0.42 C ATOM 689 C GLU A 47 -0.563 2.038 7.196 1.00 0.43 C ATOM 690 O GLU A 47 0.341 1.411 7.746 1.00 0.52 O ATOM 691 CB GLU A 47 -2.550 3.054 8.383 1.00 0.45 C ATOM 692 CG GLU A 47 -2.651 1.945 9.418 1.00 0.62 C ATOM 693 CD GLU A 47 -1.915 2.248 10.693 1.00 1.07 C ATOM 694 OE1 GLU A 47 -0.687 2.033 10.741 1.00 1.97 O ATOM 695 OE2 GLU A 47 -2.531 2.744 11.650 1.00 1.29 O ATOM 0 H GLU A 47 -2.139 4.621 6.560 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.501 3.613 8.666 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.923 3.978 8.825 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.208 2.812 7.548 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.702 1.767 9.647 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -2.257 1.023 8.991 1.00 0.62 H new ATOM 702 N THR A 48 -1.083 1.700 6.014 1.00 0.39 N ATOM 703 CA THR A 48 -0.610 0.571 5.220 1.00 0.44 C ATOM 704 C THR A 48 0.898 0.706 5.008 1.00 0.45 C ATOM 705 O THR A 48 1.672 -0.233 5.295 1.00 0.56 O ATOM 706 CB THR A 48 -1.325 0.587 3.851 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.738 0.605 4.054 1.00 0.49 O ATOM 708 CG2 THR A 48 -0.958 -0.627 3.019 1.00 0.53 C ATOM 0 H THR A 48 -1.852 2.210 5.579 1.00 0.39 H new ATOM 0 HA THR A 48 -0.824 -0.365 5.736 1.00 0.44 H new ATOM 0 HB THR A 48 -1.006 1.480 3.314 1.00 0.44 H new ATOM 0 HG1 THR A 48 -2.946 0.236 4.937 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.479 -0.583 2.062 1.00 0.53 H new ATOM 0 HG22 THR A 48 0.118 -0.638 2.846 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.249 -1.533 3.550 1.00 0.53 H new ATOM 716 N ALA A 49 1.297 1.878 4.512 1.00 0.37 N ATOM 717 CA ALA A 49 2.678 2.206 4.287 1.00 0.38 C ATOM 718 C ALA A 49 3.485 2.015 5.555 1.00 0.43 C ATOM 719 O ALA A 49 4.437 1.284 5.542 1.00 0.45 O ATOM 720 CB ALA A 49 2.817 3.632 3.772 1.00 0.36 C ATOM 0 H ALA A 49 0.651 2.625 4.257 1.00 0.37 H new ATOM 0 HA ALA A 49 3.069 1.530 3.527 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.871 3.859 3.609 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.274 3.734 2.832 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.406 4.325 4.506 1.00 0.36 H new ATOM 726 N ALA A 50 3.035 2.620 6.658 1.00 0.47 N ATOM 727 CA ALA A 50 3.733 2.562 7.954 1.00 0.57 C ATOM 728 C ALA A 50 3.974 1.126 8.434 1.00 0.62 C ATOM 729 O ALA A 50 5.065 0.801 8.918 1.00 0.68 O ATOM 730 CB ALA A 50 2.968 3.349 9.005 1.00 0.65 C ATOM 0 H ALA A 50 2.174 3.166 6.682 1.00 0.47 H new ATOM 0 HA ALA A 50 4.713 3.015 7.805 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.497 3.296 9.956 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.887 4.390 8.693 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.970 2.926 9.121 1.00 0.65 H new ATOM 736 N ARG A 51 2.972 0.269 8.284 1.00 0.65 N ATOM 737 CA ARG A 51 3.095 -1.135 8.687 1.00 0.76 C ATOM 738 C ARG A 51 4.189 -1.808 7.854 1.00 0.64 C ATOM 739 O ARG A 51 5.095 -2.466 8.387 1.00 0.62 O ATOM 740 CB ARG A 51 1.751 -1.873 8.519 1.00 0.95 C ATOM 741 CG ARG A 51 0.600 -1.254 9.309 1.00 1.23 C ATOM 742 CD ARG A 51 0.821 -1.325 10.814 1.00 0.90 C ATOM 743 NE ARG A 51 -0.161 -0.506 11.547 1.00 1.76 N ATOM 744 CZ ARG A 51 -0.833 -0.868 12.655 1.00 2.17 C ATOM 745 NH1 ARG A 51 -0.760 -2.115 13.117 1.00 2.08 N ATOM 746 NH2 ARG A 51 -1.594 0.021 13.281 1.00 3.21 N ATOM 0 H ARG A 51 2.065 0.516 7.888 1.00 0.65 H new ATOM 0 HA ARG A 51 3.368 -1.180 9.741 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.486 -1.888 7.462 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.876 -2.910 8.831 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.478 -0.212 9.012 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.327 -1.768 9.057 1.00 1.23 H new ATOM 0 HD2 ARG A 51 0.750 -2.361 11.144 1.00 0.90 H new ATOM 0 HD3 ARG A 51 1.829 -0.984 11.051 1.00 0.90 H new ATOM 0 HE ARG A 51 -0.350 0.426 11.178 1.00 1.76 H new ATOM 0 HH11 ARG A 51 -0.190 -2.807 12.630 1.00 2.08 H new ATOM 0 HH12 ARG A 51 -1.274 -2.378 13.958 1.00 2.08 H new ATOM 0 HH21 ARG A 51 -1.667 0.973 12.922 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -2.106 -0.248 14.121 1.00 3.21 H new ATOM 760 N LEU A 52 4.134 -1.593 6.557 1.00 0.60 N ATOM 761 CA LEU A 52 5.143 -2.128 5.649 1.00 0.55 C ATOM 762 C LEU A 52 6.519 -1.465 5.849 1.00 0.46 C ATOM 763 O LEU A 52 7.557 -2.137 5.725 1.00 0.45 O ATOM 764 CB LEU A 52 4.668 -2.045 4.200 1.00 0.61 C ATOM 765 CG LEU A 52 3.453 -2.919 3.879 1.00 0.76 C ATOM 766 CD1 LEU A 52 2.987 -2.701 2.458 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.782 -4.387 4.105 1.00 0.93 C ATOM 0 H LEU A 52 3.401 -1.050 6.100 1.00 0.60 H new ATOM 0 HA LEU A 52 5.278 -3.182 5.892 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.425 -1.008 3.970 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.490 -2.333 3.544 1.00 0.61 H new ATOM 0 HG LEU A 52 2.644 -2.631 4.550 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.123 -3.334 2.257 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.710 -1.656 2.322 1.00 0.87 H new ATOM 0 HD13 LEU A 52 3.792 -2.956 1.768 1.00 0.87 H new ATOM 0 HD21 LEU A 52 2.908 -4.996 3.873 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.610 -4.678 3.458 1.00 0.93 H new ATOM 0 HD23 LEU A 52 4.064 -4.540 5.147 1.00 0.93 H new ATOM 779 N GLU A 53 6.526 -0.166 6.176 1.00 0.45 N ATOM 780 CA GLU A 53 7.754 0.569 6.489 1.00 0.44 C ATOM 781 C GLU A 53 8.457 -0.082 7.638 1.00 0.46 C ATOM 782 O GLU A 53 9.673 -0.245 7.622 1.00 0.50 O ATOM 783 CB GLU A 53 7.491 2.028 6.867 1.00 0.52 C ATOM 784 CG GLU A 53 7.017 2.929 5.754 1.00 0.44 C ATOM 785 CD GLU A 53 6.852 4.341 6.240 1.00 0.45 C ATOM 786 OE1 GLU A 53 7.861 5.077 6.291 1.00 0.45 O ATOM 787 OE2 GLU A 53 5.745 4.735 6.619 1.00 0.57 O ATOM 0 H GLU A 53 5.681 0.402 6.230 1.00 0.45 H new ATOM 0 HA GLU A 53 8.363 0.550 5.585 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.747 2.047 7.663 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.409 2.446 7.279 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.732 2.905 4.932 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.068 2.562 5.363 1.00 0.44 H new ATOM 794 N SER A 54 7.687 -0.449 8.626 1.00 0.49 N ATOM 795 CA SER A 54 8.191 -1.102 9.789 1.00 0.56 C ATOM 796 C SER A 54 8.769 -2.477 9.411 1.00 0.55 C ATOM 797 O SER A 54 9.954 -2.744 9.641 1.00 0.67 O ATOM 798 CB SER A 54 7.058 -1.239 10.814 1.00 0.67 C ATOM 799 OG SER A 54 7.511 -1.771 12.047 1.00 1.36 O ATOM 0 H SER A 54 6.678 -0.298 8.640 1.00 0.49 H new ATOM 0 HA SER A 54 8.995 -0.513 10.230 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.606 -0.262 10.986 1.00 0.67 H new ATOM 0 HB3 SER A 54 6.279 -1.883 10.407 1.00 0.67 H new ATOM 0 HG SER A 54 6.758 -1.839 12.670 1.00 1.36 H new ATOM 805 N ARG A 55 7.949 -3.300 8.759 1.00 0.52 N ATOM 806 CA ARG A 55 8.323 -4.668 8.397 1.00 0.57 C ATOM 807 C ARG A 55 9.572 -4.738 7.495 1.00 0.54 C ATOM 808 O ARG A 55 10.458 -5.579 7.708 1.00 0.65 O ATOM 809 CB ARG A 55 7.144 -5.397 7.721 1.00 0.67 C ATOM 810 CG ARG A 55 7.462 -6.839 7.358 1.00 0.77 C ATOM 811 CD ARG A 55 6.306 -7.558 6.686 1.00 0.96 C ATOM 812 NE ARG A 55 6.691 -8.935 6.361 1.00 1.60 N ATOM 813 CZ ARG A 55 5.909 -9.886 5.832 1.00 2.10 C ATOM 814 NH1 ARG A 55 4.669 -9.616 5.434 1.00 1.89 N ATOM 815 NH2 ARG A 55 6.407 -11.110 5.668 1.00 3.10 N ATOM 0 H ARG A 55 7.007 -3.038 8.467 1.00 0.52 H new ATOM 0 HA ARG A 55 8.576 -5.170 9.331 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.283 -5.378 8.389 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.860 -4.856 6.819 1.00 0.67 H new ATOM 0 HG2 ARG A 55 8.327 -6.857 6.695 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.742 -7.381 8.262 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.437 -7.561 7.344 1.00 0.96 H new ATOM 0 HD3 ARG A 55 6.017 -7.029 5.778 1.00 0.96 H new ATOM 0 HE ARG A 55 7.657 -9.197 6.559 1.00 1.60 H new ATOM 0 HH11 ARG A 55 4.297 -8.671 5.529 1.00 1.89 H new ATOM 0 HH12 ARG A 55 4.090 -10.354 5.034 1.00 1.89 H new ATOM 0 HH21 ARG A 55 7.368 -11.311 5.943 1.00 3.10 H new ATOM 0 HH22 ARG A 55 5.827 -11.847 5.267 1.00 3.10 H new ATOM 829 N TYR A 56 9.646 -3.871 6.505 1.00 0.50 N ATOM 830 CA TYR A 56 10.735 -3.928 5.533 1.00 0.57 C ATOM 831 C TYR A 56 11.839 -2.903 5.764 1.00 0.59 C ATOM 832 O TYR A 56 12.837 -2.892 5.043 1.00 0.73 O ATOM 833 CB TYR A 56 10.194 -3.863 4.103 1.00 0.65 C ATOM 834 CG TYR A 56 9.528 -5.150 3.664 1.00 0.72 C ATOM 835 CD1 TYR A 56 10.251 -6.204 3.112 1.00 0.89 C ATOM 836 CD2 TYR A 56 8.158 -5.293 3.786 1.00 0.76 C ATOM 837 CE1 TYR A 56 9.609 -7.364 2.699 1.00 1.03 C ATOM 838 CE2 TYR A 56 7.517 -6.434 3.375 1.00 0.91 C ATOM 839 CZ TYR A 56 8.374 -7.557 2.884 1.00 1.03 C ATOM 840 OH TYR A 56 7.573 -8.606 2.401 1.00 1.21 O ATOM 0 H TYR A 56 8.973 -3.121 6.347 1.00 0.50 H new ATOM 0 HA TYR A 56 11.215 -4.895 5.684 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.477 -3.045 4.028 1.00 0.65 H new ATOM 0 HB3 TYR A 56 11.012 -3.633 3.421 1.00 0.65 H new ATOM 0 HD1 TYR A 56 11.322 -6.119 3.004 1.00 0.89 H new ATOM 0 HD2 TYR A 56 7.580 -4.488 4.215 1.00 0.76 H new ATOM 0 HE1 TYR A 56 10.186 -8.129 2.201 1.00 1.03 H new ATOM 0 HE2 TYR A 56 6.441 -6.518 3.405 1.00 0.91 H new ATOM 0 HH TYR A 56 6.735 -8.241 2.047 1.00 1.21 H new ATOM 850 N GLY A 57 11.676 -2.069 6.767 1.00 0.52 N ATOM 851 CA GLY A 57 12.689 -1.070 7.081 1.00 0.56 C ATOM 852 C GLY A 57 12.818 -0.013 6.001 1.00 0.54 C ATOM 853 O GLY A 57 13.919 0.269 5.521 1.00 0.68 O ATOM 0 H GLY A 57 10.860 -2.057 7.379 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.440 -0.589 8.027 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.651 -1.564 7.218 1.00 0.56 H new ATOM 857 N VAL A 58 11.704 0.547 5.598 1.00 0.47 N ATOM 858 CA VAL A 58 11.698 1.571 4.572 1.00 0.44 C ATOM 859 C VAL A 58 11.150 2.877 5.108 1.00 0.42 C ATOM 860 O VAL A 58 10.724 2.945 6.261 1.00 0.44 O ATOM 861 CB VAL A 58 10.980 1.161 3.246 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.704 0.014 2.578 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.526 0.785 3.487 1.00 0.43 C ATOM 0 H VAL A 58 10.782 0.312 5.965 1.00 0.47 H new ATOM 0 HA VAL A 58 12.744 1.707 4.299 1.00 0.44 H new ATOM 0 HB VAL A 58 11.001 2.029 2.586 1.00 0.46 H new ATOM 0 HG11 VAL A 58 11.187 -0.255 1.657 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.726 0.314 2.346 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.722 -0.845 3.249 1.00 0.55 H new ATOM 0 HG21 VAL A 58 9.061 0.506 2.542 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.478 -0.057 4.178 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.996 1.636 3.915 1.00 0.43 H new ATOM 873 N SER A 59 11.164 3.899 4.300 1.00 0.43 N ATOM 874 CA SER A 59 10.692 5.187 4.703 1.00 0.48 C ATOM 875 C SER A 59 9.869 5.777 3.574 1.00 0.43 C ATOM 876 O SER A 59 10.399 6.127 2.512 1.00 0.49 O ATOM 877 CB SER A 59 11.881 6.079 5.068 1.00 0.65 C ATOM 878 OG SER A 59 12.680 5.450 6.070 1.00 1.28 O ATOM 0 H SER A 59 11.505 3.859 3.340 1.00 0.43 H new ATOM 0 HA SER A 59 10.059 5.107 5.587 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.484 6.274 4.181 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.524 7.043 5.430 1.00 0.65 H new ATOM 0 HG SER A 59 13.438 6.029 6.295 1.00 1.28 H new ATOM 884 N ILE A 60 8.585 5.801 3.777 1.00 0.39 N ATOM 885 CA ILE A 60 7.641 6.278 2.800 1.00 0.38 C ATOM 886 C ILE A 60 6.984 7.545 3.320 1.00 0.41 C ATOM 887 O ILE A 60 6.324 7.516 4.368 1.00 0.45 O ATOM 888 CB ILE A 60 6.549 5.205 2.519 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.191 3.922 1.958 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.482 5.743 1.566 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.222 2.775 1.765 1.00 0.82 C ATOM 0 H ILE A 60 8.152 5.483 4.644 1.00 0.39 H new ATOM 0 HA ILE A 60 8.171 6.484 1.870 1.00 0.38 H new ATOM 0 HB ILE A 60 6.058 4.962 3.461 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.659 4.152 1.001 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.985 3.602 2.632 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.732 4.973 1.387 1.00 0.38 H new ATOM 0 HG22 ILE A 60 5.006 6.617 2.009 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.947 6.023 0.621 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.755 1.911 1.367 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.772 2.514 2.723 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.441 3.073 1.066 1.00 0.82 H new ATOM 903 N PRO A 61 7.183 8.678 2.640 1.00 0.48 N ATOM 904 CA PRO A 61 6.568 9.937 3.037 1.00 0.55 C ATOM 905 C PRO A 61 5.036 9.836 3.014 1.00 0.49 C ATOM 906 O PRO A 61 4.446 9.392 2.021 1.00 0.43 O ATOM 907 CB PRO A 61 7.082 10.947 2.006 1.00 0.66 C ATOM 908 CG PRO A 61 8.288 10.306 1.410 1.00 0.70 C ATOM 909 CD PRO A 61 8.027 8.830 1.444 1.00 0.58 C ATOM 0 HA PRO A 61 6.823 10.225 4.057 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.328 11.154 1.246 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.332 11.899 2.475 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.449 10.651 0.389 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.185 10.557 1.977 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.518 8.488 0.543 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.951 8.257 1.525 1.00 0.58 H new ATOM 917 N ASP A 62 4.429 10.250 4.121 1.00 0.57 N ATOM 918 CA ASP A 62 2.972 10.159 4.386 1.00 0.56 C ATOM 919 C ASP A 62 2.141 10.611 3.212 1.00 0.48 C ATOM 920 O ASP A 62 1.342 9.851 2.669 1.00 0.46 O ATOM 921 CB ASP A 62 2.578 11.040 5.584 1.00 0.71 C ATOM 922 CG ASP A 62 3.201 10.637 6.886 1.00 1.23 C ATOM 923 OD1 ASP A 62 4.395 10.917 7.101 1.00 1.52 O ATOM 924 OD2 ASP A 62 2.524 9.971 7.699 1.00 1.98 O ATOM 0 H ASP A 62 4.943 10.675 4.893 1.00 0.57 H new ATOM 0 HA ASP A 62 2.775 9.106 4.587 1.00 0.56 H new ATOM 0 HB2 ASP A 62 2.856 12.071 5.367 1.00 0.71 H new ATOM 0 HB3 ASP A 62 1.494 11.019 5.693 1.00 0.71 H new ATOM 929 N ASP A 63 2.380 11.835 2.794 1.00 0.52 N ATOM 930 CA ASP A 63 1.581 12.506 1.759 1.00 0.56 C ATOM 931 C ASP A 63 1.625 11.764 0.426 1.00 0.50 C ATOM 932 O ASP A 63 0.702 11.859 -0.378 1.00 0.60 O ATOM 933 CB ASP A 63 2.048 13.953 1.571 1.00 0.71 C ATOM 934 CG ASP A 63 2.022 14.760 2.857 1.00 1.56 C ATOM 935 OD1 ASP A 63 0.952 15.341 3.180 1.00 2.31 O ATOM 936 OD2 ASP A 63 3.036 14.828 3.567 1.00 2.20 O ATOM 0 H ASP A 