USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -177:sc= -1.06 (180deg=-1.09) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot -43:sc= 1.23 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.265) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 126:sc= 0.887 USER MOD Single : A 11 SER OG : rot -147:sc= 0.392 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -100:sc= -0.108 (180deg=-1.31) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.604 F(o=-2.5!,f=-0.6) USER MOD Single : A 21 THR OG1 : rot 79:sc= -0.172 USER MOD Single : A 24 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.0084) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -103:sc= -0.908 USER MOD Single : A 70 GLN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 72 SER OG : rot -55:sc= 0.0866 USER MOD Single : A 74 TYR OH : rot -176:sc= -0.091 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 107:sc= 0.981 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 91 LYS NZ :NH3+ -116:sc= -0.414 (180deg=-1.65!) USER MOD Single : A 100 THR OG1 : rot -170:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.494 -0.746 -0.457 1.00 25.24 N ATOM 2 CA MET A 1 2.418 0.243 -1.000 1.00 25.32 C ATOM 3 C MET A 1 3.865 -0.205 -0.814 1.00 72.24 C ATOM 4 O MET A 1 4.375 -0.239 0.306 1.00 73.40 O ATOM 5 CB MET A 1 2.202 1.599 -0.326 1.00 31.13 C ATOM 6 CG MET A 1 2.869 2.754 -1.056 1.00 35.34 C ATOM 7 SD MET A 1 3.244 4.140 0.034 1.00 13.32 S ATOM 8 CE MET A 1 1.650 4.403 0.809 1.00 62.21 C ATOM 0 H1 MET A 1 0.516 -0.420 -0.595 1.00 25.24 H new ATOM 0 H2 MET A 1 1.629 -1.653 -0.947 1.00 25.24 H new ATOM 0 H3 MET A 1 1.677 -0.871 0.559 1.00 25.24 H new ATOM 0 HA MET A 1 2.220 0.340 -2.067 1.00 25.32 H new ATOM 0 HB2 MET A 1 1.132 1.794 -0.255 1.00 31.13 H new ATOM 0 HB3 MET A 1 2.586 1.554 0.693 1.00 31.13 H new ATOM 0 HG2 MET A 1 3.790 2.402 -1.520 1.00 35.34 H new ATOM 0 HG3 MET A 1 2.217 3.095 -1.860 1.00 35.34 H new ATOM 0 HE1 MET A 1 1.653 5.360 1.331 1.00 62.21 H new ATOM 0 HE2 MET A 1 0.871 4.408 0.047 1.00 62.21 H new ATOM 0 HE3 MET A 1 1.455 3.601 1.522 1.00 62.21 H new ATOM 18 N ILE A 2 4.520 -0.548 -1.919 1.00 14.44 N ATOM 19 CA ILE A 2 5.907 -0.992 -1.877 1.00 20.45 C ATOM 20 C ILE A 2 6.815 0.093 -1.309 1.00 23.02 C ATOM 21 O ILE A 2 7.145 1.062 -1.993 1.00 70.45 O ATOM 22 CB ILE A 2 6.414 -1.390 -3.276 1.00 15.14 C ATOM 23 CG1 ILE A 2 5.508 -2.462 -3.884 1.00 73.42 C ATOM 24 CG2 ILE A 2 7.850 -1.884 -3.198 1.00 43.12 C ATOM 25 CD1 ILE A 2 5.408 -3.717 -3.045 1.00 4.23 C ATOM 0 H ILE A 2 4.112 -0.527 -2.854 1.00 14.44 H new ATOM 0 HA ILE A 2 5.938 -1.866 -1.226 1.00 20.45 H new ATOM 0 HB ILE A 2 6.388 -0.511 -3.920 1.00 15.14 H new ATOM 0 HG12 ILE A 2 4.510 -2.047 -4.022 1.00 73.42 H new ATOM 0 HG13 ILE A 2 5.883 -2.725 -4.873 1.00 73.42 H new ATOM 0 HG21 ILE A 2 8.194 -2.161 -4.194 1.00 43.12 H new ATOM 0 HG22 ILE A 2 8.486 -1.092 -2.802 1.00 43.12 H new ATOM 0 HG23 ILE A 2 7.901 -2.753 -2.542 1.00 43.12 H new ATOM 0 HD11 ILE A 2 4.750 -4.432 -3.538 1.00 4.23 H new ATOM 0 HD12 ILE A 2 6.399 -4.156 -2.928 1.00 4.23 H new ATOM 0 HD13 ILE A 2 5.004 -3.468 -2.064 1.00 4.23 H new ATOM 37 N ARG A 3 7.218 -0.077 -0.054 1.00 12.24 N ATOM 38 CA ARG A 3 8.089 0.888 0.606 1.00 10.14 C ATOM 39 C ARG A 3 9.555 0.495 0.447 1.00 33.03 C ATOM 40 O ARG A 3 10.400 1.326 0.113 1.00 13.44 O ATOM 41 CB ARG A 3 7.736 0.993 2.091 1.00 4.33 C ATOM 42 CG ARG A 3 8.036 2.357 2.693 1.00 33.52 C ATOM 43 CD ARG A 3 7.167 3.441 2.076 1.00 54.00 C ATOM 44 NE ARG A 3 6.986 4.576 2.977 1.00 52.33 N ATOM 45 CZ ARG A 3 6.320 5.678 2.647 1.00 63.52 C ATOM 46 NH1 ARG A 3 5.775 5.791 1.444 1.00 40.15 N ATOM 47 NH2 ARG A 3 6.199 6.668 3.521 1.00 34.15 N ATOM 0 H ARG A 3 6.955 -0.874 0.526 1.00 12.24 H new ATOM 0 HA ARG A 3 7.938 1.859 0.134 1.00 10.14 H new ATOM 0 HB2 ARG A 3 6.676 0.773 2.220 1.00 4.33 H new ATOM 0 HB3 ARG A 3 8.289 0.232 2.642 1.00 4.33 H new ATOM 0 HG2 ARG A 3 7.870 2.325 3.770 1.00 33.52 H new ATOM 0 HG3 ARG A 3 9.087 2.601 2.539 1.00 33.52 H new ATOM 0 HD2 ARG A 3 7.621 3.785 1.147 1.00 54.00 H new ATOM 0 HD3 ARG A 3 6.194 3.023 1.819 1.00 54.00 H new ATOM 0 HE ARG A 3 7.393 4.520 3.911 1.00 52.33 H new ATOM 0 HH11 ARG A 3 5.866 5.031 0.769 1.00 40.15 H new ATOM 0 HH12 ARG A 3 5.264 6.638 1.193 1.00 40.15 H new ATOM 0 HH21 ARG A 3 6.617 6.584 4.448 1.00 34.15 H new ATOM 0 HH22 ARG A 3 5.688 7.513 3.267 1.00 34.15 H new ATOM 61 N THR A 4 9.850 -0.778 0.689 1.00 23.52 N ATOM 62 CA THR A 4 11.213 -1.282 0.575 1.00 43.23 C ATOM 63 C THR A 4 11.235 -2.671 -0.053 1.00 5.05 C ATOM 64 O THR A 4 10.226 -3.376 -0.058 1.00 11.13 O ATOM 65 CB THR A 4 11.908 -1.340 1.948 1.00 11.13 C ATOM 66 OG1 THR A 4 11.262 -2.307 2.783 1.00 20.53 O ATOM 67 CG2 THR A 4 11.881 0.021 2.626 1.00 12.55 C ATOM 0 H THR A 4 9.163 -1.479 0.965 1.00 23.52 H new ATOM 0 HA THR A 4 11.754 -0.587 -0.068 1.00 43.23 H new ATOM 0 HB THR A 4 12.947 -1.630 1.793 1.00 11.13 H new ATOM 0 HG1 THR A 4 11.926 -2.944 3.120 1.00 20.53 H new ATOM 0 HG21 THR A 4 12.378 -0.045 3.594 1.00 12.55 H new ATOM 0 HG22 THR A 4 12.399 0.749 2.001 1.00 12.55 H new ATOM 0 HG23 THR A 4 10.847 0.336 2.769 1.00 12.55 H new ATOM 75 N ILE A 5 12.392 -3.059 -0.580 1.00 11.44 N ATOM 76 CA ILE A 5 12.545 -4.365 -1.208 1.00 31.03 C ATOM 77 C ILE A 5 13.913 -4.966 -0.901 1.00 53.52 C ATOM 78 O ILE A 5 14.906 -4.247 -0.784 1.00 64.15 O ATOM 79 CB ILE A 5 12.364 -4.280 -2.735 1.00 25.02 C ATOM 80 CG1 ILE A 5 11.040 -3.595 -3.076 1.00 75.34 C ATOM 81 CG2 ILE A 5 12.424 -5.669 -3.353 1.00 42.33 C ATOM 82 CD1 ILE A 5 10.869 -3.311 -4.552 1.00 42.03 C ATOM 0 H ILE A 5 13.237 -2.487 -0.584 1.00 11.44 H new ATOM 0 HA ILE A 5 11.768 -5.007 -0.794 1.00 31.03 H new ATOM 0 HB ILE A 5 13.176 -3.684 -3.150 1.00 25.02 H new ATOM 0 HG12 ILE A 5 10.217 -4.224 -2.738 1.00 75.34 H new ATOM 0 HG13 ILE A 5 10.972 -2.658 -2.524 1.00 75.34 H new ATOM 0 HG21 ILE A 5 12.294 -5.593 -4.433 1.00 42.33 H new ATOM 0 HG22 ILE A 5 13.391 -6.123 -3.135 1.00 42.33 H new ATOM 0 HG23 ILE A 5 11.630 -6.288 -2.935 1.00 42.33 H new ATOM 0 HD11 ILE A 5 9.908 -2.825 -4.720 1.00 42.03 H new ATOM 0 HD12 ILE A 5 11.671 -2.656 -4.892 1.00 42.03 H new ATOM 0 HD13 ILE A 5 10.904 -4.247 -5.109 1.00 42.03 H new ATOM 94 N LEU A 6 13.957 -6.287 -0.774 1.00 21.13 N ATOM 95 CA LEU A 6 15.204 -6.986 -0.483 1.00 21.12 C ATOM 96 C LEU A 6 15.501 -8.036 -1.549 1.00 22.15 C ATOM 97 O LEU A 6 14.616 -8.785 -1.960 1.00 32.23 O ATOM 98 CB LEU A 6 15.132 -7.647 0.895 1.00 74.43 C ATOM 99 CG LEU A 6 16.441 -7.704 1.682 1.00 64.33 C ATOM 100 CD1 LEU A 6 17.473 -8.542 0.942 1.00 53.13 C ATOM 101 CD2 LEU A 6 16.973 -6.301 1.934 1.00 21.14 C ATOM 0 H LEU A 6 13.144 -6.896 -0.868 1.00 21.13 H new ATOM 0 HA LEU A 6 16.011 -6.254 -0.486 1.00 21.12 H new ATOM 0 HB2 LEU A 6 14.395 -7.113 1.494 1.00 74.43 H new ATOM 0 HB3 LEU A 6 14.763 -8.665 0.769 1.00 74.43 H new ATOM 0 HG LEU A 6 16.243 -8.175 2.645 1.00 64.33 H new ATOM 0 HD11 LEU A 6 18.398 -8.571 1.517 1.00 53.13 H new ATOM 0 HD12 LEU A 6 17.094 -9.556 0.813 1.00 53.13 H new ATOM 0 HD13 LEU A 6 17.667 -8.100 -0.035 1.00 53.13 H new ATOM 0 HD21 LEU A 6 17.905 -6.361 2.495 1.00 21.14 H new ATOM 0 HD22 LEU A 6 17.155 -5.804 0.981 1.00 21.14 H new ATOM 0 HD23 LEU A 6 16.241 -5.732 2.506 1.00 21.14 H new ATOM 113 N ALA A 7 16.754 -8.086 -1.990 1.00 12.41 N ATOM 114 CA ALA A 7 17.169 -9.047 -3.004 1.00 52.44 C ATOM 115 C ALA A 7 18.494 -9.701 -2.631 1.00 24.11 C ATOM 116 O ALA A 7 19.354 -9.074 -2.012 1.00 2.24 O ATOM 117 CB ALA A 7 17.277 -8.367 -4.362 1.00 22.54 C ATOM 0 H ALA A 7 17.499 -7.472 -1.661 1.00 12.41 H new ATOM 0 HA ALA A 7 16.412 -9.829 -3.060 1.00 52.44 H new ATOM 0 HB1 ALA A 7 17.588 -9.096 -5.110 1.00 22.54 H new ATOM 0 HB2 ALA A 7 16.308 -7.953 -4.640 1.00 22.54 H new ATOM 0 HB3 ALA A 7 18.013 -7.565 -4.310 1.00 22.54 H new ATOM 123 N ILE A 8 18.653 -10.965 -3.010 1.00 53.43 N ATOM 124 CA ILE A 8 19.874 -11.703 -2.715 1.00 61.20 C ATOM 125 C ILE A 8 20.279 -12.588 -3.889 1.00 70.01 C ATOM 126 O ILE A 8 19.571 -13.531 -4.242 1.00 31.42 O ATOM 127 CB ILE A 8 19.713 -12.579 -1.458 1.00 53.15 C ATOM 128 CG1 ILE A 8 19.181 -11.743 -0.292 1.00 45.13 C ATOM 129 CG2 ILE A 8 21.039 -13.228 -1.091 1.00 52.12 C ATOM 130 CD1 ILE A 8 17.672 -11.741 -0.189 1.00 4.44 C ATOM 0 H ILE A 8 17.951 -11.499 -3.522 1.00 53.43 H new ATOM 0 HA ILE A 8 20.654 -10.963 -2.535 1.00 61.20 H new ATOM 0 HB ILE A 8 18.992 -13.368 -1.673 1.00 53.15 H new ATOM 0 HG12 ILE A 8 19.600 -12.125 0.639 1.00 45.13 H new ATOM 0 HG13 ILE A 8 19.531 -10.717 -0.402 1.00 45.13 H new ATOM 0 HG21 ILE A 8 20.909 -13.844 -0.201 1.00 52.12 H new ATOM 0 HG22 ILE A 8 21.380 -13.852 -1.917 1.00 52.12 H new ATOM 0 HG23 ILE A 8 21.780 -12.454 -0.892 1.00 52.12 H new ATOM 0 HD11 ILE A 8 17.366 -11.129 0.659 1.00 4.44 H new ATOM 0 HD12 ILE A 8 17.245 -11.332 -1.105 1.00 4.44 H new ATOM 0 HD13 ILE A 8 17.316 -12.761 -0.047 1.00 4.44 H new ATOM 142 N ASP A 9 21.423 -12.278 -4.489 1.00 72.13 N ATOM 143 CA ASP A 9 21.924 -13.047 -5.622 1.00 45.15 C ATOM 144 C ASP A 9 23.402 -13.381 -5.441 1.00 33.41 C ATOM 145 O ASP A 9 24.079 -12.804 -4.590 1.00 41.04 O ATOM 146 CB ASP A 9 21.721 -12.269 -6.924 1.00 21.33 C ATOM 147 CG ASP A 9 20.382 -11.561 -6.972 1.00 15.15 C ATOM 148 OD1 ASP A 9 19.368 -12.228 -7.268 1.00 4.12 O ATOM 149 OD2 ASP A 9 20.346 -10.339 -6.714 1.00 24.34 O ATOM 0 H ASP A 9 22.021 -11.500 -4.210 1.00 72.13 H new ATOM 0 HA ASP A 9 21.362 -13.980 -5.673 1.00 45.15 H new ATOM 0 HB2 ASP A 9 22.520 -11.536 -7.034 1.00 21.33 H new ATOM 0 HB3 ASP A 9 21.797 -12.954 -7.769 1.00 21.33 H new ATOM 154 N ASP A 10 23.894 -14.318 -6.245 1.00 0.45 N ATOM 155 CA ASP A 10 25.291 -14.729 -6.173 1.00 21.43 C ATOM 156 C ASP A 10 26.068 -14.228 -7.386 1.00 25.02 C ATOM 157 O ASP A 10 26.949 -14.918 -7.900 1.00 10.23 O ATOM 158 CB ASP A 10 25.392 -16.253 -6.081 1.00 11.21 C ATOM 159 CG ASP A 10 26.768 -16.717 -5.646 1.00 41.21 C ATOM 160 OD1 ASP A 10 27.512 -17.246 -6.498 1.00 51.00 O ATOM 161 OD2 ASP A 10 27.101 -16.552 -4.454 1.00 1.34 O ATOM 0 H ASP A 10 23.346 -14.807 -6.953 1.00 0.45 H new ATOM 0 HA ASP A 10 25.728 -14.289 -5.277 1.00 21.43 H new ATOM 0 HB2 ASP A 10 24.648 -16.622 -5.375 1.00 11.21 H new ATOM 0 HB3 ASP A 10 25.155 -16.689 -7.051 1.00 11.21 H new ATOM 166 N SER A 11 25.736 -13.024 -7.839 1.00 12.50 N ATOM 167 CA SER A 11 26.399 -12.432 -8.995 1.00 2.42 C ATOM 168 C SER A 11 26.290 -10.910 -8.964 1.00 23.25 C ATOM 169 O SER A 11 25.192 -10.356 -8.925 1.00 61.23 O ATOM 170 CB SER A 11 25.790 -12.971 -10.291 1.00 25.35 C ATOM 171 OG SER A 11 25.920 -12.033 -11.344 1.00 53.33 O ATOM 0 H SER A 11 25.011 -12.439 -7.423 1.00 12.50 H new ATOM 0 HA SER A 11 27.454 -12.705 -8.956 1.00 2.42 H new ATOM 0 HB2 SER A 11 26.282 -13.903 -10.568 1.00 25.35 H new ATOM 0 HB3 SER A 11 24.736 -13.201 -10.133 1.00 25.35 H new ATOM 0 HG SER A 11 25.146 -12.102 -11.941 1.00 53.33 H new ATOM 177 N ALA A 12 27.438 -10.241 -8.980 1.00 3.31 N ATOM 178 CA ALA A 12 27.473 -8.784 -8.955 1.00 43.35 C ATOM 179 C ALA A 12 26.581 -8.195 -10.043 1.00 1.21 C ATOM 180 O ALA A 12 25.952 -7.154 -9.849 1.00 41.11 O ATOM 181 CB ALA A 12 28.903 -8.287 -9.117 1.00 35.45 C ATOM 0 H ALA A 12 28.356 -10.685 -9.010 1.00 3.31 H new ATOM 0 HA ALA A 12 27.092 -8.453 -7.989 1.00 43.35 H new ATOM 0 HB1 ALA A 12 28.914 -7.197 -9.096 1.00 35.45 H new ATOM 0 HB2 ALA A 12 29.516 -8.671 -8.302 1.00 35.45 H new ATOM 0 HB3 ALA A 12 29.304 -8.636 -10.069 1.00 35.45 H new ATOM 187 N THR A 13 26.531 -8.867 -11.189 1.00 54.20 N ATOM 188 CA THR A 13 25.717 -8.409 -12.308 1.00 70.02 C ATOM 189 C THR A 13 24.235 -8.419 -11.951 1.00 61.30 C ATOM 190 O THR A 13 23.543 -7.414 -12.106 1.00 11.44 O ATOM 191 CB THR A 13 25.938 -9.282 -13.558 1.00 23.13 C ATOM 192 OG1 THR A 13 27.314 -9.234 -13.951 1.00 63.32 O ATOM 193 CG2 THR A 13 25.060 -8.813 -14.708 1.00 21.20 