63 3.140 12.409 3.159 1.00 0.52 H new ATOM 0 HA ASP A 63 0.547 12.504 2.103 1.00 0.56 H new ATOM 0 HB2 ASP A 63 3.062 13.952 1.170 1.00 0.71 H new ATOM 0 HB3 ASP A 63 1.413 14.440 0.831 1.00 0.71 H new ATOM 941 N VAL A 64 2.665 10.973 0.226 1.00 0.46 N ATOM 942 CA VAL A 64 2.851 10.222 -1.008 1.00 0.48 C ATOM 943 C VAL A 64 1.839 9.070 -1.101 1.00 0.42 C ATOM 944 O VAL A 64 1.485 8.620 -2.187 1.00 0.46 O ATOM 945 CB VAL A 64 4.298 9.681 -1.118 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.525 8.906 -2.414 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.290 10.820 -1.022 1.00 0.63 C ATOM 0 H VAL A 64 3.405 10.832 0.913 1.00 0.46 H new ATOM 0 HA VAL A 64 2.679 10.902 -1.842 1.00 0.48 H new ATOM 0 HB VAL A 64 4.449 8.991 -0.288 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.553 8.546 -2.447 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.842 8.058 -2.455 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.342 9.561 -3.266 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.304 10.427 -1.101 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.111 11.527 -1.832 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.171 11.327 -0.064 1.00 0.63 H new ATOM 957 N ALA A 65 1.296 8.670 0.028 1.00 0.45 N ATOM 958 CA ALA A 65 0.310 7.610 0.047 1.00 0.46 C ATOM 959 C ALA A 65 -1.060 8.147 -0.371 1.00 0.44 C ATOM 960 O ALA A 65 -2.028 7.417 -0.437 1.00 0.51 O ATOM 961 CB ALA A 65 0.249 6.945 1.409 1.00 0.56 C ATOM 0 H ALA A 65 1.519 9.061 0.943 1.00 0.45 H new ATOM 0 HA ALA A 65 0.610 6.850 -0.674 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -0.500 6.153 1.394 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.223 6.519 1.650 1.00 0.56 H new ATOM 0 HB3 ALA A 65 -0.020 7.684 2.163 1.00 0.56 H new ATOM 967 N GLY A 66 -1.121 9.437 -0.648 1.00 0.48 N ATOM 968 CA GLY A 66 -2.338 10.030 -1.116 1.00 0.57 C ATOM 969 C GLY A 66 -2.339 10.175 -2.621 1.00 0.58 C ATOM 970 O GLY A 66 -3.363 10.452 -3.225 1.00 0.91 O ATOM 0 H GLY A 66 -0.338 10.084 -0.554 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.185 9.417 -0.808 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.468 11.009 -0.655 1.00 0.57 H new ATOM 974 N ARG A 67 -1.191 9.948 -3.236 1.00 0.43 N ATOM 975 CA ARG A 67 -1.064 10.123 -4.680 1.00 0.48 C ATOM 976 C ARG A 67 -0.958 8.803 -5.396 1.00 0.45 C ATOM 977 O ARG A 67 -0.644 8.751 -6.580 1.00 0.63 O ATOM 978 CB ARG A 67 0.101 11.059 -5.030 1.00 0.59 C ATOM 979 CG ARG A 67 1.458 10.622 -4.522 1.00 1.35 C ATOM 980 CD ARG A 67 2.435 11.787 -4.472 1.00 1.46 C ATOM 981 NE ARG A 67 2.009 12.812 -3.493 1.00 2.35 N ATOM 982 CZ ARG A 67 2.814 13.604 -2.784 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.141 13.480 -2.869 1.00 2.42 N ATOM 984 NH2 ARG A 67 2.282 14.502 -1.964 1.00 3.92 N ATOM 0 H ARG A 67 -0.338 9.645 -2.766 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.979 10.600 -5.032 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.152 11.158 -6.114 1.00 0.59 H new ATOM 0 HB3 ARG A 67 -0.117 12.049 -4.629 1.00 0.59 H new ATOM 0 HG2 ARG A 67 1.353 10.190 -3.527 1.00 1.35 H new ATOM 0 HG3 ARG A 67 1.855 9.840 -5.169 1.00 1.35 H new ATOM 0 HD2 ARG A 67 3.427 11.420 -4.208 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.515 12.238 -5.461 1.00 1.46 H new ATOM 0 HE ARG A 67 1.006 12.923 -3.347 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.549 12.774 -3.481 1.00 2.42 H new ATOM 0 HH12 ARG A 67 4.746 14.092 -2.322 1.00 2.42 H new ATOM 0 HH21 ARG A 67 1.268 14.580 -1.882 1.00 3.92 H new ATOM 0 HH22 ARG A 67 2.887 15.114 -1.416 1.00 3.92 H new ATOM 998 N VAL A 68 -1.234 7.746 -4.686 1.00 0.39 N ATOM 999 CA VAL A 68 -1.249 6.439 -5.275 1.00 0.38 C ATOM 1000 C VAL A 68 -2.700 6.052 -5.541 1.00 0.43 C ATOM 1001 O VAL A 68 -3.476 5.785 -4.626 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.503 5.386 -4.383 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.990 5.682 -4.370 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.025 5.374 -2.947 1.00 0.36 C ATOM 0 H VAL A 68 -1.453 7.766 -3.690 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.703 6.455 -6.219 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.690 4.404 -4.818 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.501 4.947 -3.749 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.380 5.632 -5.387 1.00 0.37 H new ATOM 0 HG13 VAL A 68 1.160 6.680 -3.965 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -0.479 4.630 -2.368 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -0.883 6.358 -2.500 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.086 5.126 -2.948 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.079 6.115 -6.788 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.450 5.848 -7.192 1.00 