C ATOM 0 H THR A 13 27.045 -9.730 -11.366 1.00 54.20 H new ATOM 0 HA THR A 13 26.028 -7.388 -12.527 1.00 70.02 H new ATOM 0 HB THR A 13 25.667 -10.308 -13.310 1.00 23.13 H new ATOM 0 HG1 THR A 13 27.447 -9.793 -14.745 1.00 63.32 H new ATOM 0 HG21 THR A 13 25.234 -9.444 -15.579 1.00 21.20 H new ATOM 0 HG22 THR A 13 24.012 -8.878 -14.416 1.00 21.20 H new ATOM 0 HG23 THR A 13 25.304 -7.780 -14.954 1.00 21.20 H new ATOM 201 N MET A 14 23.754 -9.562 -11.472 1.00 65.11 N ATOM 202 CA MET A 14 22.354 -9.702 -11.091 1.00 52.40 C ATOM 203 C MET A 14 22.022 -8.806 -9.902 1.00 0.50 C ATOM 204 O MET A 14 21.040 -8.064 -9.927 1.00 52.30 O ATOM 205 CB MET A 14 22.039 -11.159 -10.750 1.00 33.34 C ATOM 206 CG MET A 14 21.606 -11.985 -11.950 1.00 42.25 C ATOM 207 SD MET A 14 22.953 -12.280 -13.112 1.00 43.10 S ATOM 208 CE MET A 14 22.754 -14.033 -13.423 1.00 43.42 C ATOM 0 H MET A 14 24.314 -10.404 -11.339 1.00 65.11 H new ATOM 0 HA MET A 14 21.741 -9.394 -11.938 1.00 52.40 H new ATOM 0 HB2 MET A 14 22.921 -11.618 -10.303 1.00 33.34 H new ATOM 0 HB3 MET A 14 21.250 -11.185 -9.998 1.00 33.34 H new ATOM 0 HG2 MET A 14 21.213 -12.941 -11.605 1.00 42.25 H new ATOM 0 HG3 MET A 14 20.793 -11.473 -12.465 1.00 42.25 H new ATOM 0 HE1 MET A 14 23.474 -14.593 -12.825 1.00 43.42 H new ATOM 0 HE2 MET A 14 21.743 -14.338 -13.153 1.00 43.42 H new ATOM 0 HE3 MET A 14 22.924 -14.237 -14.480 1.00 43.42 H new ATOM 218 N ARG A 15 22.847 -8.880 -8.862 1.00 53.24 N ATOM 219 CA ARG A 15 22.639 -8.076 -7.664 1.00 22.43 C ATOM 220 C ARG A 15 22.474 -6.602 -8.020 1.00 15.25 C ATOM 221 O ARG A 15 21.694 -5.886 -7.392 1.00 54.35 O ATOM 222 CB ARG A 15 23.813 -8.250 -6.698 1.00 32.30 C ATOM 223 CG ARG A 15 23.433 -8.934 -5.395 1.00 21.31 C ATOM 224 CD ARG A 15 24.658 -9.461 -4.664 1.00 45.33 C ATOM 225 NE ARG A 15 24.911 -8.733 -3.423 1.00 75.04 N ATOM 226 CZ ARG A 15 25.538 -7.563 -3.372 1.00 33.21 C ATOM 227 NH1 ARG A 15 25.974 -6.991 -4.486 1.00 31.51 N ATOM 228 NH2 ARG A 15 25.729 -6.963 -2.204 1.00 43.54 N ATOM 0 H ARG A 15 23.665 -9.488 -8.825 1.00 53.24 H new ATOM 0 HA ARG A 15 21.725 -8.419 -7.180 1.00 22.43 H new ATOM 0 HB2 ARG A 15 24.594 -8.831 -7.189 1.00 32.30 H new ATOM 0 HB3 ARG A 15 24.237 -7.271 -6.474 1.00 32.30 H new ATOM 0 HG2 ARG A 15 22.901 -8.230 -4.755 1.00 21.31 H new ATOM 0 HG3 ARG A 15 22.749 -9.757 -5.601 1.00 21.31 H new ATOM 0 HD2 ARG A 15 24.520 -10.519 -4.442 1.00 45.33 H new ATOM 0 HD3 ARG A 15 25.529 -9.383 -5.314 1.00 45.33 H new ATOM 0 HE ARG A 15 24.589 -9.146 -2.548 1.00 75.04 H new ATOM 0 HH11 ARG A 15 25.828 -7.449 -5.385 1.00 31.51 H new ATOM 0 HH12 ARG A 15 26.455 -6.093 -4.443 1.00 31.51 H new ATOM 0 HH21 ARG A 15 25.394 -7.400 -1.345 1.00 43.54 H new ATOM 0 HH22 ARG A 15 26.210 -6.065 -2.165 1.00 43.54 H new ATOM 242 N ALA A 16 23.213 -6.155 -9.029 1.00 62.44 N ATOM 243 CA ALA A 16 23.147 -4.767 -9.469 1.00 62.44 C ATOM 244 C ALA A 16 21.977 -4.549 -10.423 1.00 4.21 C ATOM 245 O ALA A 16 21.328 -3.503 -10.395 1.00 53.43 O ATOM 246 CB ALA A 16 24.455 -4.361 -10.133 1.00 73.43 C ATOM 0 H ALA A 16 23.865 -6.734 -9.558 1.00 62.44 H new ATOM 0 HA ALA A 16 22.988 -4.140 -8.591 1.00 62.44 H new ATOM 0 HB1 ALA A 16 24.392 -3.322 -10.457 1.00 73.43 H new ATOM 0 HB2 ALA A 16 25.273 -4.470 -9.421 1.00 73.43 H new ATOM 0 HB3 ALA A 16 24.638 -5.000 -10.997 1.00 73.43 H new ATOM 252 N LEU A 17 21.714 -5.541 -11.266 1.00 42.01 N ATOM 253 CA LEU A 17 20.622 -5.457 -12.230 1.00 1.14 C ATOM 254 C LEU A 17 19.279 -5.323 -11.520 1.00 33.02 C ATOM 255 O LEU A 17 18.572 -4.329 -11.688 1.00 54.43 O ATOM 256 CB LEU A 17 20.615 -6.693 -13.131 1.00 13.21 C ATOM 257 CG LEU A 17 19.889 -6.544 -14.468 1.00 53.24 C ATOM 258 CD1 LEU A 17 18.391 -6.396 -14.249 1.00 61.13 C ATOM 259 CD2 LEU A 17 20.436 -5.354 -15.243 1.00 2.22 C ATOM 0 H LEU A 17 22.242 -6.413 -11.302 1.00 42.01 H new ATOM 0 HA LEU A 17 20.778 -4.569 -12.843 1.00 1.14 H new ATOM 0 HB2 LEU A 17 21.648 -6.978 -13.331 1.00 13.21 H new ATOM 0 HB3 LEU A 17 20.158 -7.516 -12.582 1.00 13.21 H new ATOM 0 HG LEU A 17 20.062 -7.446 -15.055 1.00 53.24 H new ATOM 0 HD11 LEU A 17 17.891 -6.291 -15.212 1.00 61.13 H new ATOM 0 HD12 LEU A 17 18.009 -7.279 -13.736 1.00 61.13 H new ATOM 0 HD13 LEU A 17 18.198 -5.512 -13.642 1.00 61.13 H new ATOM 0 HD21 LEU A 17 19.907 -5.264 -16.192 1.00 2.22 H new ATOM 0 HD22 LEU A 17 20.294 -4.444 -14.660 1.00 2.22 H new ATOM 0 HD23 LEU A 17 21.499 -5.501 -15.433 1.00 2.22 H new ATOM 271 N LEU A 18 18.933 -6.329 -10.724 1.00 23.01 N ATOM 272 CA LEU A 18 17.675 -6.323 -9.986 1.00 22.25 C ATOM 273 C LEU A 18 17.565 -5.081 -9.107 1.00 50.13 C ATOM 274 O LEU A 18 16.478 -4.531 -8.925 1.00 44.34 O ATOM 275 CB LEU A 18 17.561 -7.582 -9.124 1.00 74.34 C ATOM 276 CG LEU A 18 17.752 -8.913 -9.853 1.00 32.24 C ATOM 277 CD1 LEU A 18 17.917 -10.049 -8.855 1.00 1.23 C ATOM 278 CD2 LEU A 18 16.579 -9.185 -10.783 1.00 70.13 C ATOM 0 H LEU A 18 19.506 -7.159 -10.573 1.00 23.01 H new ATOM 0 HA LEU A 18 16.859 -6.308 -10.708 1.00 22.25 H new ATOM 0 HB2 LEU A 18 18.299 -7.519 -8.325 1.00 74.34 H new ATOM 0 HB3 LEU A 18 16.579 -7.587 -8.651 1.00 74.34 H new ATOM 0 HG LEU A 18 18.659 -8.849 -10.454 1.00 32.24 H new ATOM 0 HD11 LEU A 18 18.052 -10.988 -9.392 1.00 1.23 H new ATOM 0 HD12 LEU A 18 18.790 -9.860 -8.230 1.00 1.23 H new ATOM 0 HD13 LEU A 18 17.028 -10.114 -8.228 1.00 1.23 H new ATOM 0 HD21 LEU A 18 16.732 -10.136 -11.293 1.00 70.13 H new ATOM 0 HD22 LEU A 18 15.657 -9.229 -10.203 1.00 70.13 H new ATOM 0 HD23 LEU A 18 16.506 -8.385 -11.520 1.00 70.13 H new ATOM 290 N HIS A 19 18.697 -4.643 -8.566 1.00 43.43 N ATOM 291 CA HIS A 19 18.728 -3.463 -7.709 1.00 45.21 C ATOM 292 C HIS A 19 18.473 -2.196 -8.519 1.00 53.44 C ATOM 293 O HIS A 19 17.783 -1.284 -8.063 1.00 63.20 O ATOM 294 CB HIS A 19 20.076 -3.362 -6.994 1.00 0.41 C ATOM 295 CG HIS A 19 20.261 -2.078 -6.244 1.00 21.52 C ATOM 296 ND1 HIS A 19 19.517 -1.509 -5.267 1.00 2.11 N flip ATOM 297 CD2 HIS A 19 21.316 -1.220 -6.470 1.00 50.32 C flip ATOM 298 CE1 HIS A 19 20.130 -0.329 -4.924 1.00 30.43 C flip ATOM 299 NE2 HIS A 19 21.214 -0.178 -5.664 1.00 23.03 N flip ATOM 0 H HIS A 19 19.605 -5.087 -8.706 1.00 43.43 H new ATOM 0 HA HIS A 19 17.937 -3.563 -6.966 1.00 45.21 H new ATOM 0 HB2 HIS A 19 20.173 -4.196 -6.299 1.00 0.41 H new ATOM 0 HB3 HIS A 19 20.876 -3.463 -7.728 1.00 0.41 H new ATOM 0 HD2 HIS A 19 22.103 -1.375 -7.193 1.00 50.32 H new ATOM 0 HE1 HIS A 19 19.782 0.363 -4.171 1.00 30.43 H new ATOM 0 HE2 HIS A 19 21.862 0.609 -5.621 1.00 23.03 H new ATOM 307 N ALA A 20 19.034 -2.146 -9.723 1.00 54.52 N ATOM 308 CA ALA A 20 18.865 -0.991 -10.597 1.00 22.10 C ATOM 309 C ALA A 20 17.450 -0.932 -11.162 1.00 11.35 C ATOM 310 O ALA A 20 16.803 0.116 -11.135 1.00 73.34 O ATOM 311 CB ALA A 20 19.885 -1.030 -11.726 1.00 34.42 C ATOM 0 H ALA A 20 19.609 -2.891 -10.115 1.00 54.52 H new ATOM 0 HA ALA A 20 19.029 -0.091 -10.004 1.00 22.10 H new ATOM 0 HB1 ALA A 20 19.747 -0.162 -12.371 1.00 34.42 H new ATOM 0 HB2 ALA A 20 20.891 -1.015 -11.308 1.00 34.42 H new ATOM 0 HB3 ALA A 20 19.748 -1.941 -12.309 1.00 34.42 H new ATOM 317 N THR A 21 16.974 -2.063 -11.673 1.00 13.30 N ATOM 318 CA THR A 21 15.636 -2.139 -12.246 1.00 13.22 C ATOM 319 C THR A 21 14.592 -1.587 -11.281 1.00 44.10 C ATOM 320 O THR A 21 13.706 -0.828 -11.676 1.00 62.13 O ATOM 321 CB THR A 21 15.263 -3.588 -12.613 1.00 3.31 C ATOM 322 OG1 THR A 21 16.411 -4.274 -13.125 1.00 41.31 O ATOM 323 CG2 THR A 21 14.147 -3.614 -13.646 1.00 62.33 C ATOM 0 H THR A 21 17.495 -2.939 -11.702 1.00 13.30 H new ATOM 0 HA THR A 21 15.646 -1.533 -13.152 1.00 13.22 H new ATOM 0 HB THR A 21 14.913 -4.090 -11.711 1.00 3.31 H new ATOM 0 HG1 THR A 21 16.988 -4.546 -12.381 1.00 41.31 H new ATOM 0 HG21 THR A 21 13.901 -4.647 -13.890 1.00 62.33 H new ATOM 0 HG22 THR A 21 13.265 -3.116 -13.242 1.00 62.33 H new ATOM 0 HG23 THR A 21 14.474 -3.097 -14.548 1.00 62.33 H new ATOM 331 N LEU A 22 14.703 -1.971 -10.014 1.00 70.33 N ATOM 332 CA LEU A 22 13.769 -1.514 -8.992 1.00 13.24 C ATOM 333 C LEU A 22 14.100 -0.093 -8.548 1.00 4.34 C ATOM 334 O LEU A 22 13.206 0.716 -8.302 1.00 1.11 O ATOM 335 CB LEU A 22 13.798 -2.457 -7.787 1.00 43.53 C ATOM 336 CG LEU A 22 12.944 -3.720 -7.903 1.00 5.23 C ATOM 337 CD1 LEU A 22 13.280 -4.695 -6.785 1.00 64.02 C ATOM 338 CD2 LEU A 22 11.464 -3.367 -7.878 1.00 64.14 C ATOM 0 H LEU A 22 15.431 -2.598 -9.670 1.00 70.33 H new ATOM 0 HA LEU A 22 12.768 -1.516 -9.423 1.00 13.24 H new ATOM 0 HB2 LEU A 22 14.831 -2.756 -7.610 1.00 43.53 H new ATOM 0 HB3 LEU A 22 13.472 -1.901 -6.908 1.00 43.53 H new ATOM 0 HG LEU A 22 13.166 -4.200 -8.856 1.00 5.23 H new ATOM 0 HD11 LEU A 22 12.663 -5.588 -6.883 1.00 64.02 H new ATOM 0 HD12 LEU A 22 14.332 -4.972 -6.848 1.00 64.02 H new ATOM 0 HD13 LEU A 22 13.086 -4.224 -5.821 1.00 64.02 H new ATOM 0 HD21 LEU A 22 10.871 -4.278 -7.962 1.00 64.14 H new ATOM 0 HD22 LEU A 22 11.226 -2.864 -6.941 1.00 64.14 H new ATOM 0 HD23 LEU A 22 11.233 -2.706 -8.714 1.00 64.14 H new ATOM 350 N ALA A 23 15.392 0.205 -8.449 1.00 30.41 N ATOM 351 CA ALA A 23 15.842 1.529 -8.039 1.00 52.10 C ATOM 352 C ALA A 23 15.292 2.607 -8.967 1.00 13.24 C ATOM 353 O ALA A 23 14.679 3.574 -8.514 1.00 25.00 O ATOM 354 CB ALA A 23 17.362 1.583 -8.006 1.00 40.55 C ATOM 0 H ALA A 23 16.145 -0.454 -8.647 1.00 30.41 H new ATOM 0 HA ALA A 23 15.461 1.721 -7.036 1.00 52.10 H new ATOM 0 HB1 ALA A 23 17.684 2.578 -7.698 1.00 40.55 H new ATOM 0 HB2 ALA A 23 17.737 0.845 -7.297 1.00 40.55 H new ATOM 0 HB3 ALA A 23 17.755 1.365 -8.999 1.00 40.55 H new ATOM 360 N GLN A 24 15.515 2.434 -10.265 1.00 40.23 N ATOM 361 CA GLN A 24 15.042 3.394 -11.256 1.00 2.22 C ATOM 362 C GLN A 24 13.536 3.603 -11.136 1.00 3.12 C ATOM 363 O GLN A 24 13.032 4.701 -11.368 1.00 52.21 O ATOM 364 CB GLN A 24 15.392 2.918 -12.667 1.00 22.45 C ATOM 365 CG GLN A 24 16.886 2.893 -12.947 1.00 70.03 C ATOM 366 CD GLN A 24 17.414 4.235 -13.415 1.00 60.33 C ATOM 367 OE1 GLN A 24 18.305 4.815 -12.795 1.00 24.23 O ATOM 368 NE2 GLN A 24 16.866 4.736 -14.516 1.00 34.20 N ATOM 0 H GLN A 24 16.020 1.639 -10.656 1.00 40.23 H new ATOM 0 HA GLN A 24 15.539 4.346 -11.068 1.00 2.22 H new ATOM 0 HB2 GLN A 24 14.986 1.917 -12.815 1.00 22.45 H new ATOM 0 HB3 GLN A 24 14.906 3.570 -13.393 1.00 22.45 H new ATOM 0 HG2 GLN A 24 17.416 2.593 -12.043 1.00 70.03 H new ATOM 0 HG3 GLN A 24 17.097 2.139 -13.705 1.00 70.03 H new ATOM 0 HE21 GLN A 24 16.130 4.221 -14.999 1.00 34.20 H new ATOM 0 HE22 GLN A 24 17.182 5.636 -14.879 1.00 34.20 H new ATOM 377 N ALA A 25 12.824 2.542 -10.772 1.00 72.10 N ATOM 378 CA ALA A 25 11.376 2.610 -10.620 1.00 33.43 C ATOM 379 C ALA A 25 10.989 3.489 -9.435 1.00 71.41 C ATOM 380 O ALA A 25 9.863 3.979 -9.355 1.00 23.43 O ATOM 381 CB ALA A 25 10.796 1.212 -10.454 1.00 45.50 C ATOM 0 H ALA A 25 13.226 1.625 -10.577 1.00 72.10 H new ATOM 0 HA ALA A 25 10.962 3.059 -11.523 1.00 33.43 H new ATOM 0 HB1 ALA A 25 9.714 1.278 -10.341 1.00 45.50 H new ATOM 0 HB2 ALA A 25 11.034 0.613 -11.333 1.00 45.50 H new ATOM 0 HB3 ALA A 25 11.225 0.743 -9.568 1.00 45.50 H new ATOM 387 N GLY A 26 11.930 3.684 -8.516 1.00 60.33 N ATOM 388 CA GLY A 26 11.667 4.503 -7.348 1.00 4.03 C ATOM 389 C GLY A 26 11.668 3.698 -6.063 1.00 43.22 C ATOM 390 O GLY A 26 12.049 4.203 -5.007 1.00 32.15 O ATOM 0 H GLY A 26 12.869 3.289 -8.560 1.00 60.33 H new ATOM 0 HA2 GLY A 26 12.420 5.288 -7.282 1.00 4.03 H new ATOM 0 HA3 GLY A 26 10.702 4.996 -7.464 1.00 4.03 H new ATOM 394 N TYR A 27 11.240 2.444 -6.153 1.00 1.04 N ATOM 395 CA TYR A 27 11.189 1.569 -4.987 1.00 61.15 C ATOM 396 C TYR A 27 12.530 1.550 -4.261 1.00 4.42 C ATOM 397 O TYR A 27 13.576 1.799 -4.860 1.00 21.01 O ATOM 398 CB TYR A 27 10.804 0.149 -5.406 1.00 52.14 C ATOM 399 CG TYR A 27 9.572 0.089 -6.281 1.00 12.11 C ATOM 400 CD1 TYR A 27 9.654 -0.327 -7.604 1.00 21.43 C ATOM 401 CD2 TYR A 27 8.325 0.448 -5.784 1.00 