0.65 C ATOM 1016 C ASP A 69 -4.741 4.378 -7.139 1.00 0.52 C ATOM 1017 O ASP A 69 -5.791 3.953 -6.640 1.00 0.58 O ATOM 1018 CB ASP A 69 -4.744 6.378 -8.602 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.718 7.879 -8.711 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -3.620 8.469 -8.769 1.00 2.20 O ATOM 1021 OD2 ASP A 69 -5.799 8.502 -8.786 1.00 1.44 O ATOM 0 H ASP A 69 -2.454 6.352 -7.559 1.00 0.51 H new ATOM 0 HA ASP A 69 -5.097 6.372 -6.489 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -4.013 5.961 -9.295 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -5.723 6.018 -8.917 1.00 0.86 H new ATOM 1026 N THR A 70 -3.827 3.602 -7.649 1.00 0.42 N ATOM 1027 CA THR A 70 -3.968 2.177 -7.672 1.00 0.34 C ATOM 1028 C THR A 70 -2.966 1.548 -6.714 1.00 0.30 C ATOM 1029 O THR A 70 -1.908 2.141 -6.423 1.00 0.33 O ATOM 1030 CB THR A 70 -3.695 1.615 -9.090 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.387 2.020 -9.525 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.741 2.085 -10.095 1.00 0.48 C ATOM 0 H THR A 70 -2.959 3.944 -8.062 1.00 0.42 H new ATOM 0 HA THR A 70 -4.989 1.937 -7.377 1.00 0.34 H new ATOM 0 HB THR A 70 -3.750 0.528 -9.037 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.331 1.951 -10.501 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.515 1.670 -11.077 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.728 1.748 -9.777 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.729 3.174 -10.150 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.263 0.342 -6.200 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.321 -0.417 -5.373 1.00 0.33 C ATOM 1042 C PRO A 71 -1.088 -0.803 -6.179 1.00 0.32 C ATOM 1043 O PRO A 71 -0.050 -1.100 -5.631 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.113 -1.665 -4.983 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.529 -1.257 -5.133 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.553 -0.351 -6.318 1.00 0.35 C ATOM 0 HA PRO A 71 -1.961 0.149 -4.514 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -2.871 -2.509 -5.629 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -2.893 -1.973 -3.961 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.174 -2.122 -5.286 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -4.888 -0.746 -4.240 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.634 -0.905 -7.253 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.393 0.343 -6.284 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.231 -0.762 -7.491 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.154 -1.014 -8.429 1.00 0.39 C ATOM 1056 C ARG A 72 0.914 0.067 -8.257 1.00 0.32 C ATOM 1057 O ARG A 72 2.099 -0.210 -8.095 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.725 -0.927 -9.839 1.00 0.52 C ATOM 1059 CG ARG A 72 0.269 -1.157 -10.954 1.00 0.93 C ATOM 1060 CD ARG A 72 -0.381 -0.912 -12.299 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.549 -1.776 -12.518 1.00 1.31 N ATOM 1062 CZ ARG A 72 -2.760 -1.336 -12.901 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -2.982 -0.034 -13.043 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -3.753 -2.199 -13.097 1.00 1.99 N ATOM 0 H ARG A 72 -2.120 -0.548 -7.944 1.00 0.34 H new ATOM 0 HA ARG A 72 0.285 -1.996 -8.255 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.528 -1.658 -9.934 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -1.173 0.058 -9.972 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.124 -0.493 -10.830 1.00 0.93 H new ATOM 0 HG3 ARG A 72 0.648 -2.178 -10.907 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.686 0.132 -12.368 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.349 -1.084 -13.090 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.433 -2.778 -12.369 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -2.233 0.634 -12.861 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -3.902 0.298 -13.334 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -3.596 -3.197 -12.957 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -4.671 -1.863 -13.388 1.00 1.99 H new ATOM 1078 N GLU A 73 0.444 1.292 -8.255 1.00 0.31 N ATOM 1079 CA GLU A 73 1.263 2.475 -8.117 1.00 0.32 C ATOM 1080 C GLU A 73 1.852 2.552 -6.698 1.00 0.26 C ATOM 1081 O GLU A 73 2.989 3.011 -6.500 1.00 0.30 O ATOM 1082 CB GLU A 73 0.376 3.667 -8.451 1.00 0.45 C ATOM 1083 CG GLU A 73 1.012 5.032 -8.427 1.00 0.53 C ATOM 1084 CD GLU A 73 0.072 6.039 -9.013 1.00 1.09 C ATOM 1085 OE1 GLU A 73 -1.063 6.135 -8.556 1.00 1.51 O ATOM 1086 OE2 GLU A 73 0.417 6.695 -10.015 1.00 1.86 O ATOM 0 H GLU A 73 -0.550 1.500 -8.352 1.00 0.31 H new ATOM 0 HA GLU A 73 2.117 2.459 -8.794 1.00 0.32 H new ATOM 0 HB2 GLU A 73 -0.042 3.508 -9.445 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.459 3.672 -7.751 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.263 5.308 -7.403 1.00 0.53 H new ATOM 0 HG3 GLU A 73 1.944 5.019 -8.992 1.00 0.53 H new ATOM 1093 N LEU A 74 1.087 2.070 -5.728 1.00 0.25 N ATOM 1094 CA LEU A 74 1.534 2.013 -4.339 1.00 0.26 C ATOM 1095 C LEU A 74 2.650 0.946 -4.227 1.00 0.24 C ATOM 1096 O LEU A 74 3.693 1.180 -3.609 1.00 0.27 O ATOM 1097 CB LEU A 74 0.321 1.673 -3.423 1.00 0.29 C ATOM 1098 CG LEU A 74 0.417 2.006 -1.906 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -0.907 1.724 -1.226 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.511 1.227 -1.205 1.00 1.14 C ATOM 0 H LEU A 74 0.145 1.709 -5.878 1.00 0.25 H new ATOM 0 HA LEU A 74 1.937 2.974 -4.017 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.551 2.192 -3.821 1.00 0.29 H new ATOM 0 HB3 LEU A 74 0.125 0.605 -3.516 1.00 0.29 H new ATOM 0 HG LEU A 74 0.664 3.065 -1.833 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -0.829 1.960 -0.165 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -1.686 2.338 -1.678 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.160 0.671 -1.345 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.532 1.499 -0.150 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.316 0.159 -1.301 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.473 1.462 -1.660 1.00 1.14 H new ATOM 1112 N LEU A 75 2.415 -0.204 -4.863 1.00 0.22 N ATOM 1113 CA LEU A 75 3.365 -1.322 -4.903 1.00 0.24 C ATOM 1114 C LEU A 75 4.694 -0.845 -5.471 1.00 0.23 C ATOM 1115 O LEU A 75 5.755 -1.112 -4.900 1.00 0.25 O ATOM 1116 CB LEU A 75 2.796 -2.454 -5.786 1.00 0.28 C ATOM 1117 CG LEU A 75 3.622 -3.736 -5.900 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.701 -4.448 -4.565 1.00 0.42 C ATOM 1119 CD2 LEU A 75 3.043 -4.653 -6.964 1.00 0.47 C ATOM 0 H LEU A 75 1.550 -0.389 -5.371 1.00 0.22 H new ATOM 0 HA LEU A 75 3.522 -1.699 -3.892 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.812 -2.720 -5.401 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.649 -2.057 -6.790 1.00 0.28 H new ATOM 0 HG LEU A 75 4.634 -3.462 -6.197 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.293 -5.357 -4.672 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.170 -3.793 -3.831 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.696 -4.707 -4.231 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.645 -5.559 -7.030 1.00 0.47 H new ATOM 0 HD22 LEU A 75 2.019 -4.916 -6.700 1.00 0.47 H new ATOM 0 HD23 LEU A 75 3.050 -4.143 -7.927 1.00 0.47 H new ATOM 1131 N ASP A 76 4.608 -0.118 -6.582 1.00 0.24 N ATOM 1132 CA ASP A 76 5.771 0.486 -7.252 1.00 0.30 C ATOM 1133 C ASP A 76 6.603 1.323 -6.296 1.00 0.28 C ATOM 1134 O ASP A 76 7.817 1.155 -6.222 1.00 0.31 O ATOM 1135 CB ASP A 76 5.315 1.349 -8.424 1.00 0.40 C ATOM 1136 CG ASP A 76 6.419 2.231 -8.973 1.00 0.57 C ATOM 1137 OD1 ASP A 76 7.295 1.715 -9.691 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.455 3.446 -8.671 1.00 0.64 O ATOM 0 H ASP A 76 3.723 0.074 -7.052 1.00 0.24 H new ATOM 0 HA ASP A 76 6.396 -0.329 -7.617 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.943 0.704 -9.220 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.482 1.975 -8.105 1.00 0.40 H new ATOM 1143 N LEU A 77 5.935 2.192 -5.551 1.00 0.27 N ATOM 1144 CA LEU A 77 6.583 3.061 -4.570 1.00 0.29 C ATOM 1145 C LEU A 77 7.406 2.247 -3.570 1.00 0.28 C ATOM 1146 O LEU A 77 8.589 2.535 -3.328 1.00 0.33 O ATOM 1147 CB LEU A 77 5.520 3.886 -3.829 1.00 0.32 C ATOM 1148 CG LEU A 77 5.991 4.696 -2.612 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.016 5.758 -2.994 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.802 5.315 -1.908 1.00 0.63 C ATOM 0 H LEU A 77 4.924 2.317 -5.608 1.00 0.27 H new ATOM 0 HA LEU A 77 7.262 3.731 -5.098 1.00 0.29 H new ATOM 0 HB2 LEU A 77 5.069 4.576 -4.542 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.733 3.208 -3.501 1.00 0.32 H new ATOM 0 HG LEU A 77 6.489 4.010 -1.926 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.321 6.306 -2.103 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.887 5.279 -3.441 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.574 6.449 -3.712 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.147 5.887 -1.047 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.276 5.977 -2.596 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.127 4.527 -1.574 1.00 0.63 H new ATOM 1162 N ILE A 78 6.796 1.215 -3.021 1.00 0.25 N ATOM 1163 CA ILE A 78 7.467 0.399 -2.040 1.00 0.28 C ATOM 1164 C ILE A 78 8.586 -0.402 -2.693 1.00 0.30 C ATOM 1165 O ILE A 78 9.682 -0.471 -2.161 1.00 0.34 O ATOM 1166 CB ILE A 78 6.507 -0.549 -1.292 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.331 0.240 -0.716 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.261 -1.246 -0.162 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.363 -0.604 0.078 1.00 0.51 C ATOM 0 H ILE A 78 5.842 0.926 -3.239 1.00 0.25 H new ATOM 0 HA ILE A 78 7.886 1.080 -1.299 1.00 0.28 H new ATOM 0 HB ILE A 78 6.124 -1.293 -1.990 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.716 1.034 -0.076 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.794 0.722 -1.533 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.584 -1.916 0.368 1.00 0.40 H new ATOM 0 HG22 ILE A 78 8.089 -1.820 -0.577 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.649 -0.500 0.531 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.556 0.025 0.455 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.948 -1.382 -0.563 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.885 -1.065 0.916 1.00 0.51 H new ATOM 1181 N ASN A 79 8.317 -0.989 -3.858 1.00 0.34 N ATOM 1182 CA ASN A 79 9.337 -1.763 -4.583 1.00 0.43 C ATOM 1183 C ASN A 79 10.524 -0.884 -4.954 1.00 0.46 C ATOM 1184 O ASN A 79 11.657 -1.356 -5.017 1.00 0.50 O ATOM 1185 CB ASN A 79 8.791 -2.459 -5.847 1.00 0.55 C ATOM 1186 CG ASN A 79 7.760 -3.566 -5.594 1.00 0.62 C ATOM 1187 OD1 ASN A 79 6.907 -3.828 -6.441 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.829 -4.223 -4.450 1.00 0.84 N ATOM 0 H ASN A 79 7.410 -0.947 -4.322 1.00 0.34 H new ATOM 0 HA ASN A 79 9.659 -2.547 -3.897 1.00 0.43 H new ATOM 0 HB2 ASN A 79 8.338 -1.704 -6.490 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.630 -2.886 -6.397 1.00 0.55 H new ATOM 0 HD21 ASN A 79 7.164 -4.970 -4.250 1.00 0.84 H new ATOM 0 HD22 ASN A 79 8.547 -3.983 -3.767 1.00 0.84 H new ATOM 1195 N GLY A 80 10.257 0.386 -5.205 1.00 0.47 N ATOM 1196 CA GLY A 80 11.306 1.338 -5.475 1.00 0.56 C ATOM 1197 C GLY A 80 12.199 1.521 -4.271 1.00 0.55 C ATOM 1198 O GLY A 80 13.425 1.435 -4.377 1.00 0.63 O ATOM 0 H GLY A 80 9.315 0.778 -5.226 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.900 0.998 -6.323 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.868 2.296 -5.756 1.00 0.56 H new ATOM 1202 N ALA A 81 11.589 1.727 -3.119 1.00 0.49 N ATOM 1203 CA ALA A 81 12.331 1.881 -1.873 1.00 0.53 C ATOM 1204 C ALA A 81 13.055 0.578 -1.515 1.00 0.50 C ATOM 1205 O ALA A 81 14.209 0.584 -1.096 1.00 0.61 O ATOM 1206 CB ALA A 81 11.395 2.303 -0.747 1.00 0.53 C ATOM 0 H ALA A 81 10.576 1.792 -3.016 1.00 0.49 H new ATOM 0 HA ALA A 81 13.080 2.662 -2.009 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.963 2.414 0.176 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.926 3.254 -1.001 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.625 1.544 -0.610 1.00 0.53 H new ATOM 1212 N LEU A 82 12.378 -0.534 -1.741 1.00 0.42 N ATOM 1213 CA LEU A 82 12.914 -1.861 -1.458 1.00 0.44 C ATOM 1214 C LEU A 82 14.055 -2.248 -2.372 1.00 0.56 C ATOM 1215 O LEU A 82 14.816 -3.145 -2.058 1.00 0.74 O ATOM 1216 CB LEU A 82 11.819 -2.911 -1.492 1.00 0.40 C ATOM 1217 CG LEU A 82 10.840 -2.866 -0.332 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.744 -3.874 -0.539 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.569 -3.154 0.963 1.00 0.46 C ATOM 0 H LEU A 82 11.435 -0.546 -2.128 1.00 0.42 H new ATOM 0 HA LEU A 82 13.325 -1.814 -0.450 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.261 -2.800 -2.422 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.284 -3.897 -1.515 1.00 0.40 H new ATOM 0 HG LEU A 82 10.396 -1.872 -0.281 1.00 0.38 H new ATOM 0 HD11 LEU A 82 9.048 -3.832 0.299 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.212 -3.649 -1.463 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.176 -4.873 -0.603 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.863 -3.121 1.793 1.00 0.46 H new ATOM 0 HD22 LEU A 82 12.023 -4.143 0.912 1.00 0.46 H new ATOM 0 HD23 LEU A 82 12.346 -2.405 1.117 1.00 0.46 H new ATOM 1231 N ALA A 83 14.190 -1.561 -3.488 1.00 0.56 N ATOM 1232 CA ALA A 83 15.302 -1.808 -4.392 1.00 0.71 C ATOM 1233 C ALA A 83 16.596 -1.315 -3.756 1.00 0.84 C ATOM 1234 O ALA A 83 17.687 -1.799 -4.065 1.00 1.00 O ATOM 1235 CB ALA A 83 15.074 -1.129 -5.734 1.00 0.78 C ATOM 0 H ALA A 83 13.548 -0.829 -3.793 1.00 0.56 H new ATOM 0 HA ALA A 83 15.377 -2.881 -4.571 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.920 -1.329 -6.392 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.162 -1.517 -6.188 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.976 -0.054 -5.586 1.00 0.78 H new ATOM 1241 N GLU A 84 16.458 -0.371 -2.836 1.00 0.89 N ATOM 1242 CA GLU A 84 17.594 0.188 -2.125 1.00 1.12 C ATOM 1243 C GLU A 84 17.787 -0.568 -0.808 1.00 1.10 C ATOM 1244 O GLU A 84 18.779 -0.380 -0.103 1.00 1.37 O ATOM 1245 CB GLU A 84 17.348 1.669 -1.805 1.00 1.34 C ATOM 1246 CG GLU A 84 16.974 2.543 -2.995 1.00 1.96 C ATOM 1247 CD GLU