11.25 C ATOM 402 CE1 TYR A 27 8.531 -0.383 -8.406 1.00 41.03 C ATOM 403 CE2 TYR A 27 7.196 0.394 -6.578 1.00 43.45 C ATOM 404 CZ TYR A 27 7.305 -0.021 -7.889 1.00 74.31 C ATOM 405 OH TYR A 27 6.183 -0.077 -8.685 1.00 44.40 O ATOM 0 H TYR A 27 10.923 2.010 -7.020 1.00 1.04 H new ATOM 0 HA TYR A 27 10.433 1.958 -4.305 1.00 61.15 H new ATOM 0 HB2 TYR A 27 11.640 -0.303 -5.939 1.00 52.14 H new ATOM 0 HB3 TYR A 27 10.634 -0.451 -4.512 1.00 52.14 H new ATOM 0 HD1 TYR A 27 10.612 -0.612 -8.012 1.00 21.43 H new ATOM 0 HD2 TYR A 27 8.237 0.775 -4.759 1.00 11.25 H new ATOM 0 HE1 TYR A 27 8.613 -0.709 -9.433 1.00 41.03 H new ATOM 0 HE2 TYR A 27 6.234 0.675 -6.175 1.00 43.45 H new ATOM 0 HH TYR A 27 5.401 0.210 -8.169 1.00 44.40 H new ATOM 415 N GLU A 28 12.490 1.253 -2.966 1.00 4.23 N ATOM 416 CA GLU A 28 13.702 1.202 -2.157 1.00 4.24 C ATOM 417 C GLU A 28 14.218 -0.229 -2.039 1.00 64.11 C ATOM 418 O GLU A 28 14.058 -0.876 -1.004 1.00 54.10 O ATOM 419 CB GLU A 28 13.437 1.776 -0.763 1.00 54.13 C ATOM 420 CG GLU A 28 14.701 2.139 -0.003 1.00 62.10 C ATOM 421 CD GLU A 28 14.424 3.006 1.209 1.00 4.45 C ATOM 422 OE1 GLU A 28 13.569 2.620 2.033 1.00 4.14 O ATOM 423 OE2 GLU A 28 15.064 4.072 1.334 1.00 12.01 O ATOM 0 H GLU A 28 11.632 1.044 -2.455 1.00 4.23 H new ATOM 0 HA GLU A 28 14.463 1.805 -2.652 1.00 4.24 H new ATOM 0 HB2 GLU A 28 12.813 2.664 -0.858 1.00 54.13 H new ATOM 0 HB3 GLU A 28 12.870 1.049 -0.182 1.00 54.13 H new ATOM 0 HG2 GLU A 28 15.204 1.226 0.315 1.00 62.10 H new ATOM 0 HG3 GLU A 28 15.384 2.663 -0.671 1.00 62.10 H new ATOM 430 N VAL A 29 14.839 -0.718 -3.108 1.00 52.13 N ATOM 431 CA VAL A 29 15.379 -2.072 -3.126 1.00 41.02 C ATOM 432 C VAL A 29 16.824 -2.094 -2.639 1.00 15.21 C ATOM 433 O VAL A 29 17.593 -1.168 -2.900 1.00 22.42 O ATOM 434 CB VAL A 29 15.316 -2.683 -4.539 1.00 1.23 C ATOM 435 CG1 VAL A 29 16.012 -1.778 -5.544 1.00 5.25 C ATOM 436 CG2 VAL A 29 15.932 -4.074 -4.545 1.00 50.22 C ATOM 0 H VAL A 29 14.980 -0.196 -3.973 1.00 52.13 H new ATOM 0 HA VAL A 29 14.762 -2.667 -2.453 1.00 41.02 H new ATOM 0 HB VAL A 29 14.270 -2.772 -4.831 1.00 1.23 H new ATOM 0 HG11 VAL A 29 15.957 -2.226 -6.536 1.00 5.25 H new ATOM 0 HG12 VAL A 29 15.522 -0.805 -5.558 1.00 5.25 H new ATOM 0 HG13 VAL A 29 17.057 -1.654 -5.259 1.00 5.25 H new ATOM 0 HG21 VAL A 29 15.879 -4.491 -5.551 1.00 50.22 H new ATOM 0 HG22 VAL A 29 16.974 -4.012 -4.232 1.00 50.22 H new ATOM 0 HG23 VAL A 29 15.384 -4.717 -3.856 1.00 50.22 H new ATOM 446 N THR A 30 17.187 -3.157 -1.929 1.00 60.50 N ATOM 447 CA THR A 30 18.539 -3.300 -1.404 1.00 61.51 C ATOM 448 C THR A 30 19.032 -4.737 -1.538 1.00 51.33 C ATOM 449 O THR A 30 18.257 -5.684 -1.407 1.00 22.40 O ATOM 450 CB THR A 30 18.615 -2.880 0.076 1.00 54.12 C ATOM 451 OG1 THR A 30 18.138 -1.538 0.229 1.00 63.23 O ATOM 452 CG2 THR A 30 20.041 -2.979 0.594 1.00 22.35 C ATOM 0 H THR A 30 16.563 -3.932 -1.704 1.00 60.50 H new ATOM 0 HA THR A 30 19.178 -2.643 -1.994 1.00 61.51 H new ATOM 0 HB THR A 30 17.987 -3.557 0.656 1.00 54.12 H new ATOM 0 HG1 THR A 30 18.188 -1.279 1.173 1.00 63.23 H new ATOM 0 HG21 THR A 30 20.070 -2.677 1.641 1.00 22.35 H new ATOM 0 HG22 THR A 30 20.391 -4.007 0.503 1.00 22.35 H new ATOM 0 HG23 THR A 30 20.687 -2.323 0.010 1.00 22.35 H new ATOM 460 N VAL A 31 20.326 -4.892 -1.800 1.00 51.50 N ATOM 461 CA VAL A 31 20.923 -6.213 -1.950 1.00 72.31 C ATOM 462 C VAL A 31 21.643 -6.639 -0.676 1.00 11.04 C ATOM 463 O VAL A 31 22.084 -5.801 0.110 1.00 44.44 O ATOM 464 CB VAL A 31 21.918 -6.250 -3.125 1.00 53.34 C ATOM 465 CG1 VAL A 31 21.183 -6.118 -4.451 1.00 64.30 C ATOM 466 CG2 VAL A 31 22.961 -5.153 -2.974 1.00 23.34 C ATOM 0 H VAL A 31 20.981 -4.118 -1.913 1.00 51.50 H new ATOM 0 HA VAL A 31 20.107 -6.907 -2.152 1.00 72.31 H new ATOM 0 HB VAL A 31 22.431 -7.212 -3.114 1.00 53.34 H new ATOM 0 HG11 VAL A 31 21.902 -6.146 -5.270 1.00 64.30 H new ATOM 0 HG12 VAL A 31 20.477 -6.942 -4.559 1.00 64.30 H new ATOM 0 HG13 VAL A 31 20.643 -5.172 -4.475 1.00 64.30 H new ATOM 0 HG21 VAL A 31 23.656 -5.194 -3.813 1.00 23.34 H new ATOM 0 HG22 VAL A 31 22.467 -4.181 -2.959 1.00 23.34 H new ATOM 0 HG23 VAL A 31 23.508 -5.297 -2.042 1.00 23.34 H new ATOM 476 N ALA A 32 21.758 -7.948 -0.477 1.00 2.02 N ATOM 477 CA ALA A 32 22.427 -8.486 0.701 1.00 2.33 C ATOM 478 C ALA A 32 23.708 -9.220 0.318 1.00 12.43 C ATOM 479 O ALA A 32 24.089 -9.253 -0.851 1.00 60.32 O ATOM 480 CB ALA A 32 21.492 -9.414 1.462 1.00 52.02 C ATOM 0 H ALA A 32 21.396 -8.656 -1.117 1.00 2.02 H new ATOM 0 HA ALA A 32 22.697 -7.651 1.347 1.00 2.33 H new ATOM 0 HB1 ALA A 32 22.005 -9.808 2.339 1.00 52.02 H new ATOM 0 HB2 ALA A 32 20.607 -8.861 1.777 1.00 52.02 H new ATOM 0 HB3 ALA A 32 21.193 -10.239 0.816 1.00 52.02 H new ATOM 486 N ALA A 33 24.368 -9.806 1.312 1.00 41.33 N ATOM 487 CA ALA A 33 25.605 -10.540 1.078 1.00 23.11 C ATOM 488 C ALA A 33 25.324 -12.010 0.785 1.00 42.13 C ATOM 489 O ALA A 33 26.013 -12.634 -0.022 1.00 72.45 O ATOM 490 CB ALA A 33 26.532 -10.407 2.277 1.00 25.21 C ATOM 0 H ALA A 33 24.067 -9.786 2.286 1.00 41.33 H new ATOM 0 HA ALA A 33 26.094 -10.109 0.204 1.00 23.11 H new ATOM 0 HB1 ALA A 33 27.452 -10.960 2.089 1.00 25.21 H new ATOM 0 HB2 ALA A 33 26.768 -9.355 2.440 1.00 25.21 H new ATOM 0 HB3 ALA A 33 26.041 -10.810 3.163 1.00 25.21 H new ATOM 496 N ASP A 34 24.310 -12.557 1.445 1.00 15.43 N ATOM 497 CA ASP A 34 23.937 -13.954 1.255 1.00 42.41 C ATOM 498 C ASP A 34 22.459 -14.169 1.563 1.00 12.14 C ATOM 499 O ASP A 34 21.820 -13.335 2.203 1.00 11.42 O ATOM 500 CB ASP A 34 24.793 -14.857 2.143 1.00 22.44 C ATOM 501 CG ASP A 34 24.779 -16.302 1.684 1.00 22.11 C ATOM 502 OD1 ASP A 34 24.781 -16.535 0.457 1.00 40.11 O ATOM 503 OD2 ASP A 34 24.767 -17.200 2.552 1.00 61.04 O ATOM 0 H ASP A 34 23.731 -12.054 2.117 1.00 15.43 H new ATOM 0 HA ASP A 34 24.112 -14.213 0.211 1.00 42.41 H new ATOM 0 HB2 ASP A 34 25.819 -14.490 2.147 1.00 22.44 H new ATOM 0 HB3 ASP A 34 24.430 -14.801 3.169 1.00 22.44 H new ATOM 508 N GLY A 35 21.921 -15.294 1.102 1.00 32.15 N ATOM 509 CA GLY A 35 20.521 -15.598 1.338 1.00 25.11 C ATOM 510 C GLY A 35 20.146 -15.501 2.803 1.00 31.54 C ATOM 511 O GLY A 35 19.020 -15.136 3.139 1.00 52.13 O ATOM 0 H GLY A 35 22.429 -16.000 0.570 1.00 32.15 H new ATOM 0 HA2 GLY A 35 19.901 -14.912 0.761 1.00 25.11 H new ATOM 0 HA3 GLY A 35 20.305 -16.603 0.977 1.00 25.11 H new ATOM 515 N GLU A 36 21.091 -15.832 3.678 1.00 10.41 N ATOM 516 CA GLU A 36 20.851 -15.782 5.116 1.00 63.34 C ATOM 517 C GLU A 36 20.927 -14.348 5.631 1.00 44.01 C ATOM 518 O GLU A 36 20.082 -13.912 6.412 1.00 71.14 O ATOM 519 CB GLU A 36 21.867 -16.656 5.855 1.00 40.13 C ATOM 520 CG GLU A 36 21.824 -16.495 7.365 1.00 52.41 C ATOM 521 CD GLU A 36 22.540 -17.616 8.092 1.00 31.02 C ATOM 522 OE1 GLU A 36 22.595 -17.575 9.339 1.00 72.50 O ATOM 523 OE2 GLU A 36 23.045 -18.535 7.414 1.00 43.44 O ATOM 0 H GLU A 36 22.029 -16.137 3.417 1.00 10.41 H new ATOM 0 HA GLU A 36 19.848 -16.164 5.305 1.00 63.34 H new ATOM 0 HB2 GLU A 36 21.685 -17.701 5.604 1.00 40.13 H new ATOM 0 HB3 GLU A 36 22.869 -16.413 5.501 1.00 40.13 H new ATOM 0 HG2 GLU A 36 22.277 -15.542 7.638 1.00 52.41 H new ATOM 0 HG3 GLU A 36 20.785 -16.459 7.693 1.00 52.41 H new ATOM 530 N ALA A 37 21.947 -13.620 5.188 1.00 3.24 N ATOM 531 CA ALA A 37 22.134 -12.235 5.603 1.00 51.11 C ATOM 532 C ALA A 37 20.940 -11.376 5.201 1.00 35.05 C ATOM 533 O ALA A 37 20.559 -10.451 5.918 1.00 72.22 O ATOM 534 CB ALA A 37 23.415 -11.673 5.005 1.00 62.10 C ATOM 0 H ALA A 37 22.656 -13.966 4.542 1.00 3.24 H new ATOM 0 HA ALA A 37 22.214 -12.215 6.690 1.00 51.11 H new ATOM 0 HB1 ALA A 37 23.542 -10.638 5.323 1.00 62.10 H new ATOM 0 HB2 ALA A 37 24.265 -12.264 5.345 1.00 62.10 H new ATOM 0 HB3 ALA A 37 23.357 -11.713 3.917 1.00 62.10 H new ATOM 540 N GLY A 38 20.352 -11.688 4.050 1.00 21.11 N ATOM 541 CA GLY A 38 19.207 -10.934 3.573 1.00 24.51 C ATOM 542 C GLY A 38 17.930 -11.294 4.306 1.00 61.52 C ATOM 543 O GLY A 38 17.221 -10.418 4.801 1.00 44.34 O ATOM 0 H GLY A 38 20.648 -12.449 3.439 1.00 21.11 H new ATOM 0 HA2 GLY A 38 19.402 -9.868 3.692 1.00 24.51 H new ATOM 0 HA3 GLY A 38 19.074 -11.117 2.507 1.00 24.51 H new ATOM 547 N PHE A 39 17.634 -12.588 4.374 1.00 32.15 N ATOM 548 CA PHE A 39 16.431 -13.062 5.050 1.00 64.13 C ATOM 549 C PHE A 39 16.470 -12.718 6.536 1.00 45.23 C ATOM 550 O PHE A 39 15.493 -12.220 7.094 1.00 1.35 O ATOM 551 CB PHE A 39 16.282 -14.574 4.869 1.00 73.13 C ATOM 552 CG PHE A 39 15.275 -14.956 3.821 1.00 10.34 C ATOM 553 CD1 PHE A 39 13.957 -14.541 3.925 1.00 31.20 C ATOM 554 CD2 PHE A 39 15.647 -15.728 2.733 1.00 32.31 C ATOM 555 CE1 PHE A 39 13.028 -14.892 2.963 1.00 5.31 C ATOM 556 CE2 PHE A 39 14.723 -16.082 1.768 1.00 52.43 C ATOM 557 CZ PHE A 39 13.412 -15.662 1.882 1.00 1.25 C ATOM 0 H PHE A 39 18.210 -13.327 3.970 1.00 32.15 H new ATOM 0 HA PHE A 39 15.572 -12.562 4.602 1.00 64.13 H new ATOM 0 HB2 PHE A 39 17.250 -14.997 4.602 1.00 73.13 H new ATOM 0 HB3 PHE A 39 15.991 -15.019 5.821 1.00 73.13 H new ATOM 0 HD1 PHE A 39 13.652 -13.937 4.767 1.00 31.20 H new ATOM 0 HD2 PHE A 39 16.671 -16.057 2.637 1.00 32.31 H new ATOM 0 HE1 PHE A 39 12.003 -14.565 3.056 1.00 5.31 H new ATOM 0 HE2 PHE A 39 15.026 -16.686 0.926 1.00 52.43 H new ATOM 0 HZ PHE A 39 12.689 -15.935 1.128 1.00 1.25 H new ATOM 567 N ASP A 40 17.606 -12.988 7.169 1.00 4.45 N ATOM 568 CA ASP A 40 17.775 -12.706 8.591 1.00 75.55 C ATOM 569 C ASP A 40 17.420 -11.256 8.903 1.00 3.01 C ATOM 570 O ASP A 40 16.793 -10.965 9.923 1.00 42.44 O ATOM 571 CB ASP A 40 19.212 -12.998 9.023 1.00 2.03 C ATOM 572 CG ASP A 40 19.518 -12.469 10.411 1.00 52.33 C ATOM 573 OD1 ASP A 40 18.644 -12.583 11.296 1.00 53.35 O ATOM 574 OD2 ASP A 40 20.631 -11.941 10.612 1.00 65.11 O ATOM 0 H ASP A 40 18.424 -13.402 6.721 1.00 4.45 H new ATOM 0 HA ASP A 40 17.098 -13.354 9.148 1.00 75.55 H new ATOM 0 HB2 ASP A 40 19.383 -14.074 9.002 1.00 2.03 H new ATOM 0 HB3 ASP A 40 19.902 -12.551 8.307 1.00 2.03 H new ATOM 579 N LEU A 41 17.826 -10.350 8.021 1.00 45.13 N ATOM 580 CA LEU A 41 17.553 -8.928 8.203 1.00 60.54 C ATOM 581 C LEU A 41 16.131 -8.588 7.770 1.00 55.10 C ATOM 582 O LEU A 41 15.486 -7.717 8.353 1.00 34.11 O ATOM 583 CB LEU A 41 18.555 -8.090 7.406 1.00 32.35 C ATOM 584 CG LEU A 41 20.019 -8.211 7.831 1.00 33.54 C ATOM 585 CD1 LEU A 41 20.928 -7.543 6.812 1.00 54.31 C ATOM 586 CD2 LEU A 41 20.225 -7.605 9.212 1.00 63.03 C ATOM 0 H LEU A 41 18.346 -10.574 7.172 1.00 45.13 H new ATOM 0 HA LEU A 41 17.656 -8.696 9.263 1.00 60.54 H new ATOM 0 HB2 LEU A 41 18.478 -8.370 6.355 1.00 32.35 H new ATOM 0 HB3 LEU A 41 18.262 -7.043 7.479 1.00 32.35 H new ATOM 0 HG LEU A 41 20.278 -9.269 7.878 1.00 33.54 H new ATOM 0 HD11 LEU A 41 21.966 -7.639 7.132 1.00 54.31 H new ATOM 0 HD12 LEU A 41 20.801 -8.023 5.842 1.00 54.31 H new ATOM 0 HD13 LEU A 41 20.670 -6.487 6.731 1.00 54.31 H new ATOM 0 HD21 LEU A 41 21.272 -7.700 9.498 1.00 63.03 H new ATOM 0 HD22 LEU A 41 19.948 -6.551 9.192 1.00 63.03 H new ATOM 0 HD23 LEU A 41 19.602 -8.130 9.936 1.00 63.03 H new ATOM 598 N ALA A 42 15.647 -9.282 6.745 1.00 20.31 N ATOM 599 CA ALA A 42 14.300 -9.057 6.237 1.00 15.53 C ATOM 600 C ALA A 42 13.265 -9.184 7.350 1.00 31.22 C ATOM 601 O ALA A 42 12.184 -8.601 7.275 1.00 12.03 O ATOM 602 CB ALA A 42 13.990 -10.032 5.111 1.00 15.24 C ATOM 0 H ALA A 42 16.169 -10.005 6.250 1.00 20.31 H new ATOM 0 HA ALA A 42 14.251 -8.041 5.846 1.00 15.53 H new ATOM 0 HB1 ALA A 42 12.980 -9.852 4.741 1.00 15.24 H new ATOM 0 HB2 ALA A 42 14.704 -9.890 4.300 1.00 15.24 H new ATOM 0 HB3 ALA A 42 14.063 -11.054 5.484 1.00 15.24 H new ATOM 608 N ALA A 43 13.603 -9.951 8.381 1.00 23.23 N ATOM 609 CA ALA A 43 12.704 -10.154 9.510 1.00 31.12 C ATOM 610 C ALA A 43 12.843 -9.030 10.532 1.00 73.34 C ATOM 611 O ALA A 43 11.891 -8.700 11.240 1.00 3.43 O ATOM 612 CB ALA A 43 12.974 -11.501 10.165 1.00 54.14 C ATOM 0 H ALA A 43 14.494 -10.442 8.458 1.00 23.23 H new ATOM 0 HA ALA A 43 11.681 -10.144 9.134 1.00 31.12 H new ATOM 0 HB1 ALA A 43 12.295 -11.639 11.007 1.00 54.14 H new ATOM 0 HB2 ALA A 43 12.817 -12.297 9.438 1.00 54.14 H new ATOM 0 HB3 ALA A 43 14.004 -11.533 10.521 1.00 54.14 H new ATOM 618 N THR A 44 14.035 -8.446 10.603 1.00 14.24 N ATOM 619 CA THR A 44 14.299 -7.360 11.539 1.00 35.44 C ATOM 620 C THR A 44 13.872 -6.017 10.958 1.00 22.22 C ATOM 621 O THR A 44 13.529 -5.091 11.694 1.00 40.24 O ATOM 622 CB THR A 44 15.791 -7.294 11.916 1.00 53.50 C ATOM 623 OG1 THR A 44 15.932 -6.973 13.305 1.00 74.45 O ATOM 624 CG2 THR A 44 16.515 -6.254 11.075 1.00 41.35 C ATOM 0 H THR A 44 14.833 -8.707 10.024 1.00 14.24 H new ATOM 0 HA THR A 44 13.715 -7.566 12.436 1.00 35.44 H new ATOM 0 HB THR A 44 16.236 -8.270 11.722 1.00 53.50 H new ATOM 0 HG1 THR A 44 16.883 -6.935 13.537 1.00 74.45 H new ATOM 0 HG21 THR A 44 17.567 -6.225 11.359 1.00 41.35 H new ATOM 0 HG22 THR A 44 16.431 -6.516 10.020 1.00 41.35 H new ATOM 0 HG23 THR A 44 16.067 -5.275 11.242 1.00 41.35 H new ATOM 632 N THR A 45 13.895 -5.917 9.633 1.00 40.03 N ATOM 633 CA THR A 45 13.511 -4.687 8.952 1.00 2.55 C ATOM 634 C THR A 45 12.101 -4.790 8.384 1.00 54.41 C ATOM 635 O THR A 45 11.359 -3.808 8.357 1.00 40.14 O ATOM 636 CB THR A 45 14.489 -4.347 7.812 1.00 52.15 C ATOM 637 OG1 THR A 45 15.707 -3.821 8.350 1.00 12.13 O ATOM 638 CG2 THR A 45 13.874 -3.337 6.855 1.00 53.14 C ATOM 0 H THR A 45 14.176 -6.674 9.010 1.00 40.03 H new ATOM 0 HA THR A 45 13.542 -3.891 9.696 1.00 2.55 H new ATOM 0 HB THR A 45 14.702 -5.263 7.262 1.00 52.15 H new ATOM 0 HG1 THR A 45 16.323 -3.609 7.618 1.00 12.13 H new ATOM 0 HG21 THR A 45 14.583 -3.112 6.058 1.00 53.14 H new ATOM 0 HG22 THR A 45 12.963 -3.752 6.424 1.00 53.14 H new ATOM 0 HG23 THR A 45 13.635 -2.422 7.396 1.00 53.14 H new ATOM 646 N ALA A 46 11.736 -5.985 7.931 1.00 11.23 N ATOM 647 CA ALA A 46 10.413 -6.216 7.366 1.00 75.32 C ATOM 648 C ALA A 46 10.215 -5.413 6.085 1.00 53.02 C ATOM 649 O ALA A 46 9.720 -4.286 6.117 1.00 35.24 O ATOM 650 CB ALA A 46 9.336 -5.866 8.382 1.00 33.32 C ATOM 0 H ALA A 46 12.338 -6.808 7.945 1.00 11.23 H new ATOM 0 HA ALA A 46 10.332 -7.274 7.117 1.00 75.32 H new ATOM 0 HB1 ALA A 46 8.353 -6.044 7.946 1.00 33.32 H new ATOM 0 HB2 ALA A 46 9.457 -6.488 9.269 1.00 33.32 H new ATOM 0 HB3 ALA A 46 9.425 -4.816 8.660 1.00 33.32 H new ATOM 656 N TYR A 47 10.605 -5.999 4.959 1.00 41.05 N ATOM 657 CA TYR A 47 10.473 -5.336 3.667 1.00 65.04 C ATOM 658 C TYR A 47 9.136 -5.675 3.014 1.00 5.53 C ATOM 659 O TYR A 47 8.375 -6.497 3.524 1.00 52.41 O ATOM 660 CB TYR A 47 11.622 -5.742 2.742 1.00 61.42 C ATOM 661 CG TYR A 47 12.980 -5.289 3.228 1.00 42.33 C ATOM 662 CD1 TYR A 47 13.639 -5.968 4.245 1.00 15.13 C ATOM 663 CD2 TYR A 47 13.605 -4.181 2.668 1.00 23.12 C ATOM 664 CE1 TYR A 47 14.879 -5.556 4.693 1.00 71.33 C ATOM 665 CE2 TYR A 47 14.846 -3.763 3.108 1.00 24.13 C ATOM 666 CZ TYR A 47 15.479 -4.454 4.121 1.00 12.40 C ATOM 667 OH TYR A 47 16.715 -4.041 4.563 1.00 61.31 O ATOM 0 H TYR A 47 11.015 -6.932 4.914 1.00 41.05 H new ATOM 0 HA TYR A 47 10.512 -4.260 3.834 1.00 65.04 H new ATOM 0 HB2 TYR A 47 11.626 -6.827 2.637 1.00 61.42 H new ATOM 0 HB3 TYR A 47 11.443 -5.326 1.750 1.00 61.42 H new ATOM 0 HD1 TYR A 47 13.174 -6.833 4.693 1.00 15.13 H new ATOM 0 HD2 TYR A 47 13.112 -3.638 1.875 1.00 23.12 H new ATOM 0 HE1 TYR A 47 15.376 -6.094 5.487 1.00 71.33 H new ATOM 0 HE2 TYR A 47 15.318 -2.900 2.662 1.00 24.13 H new ATOM 0 HH TYR A 47 16.997 -3.251 4.055 1.00 61.31 H new ATOM 677 N ASP A 48 8.859 -5.035 1.884 1.00 52.14 N ATOM 678 CA ASP A 48 7.615 -5.268 1.159 1.00 60.12 C ATOM 679 C ASP A 48 7.747 -6.467 0.225 1.00 71.20 C ATOM 680 O ASP A 48 6.798 -7.229 0.038 1.00 35.51 O ATOM 681 CB ASP A 48 7.225 -4.024 0.360 1.00 54.05 C ATOM 682 CG ASP A 48 5.730 -3.771 0.376 1.00 50.22 C ATOM 683 OD1 ASP A 48 4.980 -4.610 -0.165 1.00 73.13 O ATOM 684 OD2 ASP A 48 5.310 -2.734 0.930 1.00 3.14 O ATOM 0 H ASP A 48 9.479 -4.351 1.450 1.00 52.14 H new ATOM 0 HA ASP A 48 6.833 -5.482 1.888 1.00 60.12 H new ATOM 0 HB2 ASP A 48 7.742 -3.156 0.769 1.00 54.05 H new ATOM 0 HB3 ASP A 48 7.560 -4.138 -0.671 1.00 54.05 H new ATOM 689 N LEU A 49 8.929 -6.628 -0.360 1.00 12.22 N ATOM 690 CA LEU A 49 9.185 -7.734 -1.276 1.00 2.12 C ATOM 691 C LEU A 49 10.564 -8.338 -1.028 1.00 35.14 C ATOM 692 O LEU A 49 11.531 -7.620 -0.774 1.00 20.55 O ATOM 693 CB LEU A 49 9.078 -7.257 -2.725 1.00 44.23 C ATOM 694 CG LEU A 49 8.308 -8.172 -3.678 1.00 42.20 C ATOM 695 CD1 LEU A 49 7.933 -7.425 -4.949 1.00 12.05 C ATOM 696 CD2 LEU A 49 9.129 -9.410 -4.008 1.00 32.21 C ATOM 0 H LEU A 49 9.725 -6.007 -0.216 1.00 12.22 H new ATOM 0 HA LEU A 49 8.434 -8.503 -1.097 1.00 2.12 H new ATOM 0 HB2 LEU A 49 8.601 -6.277 -2.729 1.00 44.23 H new ATOM 0 HB3 LEU A 49 10.086 -7.123 -3.118 1.00 44.23 H new ATOM 0 HG LEU A 49 7.390 -8.490 -3.183 1.00 42.20 H new ATOM 0 HD11 LEU A 49 7.386 -8.092 -5.615 1.00 12.05 H new ATOM 0 HD12 LEU A 49 7.306 -6.570 -4.697 1.00 12.05 H new ATOM 0 HD13 LEU A 49 8.838 -7.077 -5.447 1.00 12.05 H new ATOM 0 HD21 LEU A 49 8.566 -10.050 -4.687 1.00 32.21 H new ATOM 0 HD22 LEU A 49 10.064 -9.111 -4.483 1.00 32.21 H new ATOM 0 HD23 LEU A 49 9.347 -9.957 -3.091 1.00 32.21 H new ATOM 708 N VAL A 50 10.646 -9.663 -1.105 1.00 1.40 N ATOM 709 CA VAL A 50 11.907 -10.364 -0.892 1.00 54.31 C ATOM 710 C VAL A 50 12.301 -11.171 -2.124 1.00 22.13 C ATOM 711 O VAL A 50 11.443 -11.651 -2.866 1.00 24.42 O ATOM 712 CB VAL A 50 11.826 -11.307 0.323 1.00 71.35 C ATOM 713 CG1 VAL A 50 13.192 -11.902 0.629 1.00 70.03 C ATOM 714 CG2 VAL A 50 11.273 -10.571 1.533 1.00 15.40 C ATOM 0 H VAL A 50 9.855 -10.272 -1.313 1.00 1.40 H new ATOM 0 HA VAL A 50 12.665 -9.604 -0.702 1.00 54.31 H new ATOM 0 HB VAL A 50 11.146 -12.124 0.082 1.00 71.35 H new ATOM 0 HG11 VAL A 50 13.115 -12.566 1.490 1.00 70.03 H new ATOM 0 HG12 VAL A 50 13.544 -12.467 -0.234 1.00 70.03 H new ATOM 0 HG13 VAL A 50 13.897 -11.100 0.850 1.00 70.03 H new ATOM 0 HG21 VAL A 50 11.223 -11.253 2.382 1.00 15.40 H new ATOM 0 HG22 VAL A 50 11.925 -9.733 1.779 1.00 15.40 H new ATOM 0 HG23 VAL A 50 10.274 -10.199 1.307 1.00 15.40 H new ATOM 724 N LEU A 51 13.604 -11.318 -2.336 1.00 4.55 N ATOM 725 CA LEU A 51 14.114 -12.068 -3.478 1.00 22.11 C ATOM 726 C LEU A 51 15.301 -12.936 -3.073 1.00 61.40 C ATOM 727 O LEU A 51 16.350 -12.428 -2.676 1.00 0.15 O ATOM 728 CB LEU A 51 14.526 -11.112 -4.599 1.00 10.03 C ATOM 729 CG LEU A 51 13.934 -11.401 -5.979 1.00 12.34 C ATOM 730 CD1 LEU A 51 14.169 -12.852 -6.367 1.00 74.21 C ATOM 731 CD2 LEU A 51 12.448 -11.075 -6.000 1.00 14.40 C ATOM 0 H LEU A 51 14.327 -10.927 -1.732 1.00 4.55 H new ATOM 0 HA LEU A 51 13.317 -12.719 -3.839 1.00 22.11 H new ATOM 0 HB2 LEU A 51 14.243 -10.100 -4.309 1.00 10.03 H new ATOM 0 HB3 LEU A 51 15.613 -11.127 -4.681 1.00 10.03 H new ATOM 0 HG LEU A 51 14.435 -10.766 -6.709 1.00 12.34 H new ATOM 0 HD11 LEU A 51 13.741 -13.039 -7.352 1.00 74.21 H new ATOM 0 HD12 LEU A 51 15.240 -13.053 -6.393 1.00 74.21 H new ATOM 0 HD13 LEU A 51 13.695 -13.506 -5.635 1.00 74.21 H new ATOM 0 HD21 LEU A 51 12.043 -11.287 -6.990 1.00 14.40 H new ATOM 0 HD22 LEU A 51 11.931 -11.684 -5.259 1.00 14.40 H new ATOM 0 HD23 LEU A 51 12.304 -10.020 -5.767 1.00 14.40 H new ATOM 743 N THR A 52 15.130 -14.251 -3.178 1.00 52.45 N ATOM 744 CA THR A 52 16.186 -15.190 -2.825 1.00 5.13 C ATOM 745 C THR A 52 16.523 -16.105 -3.996 1.00 61.50 C ATOM 746 O THR A 52 15.704 -16.309 -4.892 1.00 60.23 O ATOM 747 CB THR A 52 15.789 -16.052 -1.612 1.00 33.03 C ATOM 748 OG1 THR A 52 16.729 -17.118 -1.439 1.00 21.01 O ATOM 749 CG2 THR A 52 14.391 -16.626 -1.791 1.00 2.24 C ATOM 0 H THR A 52 14.269 -14.689 -3.505 1.00 52.45 H new ATOM 0 HA THR A 52 17.063 -14.596 -2.568 1.00 5.13 H new ATOM 0 HB THR A 52 15.794 -15.417 -0.726 1.00 33.03 H new ATOM 0 HG1 THR A 52 16.339 -17.955 -1.769 1.00 21.01 H new ATOM 0 HG21 THR A 52 14.132 -17.231 -0.922 1.00 2.24 H new ATOM 0 HG22 THR A 52 13.674 -15.812 -1.893 1.00 2.24 H new ATOM 0 HG23 THR A 52 14.365 -17.247 -2.686 1.00 2.24 H new ATOM 757 N ASP A 53 17.732 -16.655 -3.982 1.00 62.44 N ATOM 758 CA ASP A 53 18.177 -17.552 -5.043 1.00 54.35 C ATOM 759 C ASP A 53 18.876 -18.777 -4.463 1.00 11.33 C ATOM 760 O ASP A 53 19.919 -19.200 -4.959 1.00 63.31 O ATOM 761 CB ASP A 53 19.118 -16.817 -6.000 1.00 33.33 C ATOM 762 CG ASP A 53 20.449 -16.481 -5.357 1.00 52.51 C ATOM 763 OD1 ASP A 53 20.495 -16.364 -4.114 1.00 45.34 O ATOM 764 OD2 ASP A 53 21.444 -16.335 -6.097 1.00 1.43 O ATOM 0 H ASP A 53 18.422 -16.496 -3.248 1.00 62.44 H new ATOM 0 HA ASP A 53 17.298 -17.886 -5.595 1.00 54.35 H new ATOM 0 HB2 ASP A 53 19.289 -17.434 -6.882 1.00 33.33 H new ATOM 0 HB3 ASP A 53 18.640 -15.899 -6.341 1.00 33.33 H new ATOM 895 N LEU A 62 17.561 -19.672 4.777 1.00 44.44 N ATOM 896 CA LEU A 62 16.284 -19.864 4.099 1.00 33.25 C ATOM 897 C LEU A 62 15.234 -20.411 5.062 1.00 2.52 C ATOM 898 O LEU A 62 14.057 -20.062 4.975 1.00 44.22 O ATOM 899 CB LEU A 62 16.451 -20.817 2.915 1.00 74.14 C ATOM 900 CG LEU A 62 17.008 -20.201 1.631 1.00 4.11 C ATOM 901 CD1 LEU A 62 16.108 -19.076 1.144 1.00 3.12 C ATOM 902 CD2 LEU A 62 18.425 -19.694 1.855 1.00 5.31 C ATOM 0 HA LEU A 62 15.946 -18.895 3.732 1.00 33.25 H new ATOM 0 HB2 LEU A 62 17.109 -21.631 3.219 1.00 74.14 H new ATOM 0 HB3 LEU A 62 15.480 -21.259 2.691 1.00 74.14 H new ATOM 0 HG LEU A 62 17.037 -20.973 0.863 1.00 4.11 H new ATOM 0 HD11 LEU A 62 16.521 -18.650 0.229 1.00 3.12 H new ATOM 0 HD12 LEU A 62 15.111 -19.468 0.944 1.00 3.12 H new ATOM 0 HD13 LEU A 62 16.046 -18.302 1.909 1.00 3.12 H new ATOM 0 HD21 LEU A 62 18.806 -19.259 0.931 1.00 5.31 H new ATOM 0 HD22 LEU A 62 18.421 -18.936 2.638 1.00 5.31 H new ATOM 0 HD23 LEU A 62 19.065 -20.523 2.156 1.00 5.31 H new ATOM 914 N GLU A 63 15.670 -21.267 5.981 1.00 71.13 N ATOM 915 CA GLU A 63 14.767 -21.860 6.961 1.00 42.04 C ATOM 916 C GLU A 63 13.952 -20.783 7.671 1.00 70.12 C ATOM 917 O GLU A 63 12.804 -21.010 8.056 1.00 22.11 O ATOM 918 CB GLU A 63 15.557 -22.677 7.986 1.00 52.52 C ATOM 919 CG GLU A 63 14.752 -23.798 8.621 1.00 12.42 C ATOM 920 CD GLU A 63 15.141 -24.050 10.065 1.00 44.12 C ATOM 921 OE1 GLU A 63 14.318 -24.623 10.809 1.00 3.54 O ATOM 922 OE2 GLU A 63 16.268 -23.675 10.450 1.00 44.20 O ATOM 0 H GLU A 63 16.642 -21.565 6.067 1.00 71.13 H new ATOM 0 HA GLU A 63 14.080 -22.521 6.432 1.00 42.04 H new ATOM 0 HB2 GLU A 63 16.435 -23.102 7.500 1.00 52.52 H new ATOM 0 HB3 GLU A 63 15.917 -22.011 8.770 1.00 52.52 H new ATOM 0 HG2 GLU A 63 13.691 -23.551 8.572 1.00 12.42 H new ATOM 0 HG3 GLU A 63 14.893 -24.713 8.046 1.00 12.42 H new ATOM 929 N LEU A 64 14.553 -19.611 7.841 1.00 11.31 N ATOM 930 CA LEU A 64 13.884 -18.497 8.505 1.00 20.45 C ATOM 931 C LEU A 64 12.504 -18.254 7.904 1.00 73.22 C ATOM 932 O LEU A 64 11.574 -17.848 8.602 1.00 23.21 O ATOM 933 CB LEU A 64 14.732 -17.229 8.396 1.00 54.22 C ATOM 934 CG LEU A 64 16.015 -17.205 9.226 1.00 24.31 C ATOM 935 CD1 LEU A 64 16.798 -15.929 8.962 1.00 5.43 C ATOM 936 CD2 LEU A 64 15.695 -17.340 10.708 1.00 71.14 C ATOM 0 H LEU A 64 15.502 -19.407 7.528 1.00 11.31 H new ATOM 0 HA LEU A 64 13.761 -18.754 9.557 1.00 20.45 H new ATOM 0 HB2 LEU A 64 14.998 -17.083 7.349 1.00 54.22 H new ATOM 0 HB3 LEU A 64 14.117 -16.379 8.690 1.00 54.22 H new ATOM 0 HG LEU A 64 16.632 -18.053 8.930 1.00 24.31 H new ATOM 0 HD11 LEU A 64 17.708 -15.930 9.562 1.00 5.43 H new ATOM 0 HD12 LEU A 64 17.060 -15.875 7.905 1.00 5.43 H new ATOM 0 HD13 LEU A 64 16.188 -15.066 9.229 1.00 5.43 H new ATOM 0 HD21 LEU A 64 16.621 -17.321 11.283 1.00 71.14 H new ATOM 0 HD22 LEU A 64 15.057 -16.513 11.019 1.00 71.14 H new ATOM 0 HD23 LEU A 64 15.178 -18.283 10.884 1.00 71.14 H new ATOM 948 N ILE A 65 12.377 -18.507 6.605 1.00 1.15 N ATOM 949 CA ILE A 65 11.109 -18.318 5.911 1.00 24.51 C ATOM 