A 84 18.000 2.544 -4.103 1.00 2.48 C ATOM 1248 OE1 GLU A 84 19.206 2.552 -3.798 1.00 3.17 O ATOM 1249 OE2 GLU A 84 17.630 2.468 -5.285 1.00 2.77 O ATOM 0 H GLU A 84 15.559 0.026 -2.564 1.00 0.89 H new ATOM 0 HA GLU A 84 18.480 0.095 -2.753 1.00 1.12 H new ATOM 0 HB2 GLU A 84 16.552 1.735 -1.063 1.00 1.34 H new ATOM 0 HB3 GLU A 84 18.248 2.078 -1.345 1.00 1.34 H new ATOM 0 HG2 GLU A 84 16.020 2.202 -3.397 1.00 1.96 H new ATOM 0 HG3 GLU A 84 16.827 3.566 -2.649 1.00 1.96 H new ATOM 1256 N ALA A 85 16.837 -1.417 -0.489 1.00 1.08 N ATOM 1257 CA ALA A 85 16.840 -2.135 0.760 1.00 1.24 C ATOM 1258 C ALA A 85 17.422 -3.520 0.580 1.00 1.57 C ATOM 1259 O ALA A 85 17.107 -4.220 -0.388 1.00 1.86 O ATOM 1260 CB ALA A 85 15.433 -2.214 1.330 1.00 1.36 C ATOM 0 H ALA A 85 16.041 -1.628 -1.090 1.00 1.08 H new ATOM 0 HA ALA A 85 17.468 -1.593 1.467 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.453 -2.759 2.273 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.053 -1.207 1.501 1.00 1.36 H new ATOM 0 HB3 ALA A 85 14.783 -2.732 0.625 1.00 1.36 H new ATOM 1266 N ALA A 86 18.267 -3.897 1.492 1.00 2.28 N ATOM 1267 CA ALA A 86 18.915 -5.179 1.495 1.00 2.95 C ATOM 1268 C ALA A 86 19.413 -5.431 2.891 1.00 3.59 C ATOM 1269 O ALA A 86 20.519 -4.995 3.226 1.00 4.18 O ATOM 1270 CB ALA A 86 20.069 -5.222 0.492 1.00 3.65 C ATOM 1271 OXT ALA A 86 18.669 -6.011 3.694 1.00 3.96 O ATOM 0 H ALA A 86 18.534 -3.305 2.279 1.00 2.28 H new ATOM 0 HA ALA A 86 18.210 -5.954 1.194 1.00 2.95 H new ATOM 0 HB1 ALA A 86 20.538 -6.205 0.519 1.00 3.65 H new ATOM 0 HB2 ALA A 86 19.687 -5.030 -0.511 1.00 3.65 H new ATOM 0 HB3 ALA A 86 20.805 -4.461 0.752 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -6.175 11.166 2.138 1.00 1.02 P HETATM 1279 O26 SXV A 87 -6.537 11.499 0.656 1.00 1.46 O HETATM 1280 O23 SXV A 87 -7.228 10.473 3.036 1.00 1.45 O HETATM 1281 O27 SXV A 87 -5.652 12.439 2.828 1.00 1.00 O HETATM 1282 C28 SXV A 87 -4.400 13.002 2.287 1.00 1.26 C HETATM 1283 C29 SXV A 87 -3.848 14.153 3.127 1.00 1.33 C HETATM 1284 C30 SXV A 87 -3.884 13.699 4.582 1.00 1.50 C HETATM 1285 C31 SXV A 87 -2.396 14.430 2.707 1.00 1.44 C HETATM 1286 C32 SXV A 87 -4.722 15.458 2.917 1.00 1.82 C HETATM 1287 O33 SXV A 87 -4.811 15.774 1.514 1.00 2.23 O HETATM 1288 C34 SXV A 87 -4.101 16.673 3.630 1.00 2.37 C HETATM 1289 O35 SXV A 87 -3.716 16.638 4.806 1.00 2.83 O HETATM 1290 N36 SXV A 87 -4.012 17.742 2.892 1.00 3.05 N HETATM 1291 C37 SXV A 87 -3.446 18.997 3.348 1.00 4.03 C HETATM 1292 C38 SXV A 87 -2.413 19.515 2.363 1.00 4.86 C HETATM 1293 C39 SXV A 87 -1.441 20.504 2.960 1.00 5.59 C HETATM 1294 O40 SXV A 87 -1.607 21.006 4.081 1.00 5.87 O HETATM 1295 N41 SXV A 87 -0.411 20.760 2.192 1.00 6.22 N HETATM 1296 C42 SXV A 87 0.667 21.657 2.539 1.00 7.18 C HETATM 1297 C43 SXV A 87 1.924 21.326 1.767 1.00 7.81 C HETATM 1298 S1 SXV A 87 3.325 22.337 2.256 1.00 8.59 S HETATM 1299 C1 SXV A 87 4.580 21.750 1.083 1.00 9.00 C HETATM 1300 C2 SXV A 87 4.944 20.284 1.265 1.00 9.66 C HETATM 1301 C3 SXV A 87 5.972 19.789 0.249 1.00 10.13 C HETATM 1302 O3 SXV A 87 5.784 18.737 -0.396 1.00 10.24 O HETATM 1303 C4 SXV A 87 7.227 20.614 0.035 1.00 10.73 C HETATM 0 HO33 SXV A 87 -5.664 16.221 1.333 1.00 2.23 H new HETATM 0 HN41 SXV A 87 -0.367 20.294 1.286 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -4.362 17.694 1.935 1.00 3.05 H new HETATM 0 H43A SXV A 87 2.170 20.275 1.916 1.00 7.81 H new HETATM 0 H42A SXV A 87 0.369 22.685 2.331 1.00 7.18 H new HETATM 0 H38A SXV A 87 -1.855 18.670 1.959 1.00 4.86 H new HETATM 0 H37A SXV A 87 -4.239 19.735 3.471 1.00 4.03 H new HETATM 0 H31B SXV A 87 -1.794 13.536 2.869 1.00 1.44 H new HETATM 0 H31A SXV A 87 -2.368 14.700 1.651 1.00 1.44 H new HETATM 0 H30B SXV A 87 -4.911 13.472 4.867 1.00 1.50 H new HETATM 0 H30A SXV A 87 -3.269 12.807 4.700 1.00 1.50 H new HETATM 0 H28A SXV A 87 -3.651 12.213 2.226 1.00 1.26 H new HETATM 0 H4B SXV A 87 6.953 21.612 -0.308 1.00 10.73 H new HETATM 0 H4A SXV A 87 7.776 20.691 0.973 1.00 10.73 H new HETATM 0 H43 SXV A 87 1.737 21.462 0.702 1.00 7.81 H new HETATM 0 H42 SXV A 87 0.867 21.593 3.609 1.00 7.18 H new HETATM 0 H4 SXV A 87 7.855 20.133 -0.714 1.00 10.73 H new HETATM 0 H38 SXV A 87 -2.928 19.986 1.526 1.00 4.86 H new HETATM 0 H37 SXV A 87 -2.985 18.859 4.326 1.00 4.03 H new HETATM 0 H32 SXV A 87 -5.708 15.254 3.334 1.00 1.82 H new HETATM 0 H31 SXV A 87 -1.995 15.250 3.302 1.00 1.44 H new HETATM 0 H30 SXV A 87 -3.497 14.493 5.221 1.00 1.50 H new HETATM 0 H2A SXV A 87 5.336 20.136 2.271 1.00 9.66 H new HETATM 0 H28 SXV A 87 -4.576 13.354 1.271 1.00 1.26 H new HETATM 0 H2 SXV A 87 4.041 19.679 1.183 1.00 9.66 H new HETATM 0 H1A SXV A 87 4.215 21.902 0.067 1.00 9.00 H new HETATM 0 H1 SXV A 87 5.480 22.356 1.193 1.00 9.00 H new