950 C ILE A 65 9.967 -19.001 6.657 1.00 45.42 C ATOM 951 O ILE A 65 8.844 -18.499 6.686 1.00 42.14 O ATOM 952 CB ILE A 65 11.168 -18.867 4.473 1.00 3.51 C ATOM 953 CG1 ILE A 65 12.277 -18.168 3.683 1.00 61.40 C ATOM 954 CG2 ILE A 65 9.825 -18.687 3.782 1.00 13.04 C ATOM 955 CD1 ILE A 65 12.738 -18.948 2.471 1.00 2.33 C ATOM 0 H ILE A 65 13.136 -18.843 6.013 1.00 1.15 H new ATOM 0 HA ILE A 65 10.926 -17.244 5.875 1.00 24.51 H new ATOM 0 HB ILE A 65 11.393 -19.933 4.515 1.00 3.51 H new ATOM 0 HG12 ILE A 65 11.922 -17.189 3.362 1.00 61.40 H new ATOM 0 HG13 ILE A 65 13.129 -17.997 4.341 1.00 61.40 H new ATOM 0 HG21 ILE A 65 9.883 -19.080 2.767 1.00 13.04 H new ATOM 0 HG22 ILE A 65 9.056 -19.225 4.336 1.00 13.04 H new ATOM 0 HG23 ILE A 65 9.573 -17.627 3.747 1.00 13.04 H new ATOM 0 HD11 ILE A 65 13.525 -18.394 1.959 1.00 2.33 H new ATOM 0 HD12 ILE A 65 13.124 -19.917 2.787 1.00 2.33 H new ATOM 0 HD13 ILE A 65 11.898 -19.096 1.792 1.00 2.33 H new ATOM 967 N ALA A 66 10.264 -20.147 7.261 1.00 53.13 N ATOM 968 CA ALA A 66 9.263 -20.896 8.010 1.00 21.32 C ATOM 969 C ALA A 66 8.781 -20.107 9.223 1.00 72.32 C ATOM 970 O ALA A 66 7.597 -20.130 9.559 1.00 42.41 O ATOM 971 CB ALA A 66 9.826 -22.242 8.443 1.00 4.45 C ATOM 0 H ALA A 66 11.189 -20.576 7.246 1.00 53.13 H new ATOM 0 HA ALA A 66 8.407 -21.066 7.356 1.00 21.32 H new ATOM 0 HB1 ALA A 66 9.068 -22.791 9.001 1.00 4.45 H new ATOM 0 HB2 ALA A 66 10.115 -22.816 7.562 1.00 4.45 H new ATOM 0 HB3 ALA A 66 10.699 -22.084 9.076 1.00 4.45 H new ATOM 977 N ALA A 67 9.706 -19.411 9.876 1.00 35.30 N ATOM 978 CA ALA A 67 9.374 -18.614 11.051 1.00 72.44 C ATOM 979 C ALA A 67 8.544 -17.393 10.669 1.00 31.30 C ATOM 980 O ALA A 67 7.673 -16.961 11.425 1.00 12.00 O ATOM 981 CB ALA A 67 10.642 -18.188 11.774 1.00 4.42 C ATOM 0 H ALA A 67 10.691 -19.383 9.611 1.00 35.30 H new ATOM 0 HA ALA A 67 8.776 -19.231 11.722 1.00 72.44 H new ATOM 0 HB1 ALA A 67 10.380 -17.594 12.649 1.00 4.42 H new ATOM 0 HB2 ALA A 67 11.196 -19.072 12.089 1.00 4.42 H new ATOM 0 HB3 ALA A 67 11.261 -17.592 11.103 1.00 4.42 H new ATOM 987 N LEU A 68 8.819 -16.841 9.493 1.00 45.31 N ATOM 988 CA LEU A 68 8.098 -15.668 9.011 1.00 42.22 C ATOM 989 C LEU A 68 6.740 -16.061 8.438 1.00 44.02 C ATOM 990 O LEU A 68 5.765 -15.321 8.564 1.00 35.10 O ATOM 991 CB LEU A 68 8.922 -14.940 7.947 1.00 11.32 C ATOM 992 CG LEU A 68 9.946 -13.930 8.466 1.00 23.13 C ATOM 993 CD1 LEU A 68 11.024 -14.632 9.277 1.00 22.33 C ATOM 994 CD2 LEU A 68 10.565 -13.156 7.311 1.00 14.24 C ATOM 0 H LEU A 68 9.536 -17.187 8.855 1.00 45.31 H new ATOM 0 HA LEU A 68 7.935 -14.999 9.856 1.00 42.22 H new ATOM 0 HB2 LEU A 68 9.447 -15.685 7.350 1.00 11.32 H new ATOM 0 HB3 LEU A 68 8.236 -14.421 7.277 1.00 11.32 H new ATOM 0 HG LEU A 68 9.432 -13.223 9.117 1.00 23.13 H new ATOM 0 HD11 LEU A 68 11.744 -13.898 9.638 1.00 22.33 H new ATOM 0 HD12 LEU A 68 10.567 -15.140 10.126 1.00 22.33 H new ATOM 0 HD13 LEU A 68 11.535 -15.362 8.649 1.00 22.33 H new ATOM 0 HD21 LEU A 68 11.291 -12.442 7.699 1.00 14.24 H new ATOM 0 HD22 LEU A 68 11.064 -13.850 6.634 1.00 14.24 H new ATOM 0 HD23 LEU A 68 9.784 -12.621 6.771 1.00 14.24 H new ATOM 1006 N ARG A 69 6.685 -17.231 7.810 1.00 43.13 N ATOM 1007 CA ARG A 69 5.447 -17.723 7.218 1.00 11.03 C ATOM 1008 C ARG A 69 4.350 -17.841 8.273 1.00 63.42 C ATOM 1009 O ARG A 69 3.248 -17.323 8.096 1.00 4.42 O ATOM 1010 CB ARG A 69 5.679 -19.081 6.553 1.00 34.15 C ATOM 1011 CG ARG A 69 4.577 -19.481 5.586 1.00 61.33 C ATOM 1012 CD ARG A 69 4.295 -20.974 5.649 1.00 22.30 C ATOM 1013 NE ARG A 69 3.446 -21.323 6.785 1.00 60.32 N ATOM 1014 CZ ARG A 69 2.139 -21.092 6.823 1.00 14.34 C ATOM 1015 NH1 ARG A 69 1.534 -20.514 5.794 1.00 34.45 N ATOM 1016 NH2 ARG A 69 1.433 -21.438 7.893 1.00 64.34 N ATOM 0 H ARG A 69 7.483 -17.856 7.698 1.00 43.13 H new ATOM 0 HA ARG A 69 5.125 -17.007 6.462 1.00 11.03 H new ATOM 0 HB2 ARG A 69 6.629 -19.057 6.019 1.00 34.15 H new ATOM 0 HB3 ARG A 69 5.767 -19.844 7.326 1.00 34.15 H new ATOM 0 HG2 ARG A 69 3.668 -18.928 5.820 1.00 61.33 H new ATOM 0 HG3 ARG A 69 4.865 -19.207 4.571 1.00 61.33 H new ATOM 0 HD2 ARG A 69 3.812 -21.291 4.725 1.00 22.30 H new ATOM 0 HD3 ARG A 69 5.237 -21.518 5.720 1.00 22.30 H new ATOM 0 HE ARG A 69 3.881 -21.768 7.593 1.00 60.32 H new ATOM 0 HH11 ARG A 69 2.073 -20.246 4.971 1.00 34.45 H new ATOM 0 HH12 ARG A 69 0.530 -20.338 5.826 1.00 34.45 H new ATOM 0 HH21 ARG A 69 1.895 -21.882 8.687 1.00 64.34 H new ATOM 0 HH22 ARG A 69 0.429 -21.260 7.921 1.00 64.34 H new ATOM 1030 N GLN A 70 4.661 -18.528 9.368 1.00 42.51 N ATOM 1031 CA GLN A 70 3.701 -18.715 10.450 1.00 45.34 C ATOM 1032 C GLN A 70 3.185 -17.373 10.957 1.00 12.42 C ATOM 1033 O GLN A 70 2.020 -17.248 11.338 1.00 1.50 O ATOM 1034 CB GLN A 70 4.342 -19.496 11.598 1.00 11.34 C ATOM 1035 CG GLN A 70 5.601 -18.846 12.148 1.00 3.33 C ATOM 1036 CD GLN A 70 6.150 -19.571 13.361 1.00 45.20 C ATOM 1037 OE1 GLN A 70 5.840 -19.222 14.500 1.00 33.54 O ATOM 1038 NE2 GLN A 70 6.972 -20.586 13.122 1.00 22.21 N ATOM 0 H GLN A 70 5.569 -18.964 9.529 1.00 42.51 H new ATOM 0 HA GLN A 70 2.857 -19.284 10.060 1.00 45.34 H new ATOM 0 HB2 GLN A 70 3.616 -19.602 12.404 1.00 11.34 H new ATOM 0 HB3 GLN A 70 4.583 -20.501 11.252 1.00 11.34 H new ATOM 0 HG2 GLN A 70 6.363 -18.821 11.369 1.00 3.33 H new ATOM 0 HG3 GLN A 70 5.384 -17.812 12.415 1.00 3.33 H new ATOM 0 HE21 GLN A 70 7.202 -20.841 12.161 1.00 22.21 H new ATOM 0 HE22 GLN A 70 7.374 -21.111 13.899 1.00 22.21 H new ATOM 1047 N LEU A 71 4.058 -16.371 10.961 1.00 72.35 N ATOM 1048 CA LEU A 71 3.690 -15.037 11.422 1.00 70.11 C ATOM 1049 C LEU A 71 2.740 -14.363 10.437 1.00 33.14 C ATOM 1050 O LEU A 71 2.765 -14.649 9.240 1.00 12.04 O ATOM 1051 CB LEU A 71 4.942 -14.178 11.610 1.00 55.12 C ATOM 1052 CG LEU A 71 5.471 -14.067 13.040 1.00 62.11 C ATOM 1053 CD1 LEU A 71 4.534 -13.225 13.892 1.00 25.44 C ATOM 1054 CD2 LEU A 71 5.653 -15.449 13.650 1.00 61.42 C ATOM 0 H LEU A 71 5.026 -16.457 10.650 1.00 72.35 H new ATOM 0 HA LEU A 71 3.179 -15.138 12.379 1.00 70.11 H new ATOM 0 HB2 LEU A 71 5.734 -14.584 10.981 1.00 55.12 H new ATOM 0 HB3 LEU A 71 4.728 -13.174 11.244 1.00 55.12 H new ATOM 0 HG LEU A 71 6.443 -13.574 13.010 1.00 62.11 H new ATOM 0 HD11 LEU A 71 4.927 -13.157 14.906 1.00 25.44 H new ATOM 0 HD12 LEU A 71 4.455 -12.225 13.466 1.00 25.44 H new ATOM 0 HD13 LEU A 71 3.548 -13.689 13.915 1.00 25.44 H new ATOM 0 HD21 LEU A 71 6.030 -15.351 14.668 1.00 61.42 H new ATOM 0 HD22 LEU A 71 4.695 -15.968 13.667 1.00 61.42 H new ATOM 0 HD23 LEU A 71 6.365 -16.019 13.053 1.00 61.42 H new ATOM 1066 N SER A 72 1.904 -13.465 10.950 1.00 71.53 N ATOM 1067 CA SER A 72 0.944 -12.751 10.116 1.00 60.41 C ATOM 1068 C SER A 72 1.500 -11.398 9.685 1.00 43.32 C ATOM 1069 O SER A 72 0.764 -10.418 9.576 1.00 74.15 O ATOM 1070 CB SER A 72 -0.373 -12.558 10.869 1.00 12.34 C ATOM 1071 OG SER A 72 -1.435 -12.271 9.976 1.00 43.25 O ATOM 0 H SER A 72 1.872 -13.215 11.938 1.00 71.53 H new ATOM 0 HA SER A 72 0.759 -13.349 9.224 1.00 60.41 H new ATOM 0 HB2 SER A 72 -0.605 -13.458 11.438 1.00 12.34 H new ATOM 0 HB3 SER A 72 -0.269 -11.745 11.588 1.00 12.34 H new ATOM 0 HG SER A 72 -1.200 -11.494 9.427 1.00 43.25 H new ATOM 1077 N ALA A 73 2.806 -11.352 9.441 1.00 10.05 N ATOM 1078 CA ALA A 73 3.462 -10.120 9.020 1.00 31.25 C ATOM 1079 C ALA A 73 4.149 -10.298 7.671 1.00 52.33 C ATOM 1080 O ALA A 73 4.238 -9.358 6.880 1.00 14.11 O ATOM 1081 CB ALA A 73 4.467 -9.672 10.071 1.00 13.43 C ATOM 0 H ALA A 73 3.430 -12.154 9.528 1.00 10.05 H new ATOM 0 HA ALA A 73 2.699 -9.350 8.911 1.00 31.25 H new ATOM 0 HB1 ALA A 73 4.949 -8.751 9.744 1.00 13.43 H new ATOM 0 HB2 ALA A 73 3.952 -9.496 11.015 1.00 13.43 H new ATOM 0 HB3 ALA A 73 5.221 -10.448 10.208 1.00 13.43 H new ATOM 1087 N TYR A 74 4.634 -11.507 7.413 1.00 34.35 N ATOM 1088 CA TYR A 74 5.316 -11.807 6.160 1.00 13.31 C ATOM 1089 C TYR A 74 4.496 -12.774 5.311 1.00 11.32 C ATOM 1090 O TYR A 74 4.615 -12.797 4.087 1.00 41.43 O ATOM 1091 CB TYR A 74 6.698 -12.399 6.437 1.00 64.45 C ATOM 1092 CG TYR A 74 7.472 -11.660 7.505 1.00 52.45 C ATOM 1093 CD1 TYR A 74 7.233 -11.897 8.853 1.00 52.43 C ATOM 1094 CD2 TYR A 74 8.441 -10.723 7.166 1.00 75.11 C ATOM 1095 CE1 TYR A 74 7.936 -11.223 9.832 1.00 4.32 C ATOM 1096 CE2 TYR A 74 9.150 -10.046 8.138 1.00 10.55 C ATOM 1097 CZ TYR A 74 8.894 -10.299 9.470 1.00 2.40 C ATOM 1098 OH TYR A 74 9.598 -9.625 10.442 1.00 53.31 O ATOM 0 H TYR A 74 4.567 -12.296 8.056 1.00 34.35 H new ATOM 0 HA TYR A 74 5.432 -10.875 5.606 1.00 13.31 H new ATOM 0 HB2 TYR A 74 6.584 -13.440 6.738 1.00 64.45 H new ATOM 0 HB3 TYR A 74 7.277 -12.396 5.513 1.00 64.45 H new ATOM 0 HD1 TYR A 74 6.485 -12.621 9.140 1.00 52.43 H new ATOM 0 HD2 TYR A 74 8.643 -10.521 6.124 1.00 75.11 H new ATOM 0 HE1 TYR A 74 7.737 -11.418 10.875 1.00 4.32 H new ATOM 0 HE2 TYR A 74 9.901 -9.322 7.857 1.00 10.55 H new ATOM 0 HH TYR A 74 10.189 -8.966 10.021 1.00 53.31 H new ATOM 1108 N ALA A 75 3.663 -13.571 5.972 1.00 11.22 N ATOM 1109 CA ALA A 75 2.821 -14.538 5.280 1.00 73.41 C ATOM 1110 C ALA A 75 2.095 -13.893 4.105 1.00 51.45 C ATOM 1111 O ALA A 75 1.893 -14.522 3.066 1.00 43.13 O ATOM 1112 CB ALA A 75 1.820 -15.154 6.247 1.00 61.23 C ATOM 0 H ALA A 75 3.553 -13.566 6.986 1.00 11.22 H new ATOM 0 HA ALA A 75 3.464 -15.326 4.888 1.00 73.41 H new ATOM 0 HB1 ALA A 75 1.198 -15.874 5.716 1.00 61.23 H new ATOM 0 HB2 ALA A 75 2.355 -15.659 7.051 1.00 61.23 H new ATOM 0 HB3 ALA A 75 1.190 -14.370 6.667 1.00 61.23 H new ATOM 1118 N ASP A 76 1.704 -12.635 4.276 1.00 42.44 N ATOM 1119 CA ASP A 76 1.001 -11.903 3.228 1.00 34.32 C ATOM 1120 C ASP A 76 1.979 -11.375 2.184 1.00 53.33 C ATOM 1121 O ASP A 76 1.666 -11.324 0.993 1.00 24.25 O ATOM 1122 CB ASP A 76 0.205 -10.745 3.832 1.00 75.32 C ATOM 1123 CG ASP A 76 -1.108 -11.200 4.440 1.00 40.45 C ATOM 1124 OD1 ASP A 76 -1.126 -11.507 5.650 1.00 70.25 O ATOM 1125 OD2 ASP A 76 -2.117 -11.249 3.705 1.00 40.51 O ATOM 0 H ASP A 76 1.862 -12.101 5.130 1.00 42.44 H new ATOM 0 HA ASP A 76 0.312 -12.591 2.738 1.00 34.32 H new ATOM 0 HB2 ASP A 76 0.806 -10.255 4.598 1.00 75.32 H new ATOM 0 HB3 ASP A 76 0.006 -10.002 3.059 1.00 75.32 H new ATOM 1130 N THR A 77 3.165 -10.980 2.637 1.00 54.11 N ATOM 1131 CA THR A 77 4.188 -10.453 1.743 1.00 53.22 C ATOM 1132 C THR A 77 4.476 -11.424 0.604 1.00 25.42 C ATOM 1133 O THR A 77 4.787 -12.596 0.820 1.00 71.23 O ATOM 1134 CB THR A 77 5.498 -10.161 2.498 1.00 11.03 C ATOM 1135 OG1 THR A 77 5.276 -9.155 3.493 1.00 44.45 O ATOM 1136 CG2 THR A 77 6.585 -9.702 1.539 1.00 63.25 C ATOM 0 H THR A 77 3.440 -11.015 3.618 1.00 54.11 H new ATOM 0 HA THR A 77 3.799 -9.521 1.332 1.00 53.22 H new ATOM 0 HB THR A 77 5.827 -11.082 2.980 1.00 11.03 H new ATOM 0 HG1 THR A 77 6.113 -8.976 3.970 1.00 44.45 H new ATOM 0 HG21 THR A 77 7.501 -9.502 2.096 1.00 63.25 H new ATOM 0 HG22 THR A 77 6.772 -10.482 0.801 1.00 63.25 H new ATOM 0 HG23 THR A 77 6.263 -8.793 1.032 1.00 63.25 H new ATOM 1144 N PRO A 78 4.373 -10.929 -0.638 1.00 25.00 N ATOM 1145 CA PRO A 78 4.621 -11.737 -1.836 1.00 21.34 C ATOM 1146 C PRO A 78 6.094 -12.099 -1.997 1.00 13.05 C ATOM 1147 O PRO A 78 6.867 -11.344 -2.587 1.00 73.23 O ATOM 1148 CB PRO A 78 4.166 -10.826 -2.979 1.00 22.54 C ATOM 1149 CG PRO A 78 4.305 -9.444 -2.440 1.00 21.51 C ATOM 1150 CD PRO A 78 4.008 -9.542 -0.969 1.00 52.41 C ATOM 0 HA PRO A 78 4.096 -12.692 -1.799 1.00 21.34 H new ATOM 0 HB2 PRO A 78 4.781 -10.968 -3.867 1.00 22.54 H new ATOM 0 HB3 PRO A 78 3.136 -11.037 -3.267 1.00 22.54 H new ATOM 0 HG2 PRO A 78 5.310 -9.058 -2.610 1.00 21.51 H new ATOM 0 HG3 PRO A 78 3.613 -8.761 -2.933 1.00 21.51 H new ATOM 0 HD2 PRO A 78 4.592 -8.825 -0.393 1.00 52.41 H new ATOM 0 HD3 PRO A 78 2.958 -9.342 -0.757 1.00 52.41 H new ATOM 1158 N ILE A 79 6.475 -13.257 -1.468 1.00 71.02 N ATOM 1159 CA ILE A 79 7.855 -13.718 -1.555 1.00 72.43 C ATOM 1160 C ILE A 79 8.138 -14.352 -2.913 1.00 71.12 C ATOM 1161 O ILE A 79 7.310 -15.088 -3.452 1.00 52.42 O ATOM 1162 CB ILE A 79 8.178 -14.739 -0.448 1.00 2.31 C ATOM 1163 CG1 ILE A 79 7.976 -14.108 0.932 1.00 70.25 C ATOM 1164 CG2 ILE A 79 9.603 -15.250 -0.599 1.00 20.33 C ATOM 1165 CD1 ILE A 79 8.901 -12.943 1.205 1.00 54.55 C ATOM 0 H ILE A 79 5.848 -13.893 -0.975 1.00 71.02 H new ATOM 0 HA ILE A 79 8.489 -12.841 -1.426 1.00 72.43 H new ATOM 0 HB ILE A 79 7.497 -15.585 -0.544 1.00 2.31 H new ATOM 0 HG12 ILE A 79 6.943 -13.770 1.020 1.00 70.25 H new ATOM 0 HG13 ILE A 79 8.129 -14.870 1.697 1.00 70.25 H new ATOM 0 HG21 ILE A 79 9.817 -15.971 0.190 1.00 20.33 H new ATOM 0 HG22 ILE A 79 9.716 -15.732 -1.570 1.00 20.33 H new ATOM 0 HG23 ILE A 79 10.299 -14.414 -0.525 1.00 20.33 H new ATOM 0 HD11 ILE A 79 8.702 -12.546 2.200 1.00 54.55 H new ATOM 0 HD12 ILE A 79 9.936 -13.280 1.149 1.00 54.55 H new ATOM 0 HD13 ILE A 79 8.733 -12.163 0.463 1.00 54.55 H new ATOM 1177 N LEU A 80 9.313 -14.064 -3.461 1.00 3.42 N ATOM 1178 CA LEU A 80 9.708 -14.607 -4.756 1.00 12.30 C ATOM 1179 C LEU A 80 11.065 -15.298 -4.666 1.00 53.32 C ATOM 1180 O LEU A 80 12.074 -14.668 -4.349 1.00 20.11 O ATOM 1181 CB LEU A 80 9.758 -13.494 -5.804 1.00 51.40 C ATOM 1182 CG LEU A 80 8.566 -12.536 -5.823 1.00 40.14 C ATOM 1183 CD1 LEU A 80 8.707 -11.531 -6.956 1.00 71.34 C ATOM 1184 CD2 LEU A 80 7.262 -13.310 -5.953 1.00 41.42 C ATOM 0 H LEU A 80 10.009 -13.457 -3.029 1.00 3.42 H new ATOM 0 HA LEU A 80 8.964 -15.346 -5.055 1.00 12.30 H new ATOM 0 HB2 LEU A 80 10.665 -12.911 -5.643 1.00 51.40 H new ATOM 0 HB3 LEU A 80 9.845 -13.953 -6.789 1.00 51.40 H new ATOM 0 HG LEU A 80 8.548 -11.989 -4.880 1.00 40.14 H new ATOM 0 HD11 LEU A 80 7.850 -10.858 -6.954 1.00 71.34 H new ATOM 0 HD12 LEU A 80 9.622 -10.954 -6.819 1.00 71.34 H new ATOM 0 HD13 LEU A 80 8.751 -12.060 -7.908 1.00 71.34 H new ATOM 0 HD21 LEU A 80 6.424 -12.612 -5.965 1.00 41.42 H new ATOM 0 HD22 LEU A 80 7.270 -13.883 -6.880 1.00 41.42 H new ATOM 0 HD23 LEU A 80 7.156 -13.989 -5.107 1.00 41.42 H new ATOM 1196 N VAL A 81 11.082 -16.596 -4.950 1.00 32.21 N ATOM 1197 CA VAL A 81 12.315 -17.372 -4.905 1.00 22.54 C ATOM 1198 C VAL A 81 12.712 -17.855 -6.295 1.00 61.12 C ATOM 1199 O VAL A 81 11.856 -18.125 -7.139 1.00 10.32 O ATOM 1200 CB VAL A 81 12.178 -18.589 -3.970 1.00 64.45 C ATOM 1201 CG1 VAL A 81 11.090 -19.527 -4.471 1.00 0.05 C ATOM 1202 CG2 VAL A 81 13.508 -19.319 -3.849 1.00 34.22 C ATOM 0 H VAL A 81 10.256 -17.132 -5.214 1.00 32.21 H new ATOM 0 HA VAL A 81 13.091 -16.711 -4.518 1.00 22.54 H new ATOM 0 HB VAL A 81 11.892 -18.235 -2.980 1.00 64.45 H new ATOM 0 HG11 VAL A 81 11.007 -20.381 -3.798 1.00 0.05 H new ATOM 0 HG12 VAL A 81 10.138 -18.996 -4.502 1.00 0.05 H new ATOM 0 HG13 VAL A 81 11.344 -19.877 -5.472 1.00 0.05 H new ATOM 0 HG21 VAL A 81 13.394 -20.176 -3.185 1.00 34.22 H new ATOM 0 HG22 VAL A 81 13.825 -19.663 -4.834 1.00 34.22 H new ATOM 0 HG23 VAL A 81 14.259 -18.642 -3.442 1.00 34.22 H new ATOM 1212 N LEU A 82 14.016 -17.963 -6.528 1.00 55.42 N ATOM 1213 CA LEU A 82 14.528 -18.414 -7.818 1.00 15.14 C ATOM 1214 C LEU A 82 14.789 -19.916 -7.804 1.00 24.52 C ATOM 1215 O LEU A 82 15.088 -20.497 -6.759 1.00 42.43 O ATOM 1216 CB LEU A 82 15.814 -17.664 -8.169 1.00 14.24 C ATOM 1217 CG LEU A 82 15.717 -16.138 -8.185 1.00 44.23 C ATOM 1218 CD1 LEU A 82 17.093 -15.518 -8.374 1.00 24.23 C ATOM 1219 CD2 LEU A 82 14.768 -15.675 -9.281 1.00 34.34 C ATOM 0 H LEU A 82 14.738 -17.745 -5.841 1.00 55.42 H new ATOM 0 HA LEU A 82 13.773 -18.202 -8.575 1.00 15.14 H new ATOM 0 HB2 LEU A 82 16.585 -17.952 -7.455 1.00 14.24 H new ATOM 0 HB3 LEU A 82 16.149 -17.997 -9.151 1.00 14.24 H new ATOM 0 HG LEU A 82 15.320 -15.809 -7.225 1.00 44.23 H new ATOM 0 HD11 LEU A 82 17.004 -14.432 -8.383 1.00 24.23 H new ATOM 0 HD12 LEU A 82 17.745 -15.822 -7.555 1.00 24.23 H new ATOM 0 HD13 LEU A 82 17.517 -15.855 -9.320 1.00 24.23 H new ATOM 0 HD21 LEU A 82 14.711 -14.586 -9.277 1.00 34.34 H new ATOM 0 HD22 LEU A 82 15.136 -16.016 -10.249 1.00 34.34 H new ATOM 0 HD23 LEU A 82 13.776 -16.090 -9.103 1.00 34.34 H new ATOM 1231 N THR A 83 14.677 -20.542 -8.971 1.00 63.43 N ATOM 1232 CA THR A 83 14.903 -21.977 -9.094 1.00 73.02 C ATOM 1233 C THR A 83 15.807 -22.292 -10.281 1.00 13.15 C ATOM 1234 O THR A 83 15.756 -21.618 -11.310 1.00 75.22 O ATOM 1235 CB THR A 83 13.576 -22.742 -9.257 1.00 71.31 C ATOM 1236 OG1 THR A 83 13.825 -24.152 -9.294 1.00 53.11 O ATOM 1237 CG2 THR A 83 12.858 -22.315 -10.528 1.00 75.53 C ATOM 0 H THR A 83 14.431 -20.078 -9.845 1.00 63.43 H new ATOM 0 HA THR A 83 15.390 -22.300 -8.174 1.00 73.02 H new ATOM 0 HB THR A 83 12.940 -22.508 -8.403 1.00 71.31 H new ATOM 0 HG1 THR A 83 13.526 -24.559 -8.454 1.00 53.11 H new ATOM 0 HG21 THR A 83 11.924 -22.869 -10.622 1.00 75.53 H new ATOM 0 HG22 THR A 83 12.644 -21.247 -10.484 1.00 75.53 H new ATOM 0 HG23 THR A 83 13.491 -22.523 -11.391 1.00 75.53 H new ATOM 1245 N THR A 84 16.635 -23.321 -10.131 1.00 1.01 N ATOM 1246 CA THR A 84 17.551 -23.725 -11.190 1.00 21.01 C ATOM 1247 C THR A 84 16.947 -24.832 -12.047 1.00 2.24 C ATOM 1248 O THR A 84 17.167 -24.882 -13.256 1.00 52.23 O ATOM 1249 CB THR A 84 18.895 -24.212 -10.615 1.00 52.30 C ATOM 1250 OG1 THR A 84 19.785 -24.562 -11.680 1.00 62.43 O ATOM 1251 CG2 THR A 84 18.690 -25.412 -9.703 1.00 2.44 C ATOM 0 H THR A 84 16.690 -23.890 -9.286 1.00 1.01 H new ATOM 0 HA THR A 84 17.726 -22.845 -11.809 1.00 21.01 H new ATOM 0 HB THR A 84 19.330 -23.402 -10.030 1.00 52.30 H new ATOM 0 HG1 THR A 84 20.637 -24.869 -11.306 1.00 62.43 H new ATOM 0 HG21 THR A 84 19.653 -25.738 -9.309 1.00 2.44 H new ATOM 0 HG22 THR A 84 18.035 -25.134 -8.877 1.00 2.44 H new ATOM 0 HG23 THR A 84 18.235 -26.225 -10.268 1.00 2.44 H new ATOM 1259 N GLU A 85 16.185 -25.717 -11.411 1.00 43.23 N ATOM 1260 CA GLU A 85 15.550 -26.823 -12.117 1.00 71.23 C ATOM 1261 C GLU A 85 14.287 -26.356 -12.836 1.00 65.43 C ATOM 1262 O GLU A 85 14.253 -26.275 -14.063 1.00 71.24 O ATOM 1263 CB GLU A 85 15.207 -27.950 -11.141 1.00 72.41 C ATOM 1264 CG GLU A 85 16.411 -28.772 -10.713 1.00 30.22 C ATOM 1265 CD GLU A 85 16.097 -29.713 -9.566 1.00 30.11 C ATOM 1266 OE1 GLU A 85 17.002 -30.469 -9.155 1.00 22.11 O ATOM 1267 OE2 GLU A 85 14.947 -29.694 -9.080 1.00 0.02 O ATOM 0 H GLU A 85 15.993 -25.689 -10.410 1.00 43.23 H new ATOM 0 HA GLU A 85 16.253 -27.198 -12.861 1.00 71.23 H new ATOM 0 HB2 GLU A 85 14.737 -27.522 -10.256 1.00 72.41 H new ATOM 0 HB3 GLU A 85 14.473 -28.610 -11.604 1.00 72.41 H new ATOM 0 HG2 GLU A 85 16.773 -29.350 -11.564 1.00 30.22 H new ATOM 0 HG3 GLU A 85 17.218 -28.101 -10.417 1.00 30.22 H new ATOM 1274 N GLY A 86 13.251 -26.051 -12.062 1.00 33.12 N ATOM 1275 CA GLY A 86 12.000 -25.597 -12.641 1.00 61.13 C ATOM 1276 C GLY A 86 10.984 -26.714 -12.777 1.00 25.34 C ATOM 1277 O GLY A 86 10.262 -26.789 -13.770 1.00 40.44 O ATOM 0 H GLY A 86 13.255 -26.110 -11.044 1.00 33.12 H new ATOM 0 HA2 GLY A 86 11.583 -24.804 -12.020 1.00 61.13 H new ATOM 0 HA3 GLY A 86 12.193 -25.165 -13.623 1.00 61.13 H new ATOM 1281 N SER A 87 10.930 -27.587 -11.775 1.00 52.33 N ATOM 1282 CA SER A 87 9.999 -28.709 -11.789 1.00 70.13 C ATOM 1283 C SER A 87 8.947 -28.556 -10.695 1.00 20.21 C ATOM 1284 O SER A 87 9.085 -27.725 -9.798 1.00 3.34 O ATOM 1285 CB SER A 87 10.754 -30.027 -11.606 1.00 73.34 C ATOM 1286 OG SER A 87 9.893 -31.138 -11.791 1.00 13.34 O ATOM 0 H SER A 87 11.520 -27.538 -10.944 1.00 52.33 H new ATOM 0 HA SER A 87 9.494 -28.719 -12.755 1.00 70.13 H new ATOM 0 HB2 SER A 87 11.578 -30.079 -12.317 1.00 73.34 H new ATOM 0 HB3 SER A 87 11.191 -30.064 -10.608 1.00 73.34 H new ATOM 0 HG SER A 87 10.400 -31.968 -11.670 1.00 13.34 H new ATOM 1292 N ASP A 88 7.896 -29.364 -10.777 1.00 31.44 N ATOM 1293 CA ASP A 88 6.820 -29.321 -9.793 1.00 52.14 C ATOM 1294 C ASP A 88 7.344 -29.651 -8.399 1.00 51.52 C ATOM 1295 O ASP A 88 6.997 -28.988 -7.422 1.00 51.42 O ATOM 1296 CB ASP A 88 5.709 -30.299 -10.178 1.00 54.24 C ATOM 1297 CG ASP A 88 4.710 -29.690 -11.143 1.00 10.21 C ATOM 1298 OD1 ASP A 88 3.775 -29.006 -10.676 1.00 52.00 O ATOM 1299 OD2 ASP A 88 4.864 -29.896 -12.365 1.00 20.34 O ATOM 0 H ASP A 88 7.766 -30.057 -11.514 1.00 31.44 H new ATOM 0 HA ASP A 88 6.415 -28.309 -9.779 1.00 52.14 H new ATOM 0 HB2 ASP A 88 6.151 -31.187 -10.630 1.00 54.24 H new ATOM 0 HB3 ASP A 88 5.188 -30.625 -9.278 1.00 54.24 H new ATOM 1304 N ALA A 89 8.181 -30.680 -8.315 1.00 53.41 N ATOM 1305 CA ALA A 89 8.753 -31.097 -7.041 1.00 42.42 C ATOM 1306 C ALA A 89 9.403 -29.921 -6.320 1.00 44.44 C ATOM 1307 O ALA A 89 9.271 -29.775 -5.105 1.00 44.40 O ATOM 1308 CB ALA A 89 9.766 -32.211 -7.257 1.00 62.13 C ATOM 0 H ALA A 89 8.478 -31.240 -9.114 1.00 53.41 H new ATOM 0 HA ALA A 89 7.945 -31.472 -6.413 1.00 42.42 H new ATOM 0 HB1 ALA A 89 10.185 -32.513 -6.297 1.00 62.13 H new ATOM 0 HB2 ALA A 89 9.274 -33.065 -7.723 1.00 62.13 H new ATOM 0 HB3 ALA A 89 10.566 -31.855 -7.906 1.00 62.13 H new ATOM 1314 N PHE A 90 10.107 -29.084 -7.077 1.00 35.40 N ATOM 1315 CA PHE A 90 10.779 -27.922 -6.510 1.00 2.44 C ATOM 1316 C PHE A 90 9.773 -26.969 -5.872 1.00 14.53 C ATOM 1317 O PHE A 90 10.011 -26.426 -4.792 1.00 60.24 O ATOM 1318 CB PHE A 90 11.577 -27.190 -7.591 1.00 3.35 C ATOM 1319 CG PHE A 90 12.723 -26.384 -7.048 1.00 31.13 C ATOM 1320 CD1 PHE A 90 12.502 -25.146 -6.466 1.00 63.01 C ATOM 1321 CD2 PHE A 90 14.020 -26.865 -7.120 1.00 5.33 C ATOM 1322 CE1 PHE A 90 13.554 -24.402 -5.965 1.00 62.33 C ATOM 1323 CE2 PHE A 90 15.076 -26.126 -6.620 1.00 42.32 C ATOM 1324 CZ PHE A 90 14.843 -24.892 -6.044 1.00 30.55 C ATOM 0 H PHE A 90 10.226 -29.190 -8.084 1.00 35.40 H new ATOM 0 HA PHE A 90 11.463 -28.271 -5.736 1.00 2.44 H new ATOM 0 HB2 PHE A 90 11.962 -27.919 -8.304 1.00 3.35 H new ATOM 0 HB3 PHE A 90 10.907 -26.529 -8.141 1.00 3.35 H new ATOM 0 HD1 PHE A 90 11.496 -24.758 -6.403 1.00 63.01 H new ATOM 0 HD2 PHE A 90 14.208 -27.828 -7.572 1.00 5.33 H new ATOM 0 HE1 PHE A 90 13.368 -23.439 -5.513 1.00 62.33 H new ATOM 0 HE2 PHE A 90 16.082 -26.513 -6.680 1.00 42.32 H new ATOM 0 HZ PHE A 90 15.667 -24.312 -5.656 1.00 30.55 H new ATOM 1334 N LYS A 91 8.646 -26.769 -6.547 1.00 41.43 N ATOM 1335 CA LYS A 91 7.601 -25.882 -6.049 1.00 23.15 C ATOM 1336 C LYS A 91 7.222 -26.240 -4.615 1.00 64.31 C ATOM 1337 O LYS A 91 6.936 -25.363 -3.801 1.00 41.22 O ATOM 1338 CB LYS A 91 6.366 -25.959 -6.948 1.00 71.44 C ATOM 1339 CG LYS A 91 6.642 -25.583 -8.394 1.00 14.02 C ATOM 1340 CD LYS A 91 5.402 -25.744 -9.258 1.00 42.21 C ATOM 1341 CE LYS A 91 4.273 -24.841 -8.786 1.00 35.52 C ATOM 1342 NZ LYS A 91 3.400 -25.521 -7.788 1.00 42.12 N ATOM 0 H LYS A 91 8.433 -27.210 -7.442 1.00 41.43 H new ATOM 0 HA LYS A 91 7.988 -24.863 -6.061 1.00 23.15 H new ATOM 0 HB2 LYS A 91 5.965 -26.972 -6.915 1.00 71.44 H new ATOM 0 HB3 LYS A 91 5.596 -25.298 -6.550 1.00 71.44 H new ATOM 0 HG2 LYS A 91 6.989 -24.551 -8.443 1.00 14.02 H new ATOM 0 HG3 LYS A 91 7.444 -26.208 -8.787 1.00 14.02 H new ATOM 0 HD2 LYS A 91 5.647 -25.511 -10.294 1.00 42.21 H new ATOM 0 HD3 LYS A 91 5.073 -26.783 -9.234 1.00 42.21 H new ATOM 0 HE2 LYS A 91 4.692 -23.936 -8.346 1.00 35.52 H new ATOM 0 HE3 LYS A 91 3.673 -24.531 -9.642 1.00 35.52 H new ATOM 0 HZ1 LYS A 91 2.442 -25.625 -8.179 1.00 42.12 H new ATOM 0 HZ2 LYS A 91 3.789 -26.460 -7.569 1.00 42.12 H new ATOM 0 HZ3 LYS A 91 3.359 -24.952 -6.918 1.00 42.12 H new ATOM 1356 N ALA A 92 7.224 -27.534 -4.313 1.00 64.50 N ATOM 1357 CA ALA A 92 6.884 -28.008 -2.977 1.00 4.41 C ATOM 1358 C ALA A 92 7.860 -27.466 -1.938 1.00 2.12 C ATOM 1359 O ALA A 92 7.473 -27.155 -0.812 1.00 22.43 O ATOM 1360 CB ALA A 92 6.866 -29.529 -2.944 1.00 44.34 C ATOM 0 H ALA A 92 7.457 -28.273 -4.976 1.00 64.50 H new ATOM 0 HA ALA A 92 5.888 -27.639 -2.730 1.00 4.41 H new ATOM 0 HB1 ALA A 92 6.611 -29.868 -1.940 1.00 44.34 H new ATOM 0 HB2 ALA A 92 6.124 -29.900 -3.652 1.00 44.34 H new ATOM 0 HB3 ALA A 92 7.850 -29.911 -3.216 1.00 44.34 H new ATOM 1366 N ALA A 93 9.127 -27.356 -2.324 1.00 2.35 N ATOM 1367 CA ALA A 93 10.158 -26.850 -1.425 1.00 71.23 C ATOM 1368 C ALA A 93 9.901 -25.392 -1.060 1.00 71.11 C ATOM 1369 O ALA A 93 9.744 -25.055 0.113 1.00 43.31 O ATOM 1370 CB ALA A 93 11.532 -27.003 -2.060 1.00 42.10 C ATOM 0 H ALA A 93 9.464 -27.610 -3.252 1.00 2.35 H new ATOM 0 HA ALA A 93 10.126 -27.438 -0.507 1.00 71.23 H new ATOM 0 HB1 ALA A 93 12.292 -26.621 -1.378 1.00 42.10 H new ATOM 0 HB2 ALA A 93 11.723 -28.057 -2.264 1.00 42.10 H new ATOM 0 HB3 ALA A 93 11.566 -26.441 -2.993 1.00 42.10 H new ATOM 1376 N ALA A 94 9.860 -24.532 -2.072 1.00 55.12 N ATOM 1377 CA ALA A 94 9.620 -23.110 -1.857 1.00 62.21 C ATOM 1378 C ALA A 94 8.365 -22.885 -1.020 1.00 65.13 C ATOM 1379 O ALA A 94 8.375 -22.106 -0.067 1.00 41.23 O ATOM 1380 CB ALA A 94 9.504 -22.387 -3.191 1.00 3.23 C ATOM 0 H ALA A 94 9.990 -24.795 -3.049 1.00 55.12 H new ATOM 0 HA ALA A 94 10.469 -22.702 -1.308 1.00 62.21 H new ATOM 0 HB1 ALA A 94 9.325 -21.326 -3.016 1.00 3.23 H new ATOM 0 HB2 ALA A 94 10.429 -22.511 -3.754 1.00 3.23 H new ATOM 0 HB3 ALA A 94 8.674 -22.806 -3.761 1.00 3.23 H new ATOM 1386 N ARG A 95 7.287 -23.572 -1.383 1.00 11.30 N ATOM 1387 CA ARG A 95 6.024 -23.445 -0.666 1.00 53.33 C ATOM 1388 C ARG A 95 6.143 -24.003 0.749 1.00 41.21 C ATOM 1389 O ARG A 95 5.541 -23.479 1.686 1.00 3.24 O ATOM 1390 CB ARG A 95 4.909 -24.172 -1.421 1.00 24.43 C ATOM 1391 CG ARG A 95 3.514 -23.834 -0.921 1.00 63.14 C ATOM 1392 CD ARG A 95 2.993 -22.552 -1.551 1.00 72.14 C ATOM 1393 NE ARG A 95 1.536 -22.468 -1.495 1.00 11.30 N ATOM 1394 CZ ARG A 95 0.823 -21.595 -2.197 1.00 54.52 C ATOM 1395 NH1 ARG A 95 1.429 -20.736 -3.005 1.00 53.24 N ATOM 1396 NH2 ARG A 95 -0.500 -21.579 -2.092 1.00 71.42 N ATOM 0 H ARG A 95 7.263 -24.222 -2.169 1.00 11.30 H new ATOM 0 HA ARG A 95 5.778 -22.385 -0.600 1.00 53.33 H new ATOM 0 HB2 ARG A 95 4.976 -23.923 -2.480 1.00 24.43 H new ATOM 0 HB3 ARG A 95 5.066 -25.247 -1.336 1.00 24.43 H new ATOM 0 HG2 ARG A 95 2.835 -24.655 -1.150 1.00 63.14 H new ATOM 0 HG3 ARG A 95 3.531 -23.727 0.164 1.00 63.14 H new ATOM 0 HD2 ARG A 95 3.426 -21.694 -1.037 1.00 72.14 H new ATOM 0 HD3 ARG A 95 3.320 -22.500 -2.590 1.00 72.14 H new ATOM 0 HE ARG A 95 1.039 -23.115 -0.883 1.00 11.30 H new ATOM 0 HH11 ARG A 95 2.446 -20.745 -3.089 1.00 53.24 H new ATOM 0 HH12 ARG A 95 0.879 -20.067 -3.543 1.00 53.24 H new ATOM 0 HH21 ARG A 95 -0.970 -22.238 -1.471 1.00 71.42 H new ATOM 0 HH22 ARG A 95 -1.046 -20.908 -2.632 1.00 71.42 H new ATOM 1410 N ASP A 96 6.923 -25.069 0.895 1.00 14.50 N ATOM 1411 CA ASP A 96 7.121 -25.698 2.195 1.00 5.25 C ATOM 1412 C ASP A 96 7.819 -24.744 3.160 1.00 44.33 C ATOM 1413 O ASP A 96 7.464 -24.663 4.335 1.00 74.10 O ATOM 1414 CB ASP A 96 7.941 -26.981 2.045 1.00 12.52 C ATOM 1415 CG ASP A 96 8.440 -27.508 3.376 1.00 44.40 C ATOM 1416 OD1 ASP A 96 9.620 -27.265 3.704 1.00 24.24 O ATOM 1417 OD2 ASP A 96 7.652 -28.163 4.089 1.00 74.43 O ATOM 0 H ASP A 96 7.428 -25.515 0.129 1.00 14.50 H new ATOM 0 HA ASP A 96 6.142 -25.947 2.603 1.00 5.25 H new ATOM 0 HB2 ASP A 96 7.331 -27.744 1.561 1.00 12.52 H new ATOM 0 HB3 ASP A 96 8.792 -26.791 1.391 1.00 12.52 H new ATOM 1422 N ALA A 97 8.816 -24.024 2.654 1.00 14.43 N ATOM 1423 CA ALA A 97 9.563 -23.075 3.470 1.00 12.33 C ATOM 1424 C ALA A 97 8.675 -21.919 3.920 1.00 30.44 C ATOM 1425 O ALA A 97 8.800 -21.427 5.041 1.00 64.31 O ATOM 1426 CB ALA A 97 10.766 -22.550 2.701 1.00 52.41 C ATOM 0 H ALA A 97 9.124 -24.080 1.683 1.00 14.43 H new ATOM 0 HA ALA A 97 9.914 -23.597 4.360 1.00 12.33 H new ATOM 0 HB1 ALA A 97 11.315 -21.842 3.323 1.00 52.41 H new ATOM 0 HB2 ALA A 97 11.419 -23.381 2.435 1.00 52.41 H new ATOM 0 HB3 ALA A 97 10.428 -22.050 1.794 1.00 52.41 H new ATOM 1432 N GLY A 98 7.777 -21.490 3.038 1.00 24.22 N ATOM 1433 CA GLY A 98 6.882 -20.395 3.364 1.00 64.14 C ATOM 1434 C GLY A 98 6.932 -19.281 2.337 1.00 61.12 C ATOM 1435 O GLY A 98 6.821 -18.105 2.681 1.00 13.03 O ATOM 0 H GLY A 98 7.653 -21.881 2.104 1.00 24.22 H new ATOM 0 HA2 GLY A 98 5.862 -20.773 3.437 1.00 64.14 H new ATOM 0 HA3 GLY A 98 7.144 -19.994 4.343 1.00 64.14 H new ATOM 1439 N ALA A 99 7.102 -19.652 1.072 1.00 55.42 N ATOM 1440 CA ALA A 99 7.166 -18.675 -0.008 1.00 54.13 C ATOM 1441 C ALA A 99 5.830 -18.575 -0.738 1.00 64.11 C ATOM 1442 O ALA A 99 4.985 -19.465 -0.633 1.00 41.43 O ATOM 1443 CB ALA A 99 8.276 -19.038 -0.983 1.00 2.21 C ATOM 0 H ALA A 99 7.198 -20.622 0.770 1.00 55.42 H new ATOM 0 HA ALA A 99 7.385 -17.701 0.429 1.00 54.13 H new ATOM 0 HB1 ALA A 99 8.312 -18.300 -1.784 1.00 2.21 H new ATOM 0 HB2 ALA A 99 9.231 -19.051 -0.458 1.00 2.21 H new ATOM 0 HB3 ALA A 99 8.081 -20.023 -1.406 1.00 2.21 H new ATOM 1449 N THR A 100 5.645 -17.486 -1.478 1.00 64.21 N ATOM 1450 CA THR A 100 4.412 -17.269 -2.224 1.00 22.31 C ATOM 1451 C THR A 100 4.573 -17.679 -3.683 1.00 41.24 C ATOM 1452 O THR A 100 3.822 -18.511 -4.191 1.00 44.42 O ATOM 1453 CB THR A 100 3.970 -15.795 -2.162 1.00 21.01 C ATOM 1454 OG1 THR A 100 3.808 -15.389 -0.798 1.00 62.12 O ATOM 1455 CG2 THR A 100 2.665 -15.589 -2.916 1.00 21.31 C ATOM 0 H THR A 100 6.334 -16.740 -1.576 1.00 64.21 H new ATOM 0 HA THR A 100 3.647 -17.890 -1.758 1.00 22.31 H new ATOM 0 HB THR A 100 4.743 -15.187 -2.632 1.00 21.01 H new ATOM 0 HG1 THR A 100 3.379 -14.509 -0.768 1.00 62.12 H new ATOM 0 HG21 THR A 100 2.373 -14.540 -2.858 1.00 21.31 H new ATOM 0 HG22 THR A 100 2.800 -15.871 -3.960 1.00 21.31 H new ATOM 0 HG23 THR A 100 1.886 -16.208 -2.471 1.00 21.31 H new ATOM 1463 N GLY A 101 5.558 -17.089 -4.354 1.00 3.12 N ATOM 1464 CA GLY A 101 5.800 -17.406 -5.749 1.00 71.21 C ATOM 1465 C GLY A 101 7.260 -17.697 -6.033 1.00 42.02 C ATOM 1466 O GLY A 101 8.129 -17.409 -5.210 1.00 13.04 O ATOM 0 H GLY A 101 6.193 -16.397 -3.956 1.00 3.12 H new ATOM 0 HA2 GLY A 101 5.199 -18.270 -6.031 1.00 71.21 H new ATOM 0 HA3 GLY A 101 5.471 -16.573 -6.370 1.00 71.21 H new ATOM 1470 N TRP A 102 7.531 -18.270 -7.200 1.00 23.20 N ATOM 1471 CA TRP A 102 8.897 -18.602 -7.589 1.00 43.24 C ATOM 1472 C TRP A 102 9.132 -18.297 -9.065 1.00 11.03 C ATOM 1473 O TRP A 102 8.184 -18.105 -9.826 1.00 53.44 O ATOM 1474 CB TRP A 102 9.185 -20.077 -7.309 1.00 25.54 C ATOM 1475 CG TRP A 102 8.632 -21.000 -8.352 1.00 40.24 C ATOM 1476 CD1 TRP A 102 7.476 -20.836 -9.062 1.00 5.35 C ATOM 1477 CD2 TRP A 102 9.210 -22.230 -8.802 1.00 40.04 C ATOM 1478 NE1 TRP A 102 7.301 -21.890 -9.925 1.00 43.13 N ATOM 1479 CE2 TRP A 102 8.351 -22.758 -9.786 1.00 65.33 C ATOM 1480 CE3 TRP A 102 10.370 -22.935 -8.472 1.00 20.54 C ATOM 1481 CZ2 TRP A 102 8.618 -23.959 -10.439 1.00 52.22 C ATOM 1482 CZ3 TRP A 102 10.633 -24.127 -9.120 1.00 53.04 C ATOM 1483 CH2 TRP A 102 9.760 -24.629 -10.096 1.00 5.35 C ATOM 0 H TRP A 102 6.824 -18.514 -7.893 1.00 23.20 H new ATOM 0 HA TRP A 102 9.576 -17.988 -6.997 1.00 43.24 H new ATOM 0 HB2 TRP A 102 10.263 -20.222 -7.241 1.00 25.54 H new ATOM 0 HB3 TRP A 102 8.765 -20.344 -6.339 1.00 25.54 H new ATOM 0 HD1 TRP A 102 6.799 -20.000 -8.960 1.00 5.35 H new ATOM 0 HE1 TRP A 102 6.516 -22.007 -10.566 1.00 43.13 H new ATOM 0 HE3 TRP A 102 11.050 -22.555 -7.723 1.00 20.54 H new ATOM 0 HZ2 TRP A 102 7.946 -24.348 -11.190 1.00 52.22 H new ATOM 0 HZ3 TRP A 102 11.526 -24.681 -8.871 1.00 53.04 H new ATOM 0 HH2 TRP A 102 9.994 -25.562 -10.586 1.00 5.35 H new ATOM 1494 N ILE A 103 10.399 -18.255 -9.461 1.00 43.44 N ATOM 1495 CA ILE A 103 10.757 -17.974 -10.846 1.00 72.44 C ATOM 1496 C ILE A 103 12.000 -18.754 -11.262 1.00 11.12 C ATOM 1497 O ILE A 103 12.677 -19.352 -10.426 1.00 73.13 O ATOM 1498 CB ILE A 103 11.008 -16.472 -11.070 1.00 5.51 C ATOM 1499 CG1 ILE A 103 11.557 -15.829 -9.794 1.00 55.31 C ATOM 1500 CG2 ILE A 103 9.727 -15.780 -11.510 1.00 10.42 C ATOM 1501 CD1 ILE A 103 10.481 -15.276 -8.886 1.00 13.50 C ATOM 0 H ILE A 103 11.195 -18.412 -8.843 1.00 43.44 H new ATOM 0 HA ILE A 103 9.912 -18.287 -11.459 1.00 72.44 H new ATOM 0 HB ILE A 103 11.749 -16.356 -11.861 1.00 5.51 H new ATOM 0 HG12 ILE A 103 12.139 -16.569 -9.245 1.00 55.31 H new ATOM 0 HG13 ILE A 103 12.240 -15.024 -10.067 1.00 55.31 H new ATOM 0 HG21 ILE A 103 9.921 -14.719 -11.664 1.00 10.42 H new ATOM 0 HG22 ILE A 103 9.375 -16.224 -12.441 1.00 10.42 H new ATOM 0 HG23 ILE A 103 8.965 -15.901 -10.740 1.00 10.42 H new ATOM 0 HD11 ILE A 103 10.942 -14.836 -8.002 1.00 13.50 H new ATOM 0 HD12 ILE A 103 9.913 -14.512 -9.418 1.00 13.50 H new ATOM 0 HD13 ILE A 103 9.811 -16.081 -8.583 1.00 13.50 H new ATOM 1513 N GLU A 104 12.295 -18.740 -12.558 1.00 74.31 N ATOM 1514 CA GLU A 104 13.458 -19.446 -13.084 1.00 14.43 C ATOM 1515 C GLU A 104 14.545 -18.462 -13.507 1.00 72.01 C ATOM 1516 O GLU A 104 14.471 -17.861 -14.579 1.00 2.40 O ATOM 1517 CB GLU A 104 13.056 -20.322 -14.272 1.00 43.22 C ATOM 1518 CG GLU A 104 11.809 -21.152 -14.022 1.00 72.42 C ATOM 1519 CD GLU A 104 10.535 -20.421 -14.399 1.00 44.35 C ATOM 1520 OE1 GLU A 104 9.594 -20.405 -13.579 1.00 60.33 O ATOM 1521 OE2 GLU A 104 10.481 -19.863 -15.516 1.00 31.13 O ATOM 0 H GLU A 104 11.745 -18.248 -13.263 1.00 74.31 H new ATOM 0 HA GLU A 104 13.855 -20.081 -12.292 1.00 14.43 H new ATOM 0 HB2 GLU A 104 12.891 -19.686 -15.142 1.00 43.22 H new ATOM 0 HB3 GLU A 104 13.883 -20.989 -14.517 1.00 43.22 H new ATOM 0 HG2 GLU A 104 11.874 -22.079 -14.592 1.00 72.42 H new ATOM 0 HG3 GLU A 104 11.766 -21.428 -12.968 1.00 72.42 H new ATOM 1528 N LYS A 105 15.554 -18.303 -12.657 1.00 53.33 N ATOM 1529 CA LYS A 105 16.658 -17.394 -12.941 1.00 54.53 C ATOM 1530 C LYS A 105 17.489 -17.898 -14.117 1.00 1.54 C ATOM 1531 O LYS A 105 17.515 -19.090 -14.424 1.00 2.54 O ATOM 1532 CB LYS A 105 17.546 -17.235 -11.705 1.00 71.22 C ATOM 1533 CG LYS A 105 18.580 -18.337 -11.554 1.00 32.51 C ATOM 1534 CD LYS A 105 17.924 -19.698 -11.390 1.00 61.45 C ATOM 1535 CE LYS A 105 18.849 -20.682 -10.690 1.00 72.21 C ATOM 1536 NZ LYS A 105 19.766 -21.359 -11.648 1.00 21.51 N ATOM 0 H LYS A 105 15.630 -18.792 -11.765 1.00 53.33 H new ATOM 0 HA LYS A 105 16.238 -16.424 -13.206 1.00 54.53 H new ATOM 0 HB2 LYS A 105 18.057 -16.273 -11.756 1.00 71.22 H new ATOM 0 HB3 LYS A 105 16.916 -17.215 -10.816 1.00 71.22 H new ATOM 0 HG2 LYS A 105 19.231 -18.349 -12.428 1.00 32.51 H new ATOM 0 HG3 LYS A 105 19.211 -18.129 -10.690 1.00 32.51 H new ATOM 0 HD2 LYS A 105 17.003 -19.592 -10.817 1.00 61.45 H new ATOM 0 HD3 LYS A 105 17.647 -20.090 -12.369 1.00 61.45 H new ATOM 0 HE2 LYS A 105 19.435 -20.156 -9.936 1.00 72.21 H new ATOM 0 HE3 LYS A 105 18.254 -21.430 -10.166 1.00 72.21 H new ATOM 0 HZ1 LYS A 105 20.345 -22.058 -11.140 1.00 21.51 H new ATOM 0 HZ2 LYS A 105 19.208 -21.840 -12.382 1.00 21.51 H new ATOM 0 HZ3 LYS A 105 20.387 -20.653 -12.092 1.00 21.51 H new ATOM 1550 N PRO A 106 18.187 -16.971 -14.790 1.00 15.51 N ATOM 1551 CA PRO A 106 18.163 -15.549 -14.434 1.00 12.31 C ATOM 1552 C PRO A 106 16.817 -14.898 -14.737 1.00 5.33 C ATOM 1553 O PRO A 106 15.980 -15.476 -15.430 1.00 41.53 O ATOM 1554 CB PRO A 106 19.259 -14.944 -15.314 1.00 65.33 C ATOM 1555 CG PRO A 106 19.360 -15.866 -16.480 1.00 51.25 C ATOM 1556 CD PRO A 106 19.052 -17.239 -15.951 1.00 15.00 C ATOM 0 HA PRO A 106 18.320 -15.394 -13.367 1.00 12.31 H new ATOM 0 HB2 PRO A 106 19.000 -13.933 -15.630 1.00 65.33 H new ATOM 0 HB3 PRO A 106 20.206 -14.878 -14.778 1.00 65.33 H new ATOM 0 HG2 PRO A 106 18.657 -15.583 -17.263 1.00 51.25 H new ATOM 0 HG3 PRO A 106 20.357 -15.832 -16.919 1.00 51.25 H new ATOM 0 HD2 PRO A 106 18.546 -17.853 -16.696 1.00 15.00 H new ATOM 0 HD3 PRO A 106 19.958 -17.771 -15.662 1.00 15.00 H new ATOM 1564 N ILE A 107 16.617 -13.693 -14.213 1.00 22.10 N ATOM 1565 CA ILE A 107 15.374 -12.964 -14.429 1.00 52.23 C ATOM 1566 C ILE A 107 15.619 -11.681 -15.216 1.00 12.31 C ATOM 1567 O ILE A 107 16.684 -11.071 -15.113 1.00 74.34 O ATOM 1568 CB ILE A 107 14.688 -12.612 -13.096 1.00 22.12 C ATOM 1569 CG1 ILE A 107 14.615 -13.846 -12.194 1.00 11.01 C ATOM 1570 CG2 ILE A 107 13.297 -12.050 -13.348 1.00 1.04 C ATOM 1571 CD1 ILE A 107 13.753 -14.955 -12.756 1.00 43.01 C ATOM 0 H ILE A 107 17.300 -13.202 -13.636 1.00 22.10 H new ATOM 0 HA ILE A 107 14.719 -13.620 -15.002 1.00 52.23 H new ATOM 0 HB ILE A 107 15.280 -11.849 -12.590 1.00 22.12 H new ATOM 0 HG12 ILE A 107 15.623 -14.227 -12.031 1.00 11.01 H new ATOM 0 HG13 ILE A 107 14.225 -13.551 -11.220 1.00 11.01 H new ATOM 0 HG21 ILE A 107 12.825 -11.806 -12.396 1.00 1.04 H new ATOM 0 HG22 ILE A 107 13.373 -11.149 -13.957 1.00 1.04 H new ATOM 0 HG23 ILE A 107 12.694 -12.792 -13.872 1.00 1.04 H new ATOM 0 HD11 ILE A 107 13.747 -15.797 -12.064 1.00 43.01 H new ATOM 0 HD12 ILE A 107 12.735 -14.591 -12.893 1.00 43.01 H new ATOM 0 HD13 ILE A 107 14.155 -15.277 -13.717 1.00 43.01 H new ATOM 1583 N ASP A 108 14.626 -11.275 -16.000 1.00 32.14 N ATOM 1584 CA ASP A 108 14.732 -10.062 -16.802 1.00 73.11 C ATOM 1585 C ASP A 108 14.248 -8.847 -16.017 1.00 3.03 C ATOM 1586 O ASP A 108 13.486 -8.961 -15.056 1.00 45.13 O ATOM 1587 CB ASP A 108 13.922 -10.206 -18.092 1.00 25.10 C ATOM 1588 CG ASP A 108 14.804 -10.292 -19.322 1.00 43.12 C ATOM 1589 OD1 ASP A 108 15.920 -10.843 -19.216 1.00 1.14 O ATOM 1590 OD2 ASP A 108 14.378 -9.809 -20.392 1.00 3.22 O ATOM 0 H ASP A 108 13.739 -11.768 -16.097 1.00 32.14 H new ATOM 0 HA ASP A 108 15.782 -9.914 -17.055 1.00 73.11 H new ATOM 0 HB2 ASP A 108 13.301 -11.100 -18.030 1.00 25.10 H new ATOM 0 HB3 ASP A 108 13.247 -9.356 -18.191 1.00 25.10 H new ATOM 1595 N PRO A 109 14.701 -7.655 -16.432 1.00 44.12 N ATOM 1596 CA PRO A 109 14.329 -6.396 -15.781 1.00 55.51 C ATOM 1597 C PRO A 109 12.867 -6.032 -16.017 1.00 14.23 C ATOM 1598 O PRO A 109 12.203 -5.485 -15.137 1.00 22.14 O ATOM 1599 CB PRO A 109 15.249 -5.367 -16.444 1.00 32.52 C ATOM 1600 CG PRO A 109 15.578 -5.955 -17.773 1.00 1.13 C ATOM 1601 CD PRO A 109 15.612 -7.444 -17.570 1.00 62.50 C ATOM 0 HA PRO A 109 14.438 -6.450 -14.698 1.00 55.51 H new ATOM 0 HB2 PRO A 109 14.753 -4.402 -16.550 1.00 32.52 H new ATOM 0 HB3 PRO A 109 16.148 -5.200 -15.851 1.00 32.52 H new ATOM 0 HG2 PRO A 109 14.831 -5.680 -18.517 1.00 1.13 H new ATOM 0 HG3 PRO A 109 16.539 -5.588 -18.135 1.00 1.13 H new ATOM 0 HD2 PRO A 109 15.275 -7.978 -18.458 1.00 62.50 H new ATOM 0 HD3 PRO A 109 16.619 -7.796 -17.349 1.00 62.50 H new ATOM 1609 N GLY A 110 12.370 -6.340 -17.211 1.00 53.40 N ATOM 1610 CA GLY A 110 10.989 -6.038 -17.540 1.00 50.23 C ATOM 1611 C GLY A 110 10.011 -6.956 -16.835 1.00 73.32 C ATOM 1612 O GLY A 110 8.949 -6.520 -16.389 1.00 65.10 O ATOM 0 H GLY A 110 12.899 -6.793 -17.956 1.00 53.40 H new ATOM 0 HA2 GLY A 110 10.772 -5.005 -17.270 1.00 50.23 H new ATOM 0 HA3 GLY A 110 10.849 -6.122 -18.618 1.00 50.23 H new ATOM 1616 N VAL A 111 10.367 -8.233 -16.735 1.00 72.13 N ATOM 1617 CA VAL A 111 9.512 -9.216 -16.080 1.00 63.11 C ATOM 1618 C VAL A 111 9.430 -8.960 -14.579 1.00 44.25 C ATOM 1619 O VAL A 111 8.345 -8.958 -13.997 1.00 41.10 O ATOM 1620 CB VAL A 111 10.022 -10.650 -16.318 1.00 31.02 C ATOM 1621 CG1 VAL A 111 9.136 -11.657 -15.601 1.00 21.43 C ATOM 1622 CG2 VAL A 111 10.088 -10.951 -17.807 1.00 62.34 C ATOM 0 H VAL A 111 11.242 -8.611 -17.099 1.00 72.13 H new ATOM 0 HA VAL A 111 8.519 -9.114 -16.518 1.00 63.11 H new ATOM 0 HB VAL A 111 11.029 -10.732 -15.909 1.00 31.02 H new ATOM 0 HG11 VAL A 111 9.511 -12.664 -15.780 1.00 21.43 H new ATOM 0 HG12 VAL A 111 9.145 -11.452 -14.531 1.00 21.43 H new ATOM 0 HG13 VAL A 111 8.116 -11.577 -15.978 1.00 21.43 H new ATOM 0 HG21 VAL A 111 10.450 -11.968 -17.957 1.00 62.34 H new ATOM 0 HG22 VAL A 111 9.094 -10.852 -18.243 1.00 62.34 H new ATOM 0 HG23 VAL A 111 10.767 -10.249 -18.290 1.00 62.34 H new ATOM 1632 N LEU A 112 10.584 -8.743 -13.958 1.00 65.32 N ATOM 1633 CA LEU A 112 10.644 -8.485 -12.524 1.00 4.33 C ATOM 1634 C LEU A 112 9.741 -7.317 -12.143 1.00 14.43 C ATOM 1635 O LEU A 112 8.879 -7.442 -11.272 1.00 25.51 O ATOM 1636 CB LEU A 112 12.084 -8.190 -12.098 1.00 70.43 C ATOM 1637 CG LEU A 112 12.304 -7.933 -10.607 1.00 51.02 C ATOM 1638 CD1 LEU A 112 12.265 -9.239 -9.829 1.00 15.35 C ATOM 1639 CD2 LEU A 112 13.625 -7.214 -10.379 1.00 44.44 C ATOM 0 H LEU A 112 11.491 -8.741 -14.425 1.00 65.32 H new ATOM 0 HA LEU A 112 10.293 -9.377 -12.005 1.00 4.33 H new ATOM 0 HB2 LEU A 112 12.710 -9.031 -12.397 1.00 70.43 H new ATOM 0 HB3 LEU A 112 12.434 -7.319 -12.652 1.00 70.43 H new ATOM 0 HG LEU A 112 11.498 -7.294 -10.245 1.00 51.02 H new ATOM 0 HD11 LEU A 112 12.423 -9.036 -8.770 1.00 15.35 H new ATOM 0 HD12 LEU A 112 11.294 -9.715 -9.966 1.00 15.35 H new ATOM 0 HD13 LEU A 112 13.049 -9.903 -10.193 1.00 15.35 H new ATOM 0 HD21 LEU A 112 13.765 -7.039 -9.312 1.00 44.44 H new ATOM 0 HD22 LEU A 112 14.443 -7.827 -10.757 1.00 44.44 H new ATOM 0 HD23 LEU A 112 13.615 -6.259 -10.905 1.00 44.44 H new ATOM 1651 N VAL A 113 9.941 -6.180 -12.802 1.00 61.14 N ATOM 1652 CA VAL A 113 9.142 -4.990 -12.536 1.00 23.05 C ATOM 1653 C VAL A 113 7.652 -5.297 -12.625 1.00 73.24 C ATOM 1654 O VAL A 113 6.847 -4.738 -11.881 1.00 23.12 O ATOM 1655 CB VAL A 113 9.481 -3.854 -13.519 1.00 64.20 C ATOM 1656 CG1 VAL A 113 8.613 -2.635 -13.248 1.00 33.54 C ATOM 1657 CG2 VAL A 113 10.958 -3.497 -13.431 1.00 75.23 C ATOM 0 H VAL A 113 10.650 -6.058 -13.525 1.00 61.14 H new ATOM 0 HA VAL A 113 9.383 -4.667 -11.523 1.00 23.05 H new ATOM 0 HB VAL A 113 9.273 -4.200 -14.532 1.00 64.20 H new ATOM 0 HG11 VAL A 113 8.867 -1.843 -13.953 1.00 33.54 H new ATOM 0 HG12 VAL A 113 7.563 -2.902 -13.366 1.00 33.54 H new ATOM 0 HG13 VAL A 113 8.786 -2.284 -12.230 1.00 33.54 H new ATOM 0 HG21 VAL A 113 11.180 -2.693 -14.132 1.00 75.23 H new ATOM 0 HG22 VAL A 113 11.194 -3.171 -12.418 1.00 75.23 H new ATOM 0 HG23 VAL A 113 11.559 -4.372 -13.680 1.00 75.23 H new ATOM 1667 N GLU A 114 7.291 -6.190 -13.542 1.00 42.11 N ATOM 1668 CA GLU A 114 5.896 -6.571 -13.729 1.00 62.01 C ATOM 1669 C GLU A 114 5.396 -7.401 -12.550 1.00 62.23 C ATOM 1670 O GLU A 114 4.246 -7.273 -12.130 1.00 13.05 O ATOM 1671 CB GLU A 114 5.730 -7.360 -15.030 1.00 12.14 C ATOM 1672 CG GLU A 114 5.745 -6.490 -16.275 1.00 74.13 C ATOM 1673 CD GLU A 114 4.603 -5.492 -16.303 1.00 45.14 C ATOM 1674 OE1 GLU A 114 4.825 -4.349 -16.756 1.00 31.40 O ATOM 1675 OE2 GLU A 114 3.489 -5.854 -15.873 1.00 34.14 O ATOM 0 H GLU A 114 7.945 -6.662 -14.166 1.00 42.11 H new ATOM 0 HA GLU A 114 5.301 -5.659 -13.787 1.00 62.01 H new ATOM 0 HB2 GLU A 114 6.530 -8.097 -15.103 1.00 12.14 H new ATOM 0 HB3 GLU A 114 4.790 -7.911 -14.993 1.00 12.14 H new ATOM 0 HG2 GLU A 114 6.693 -5.954 -16.328 1.00 74.13 H new ATOM 0 HG3 GLU A 114 5.689 -7.126 -17.159 1.00 74.13 H new ATOM 1682 N LEU A 115 6.268 -8.253 -12.022 1.00 43.31 N ATOM 1683 CA LEU A 115 5.917 -9.105 -10.892 1.00 34.32 C ATOM 1684 C LEU A 115 5.644 -8.271 -9.644 1.00 45.13 C ATOM 1685 O LEU A 115 4.761 -8.593 -8.850 1.00 22.15 O ATOM 1686 CB LEU A 115 7.039 -10.107 -10.614 1.00 41.25 C ATOM 1687 CG LEU A 115 6.911 -11.466 -11.303 1.00 43.13 C ATOM 1688 CD1 LEU A 115 7.495 -11.410 -12.707 1.00 35.03 C ATOM 1689 CD2 LEU A 115 7.598 -12.547 -10.481 1.00 74.13 C ATOM 0 H LEU A 115 7.223 -8.372 -12.359 1.00 43.31 H new ATOM 0 HA LEU A 115 5.008 -9.649 -11.149 1.00 34.32 H new ATOM 0 HB2 LEU A 115 7.984 -9.656 -10.916 1.00 41.25 H new ATOM 0 HB3 LEU A 115 7.094 -10.271 -9.538 1.00 41.25 H new ATOM 0 HG LEU A 115 5.852 -11.714 -11.381 1.00 43.13 H new ATOM 0 HD11 LEU A 115 7.395 -12.386 -13.182 1.00 35.03 H new ATOM 0 HD12 LEU A 115 6.959 -10.664 -13.294 1.00 35.03 H new ATOM 0 HD13 LEU A 115 8.550 -11.140 -12.652 1.00 35.03 H new ATOM 0 HD21 LEU A 115 7.497 -13.508 -10.986 1.00 74.13 H new ATOM 0 HD22 LEU A 115 8.655 -12.304 -10.371 1.00 74.13 H new ATOM 0 HD23 LEU A 115 7.135 -12.605 -9.496 1.00 74.13 H new ATOM 1701 N VAL A 116 6.408 -7.195 -9.480 1.00 21.33 N ATOM 1702 CA VAL A 116 6.247 -6.312 -8.331 1.00 23.12 C ATOM 1703 C VAL A 116 5.149 -5.284 -8.578 1.00 4.42 C ATOM 1704 O VAL A 116 4.431 -4.895 -7.658 1.00 14.04 O ATOM 1705 CB VAL A 116 7.560 -5.577 -8.000 1.00 53.43 C ATOM 1706 CG1 VAL A 116 7.999 -4.714 -9.174 1.00 31.41 C ATOM 1707 CG2 VAL A 116 7.397 -4.737 -6.742 1.00 50.25 C ATOM 0 H VAL A 116 7.144 -6.914 -10.128 1.00 21.33 H new ATOM 0 HA VAL A 116 5.968 -6.940 -7.485 1.00 23.12 H new ATOM 0 HB VAL A 116 8.336 -6.320 -7.816 1.00 53.43 H new ATOM 0 HG11 VAL A 116 8.928 -4.202 -8.922 1.00 31.41 H new ATOM 0 HG12 VAL A 116 8.157 -5.344 -10.049 1.00 31.41 H new ATOM 0 HG13 VAL A 116 7.227 -3.977 -9.392 1.00 31.41 H new ATOM 0 HG21 VAL A 116 8.334 -4.225 -6.523 1.00 50.25 H new ATOM 0 HG22 VAL A 116 6.608 -4.001 -6.896 1.00 50.25 H new ATOM 0 HG23 VAL A 116 7.132 -5.383 -5.905 1.00 50.25 H new ATOM 1717 N ALA A 117 5.026 -4.847 -9.827 1.00 14.32 N ATOM 1718 CA ALA A 117 4.013 -3.865 -10.196 1.00 4.12 C ATOM 1719 C ALA A 117 2.627 -4.307 -9.739 1.00 4.14 C ATOM 1720 O ALA A 117 1.922 -3.566 -9.053 1.00 2.12 O ATOM 1721 CB ALA A 117 4.026 -3.633 -11.700 1.00 23.35 C ATOM 0 H ALA A 117 5.615 -5.157 -10.600 1.00 14.32 H new ATOM 0 HA ALA A 117 4.251 -2.928 -9.693 1.00 4.12 H new ATOM 0 HB1 ALA A 117 3.265 -2.898 -11.961 1.00 23.35 H new ATOM 0 HB2 ALA A 117 5.006 -3.264 -12.003 1.00 23.35 H new ATOM 0 HB3 ALA A 117 3.816 -4.571 -12.215 1.00 23.35 H new ATOM 1727 N THR A 118 2.241 -5.520 -10.123 1.00 40.52 N ATOM 1728 CA THR A 118 0.939 -6.059 -9.754 1.00 74.54 C ATOM 1729 C THR A 118 0.703 -5.948 -8.253 1.00 35.55 C ATOM 1730 O THR A 118 -0.426 -5.744 -7.804 1.00 55.15 O ATOM 1731 CB THR A 118 0.802 -7.535 -10.176 1.00 50.44 C ATOM 1732 OG1 THR A 118 -0.518 -8.007 -9.885 1.00 23.54 O ATOM 1733 CG2 THR A 118 1.827 -8.400 -9.458 1.00 55.13 C ATOM 0 H THR A 118 2.812 -6.147 -10.689 1.00 40.52 H new ATOM 0 HA THR A 118 0.191 -5.467 -10.281 1.00 74.54 H new ATOM 0 HB THR A 118 0.982 -7.602 -11.249 1.00 50.44 H new ATOM 0 HG1 THR A 118 -0.597 -8.945 -10.157 1.00 23.54 H new ATOM 0 HG21 THR A 118 1.711 -9.437 -9.772 1.00 55.13 H new ATOM 0 HG22 THR A 118 2.831 -8.056 -9.706 1.00 55.13 H new ATOM 0 HG23 THR A 118 1.674 -8.327 -8.381 1.00 55.13 H new ATOM 1741 N LEU A 119 1.774 -6.084 -7.479 1.00 13.34 N ATOM 1742 CA LEU A 119 1.683 -5.998 -6.025 1.00 42.41 C ATOM 1743 C LEU A 119 1.649 -4.543 -5.567 1.00 24.22 C ATOM 1744 O LEU A 119 0.965 -4.202 -4.602 1.00 50.44 O ATOM 1745 CB LEU A 119 2.865 -6.721 -5.377 1.00 60.11 C ATOM 1746 CG LEU A 119 3.287 -8.037 -6.032 1.00 3.21 C ATOM 1747 CD1 LEU A 119 4.626 -8.502 -5.480 1.00 60.03 C ATOM 1748 CD2 LEU A 119 2.222 -9.103 -5.822 1.00 22.13 C ATOM 0 H LEU A 119 2.715 -6.254 -7.833 1.00 13.34 H new ATOM 0 HA LEU A 119 0.756 -6.479 -5.714 1.00 42.41 H new ATOM 0 HB2 LEU A 119 3.722 -6.047 -5.377 1.00 60.11 H new ATOM 0 HB3 LEU A 119 2.616 -6.920 -4.335 1.00 60.11 H new ATOM 0 HG LEU A 119 3.397 -7.869 -7.103 1.00 3.21 H new ATOM 0 HD11 LEU A 119 4.910 -9.440 -5.957 1.00 60.03 H new ATOM 0 HD12 LEU A 119 5.385 -7.747 -5.683 1.00 60.03 H new ATOM 0 HD13 LEU A 119 4.543 -8.653 -4.404 1.00 60.03 H new ATOM 0 HD21 LEU A 119 2.539 -10.032 -6.295 1.00 22.13 H new ATOM 0 HD22 LEU A 119 2.079 -9.269 -4.754 1.00 22.13 H new ATOM 0 HD23 LEU A 119 1.283 -8.772 -6.266 1.00 22.13 H new ATOM 1760 N SER A 120 2.391 -3.690 -6.266 1.00 63.31 N ATOM 1761 CA SER A 120 2.448 -2.272 -5.930 1.00 74.51 C ATOM 1762 C SER A 120 1.094 -1.607 -6.156 1.00 15.45 C ATOM 1763 O SER A 120 0.642 -0.804 -5.340 1.00 10.42 O ATOM 1764 CB SER A 120 3.519 -1.571 -6.767 1.00 3.35 C ATOM 1765 OG SER A 120 3.031 -1.252 -8.058 1.00 14.21 O ATOM 0 H SER A 120 2.961 -3.956 -7.069 1.00 63.31 H new ATOM 0 HA SER A 120 2.706 -2.183 -4.875 1.00 74.51 H new ATOM 0 HB2 SER A 120 3.841 -0.661 -6.262 1.00 3.35 H new ATOM 0 HB3 SER A 120 4.395 -2.214 -6.855 1.00 3.35 H new ATOM 0 HG SER A 120 2.527 -2.013 -8.415 1.00 14.21 H new