USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=23 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 27 TYR OH : rot 30:sc= 0.0247 USER MOD Set 2.2: A 120 SER OG : rot 177:sc= 0.022 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0459 (180deg=-0.366) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 126:sc= 0.885 USER MOD Single : A 11 SER OG : rot 170:sc= 0.294 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 175:sc= -2.18 (180deg=-2.49!) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.877 F(o=-2.8!,f=-0.88) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 24 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.092) 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 52 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 70 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 151:sc= 0.838 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 79:sc= 0.643 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -170:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -147:sc= -0.274 (180deg=-0.634) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.561 -0.267 -0.568 1.00 50.45 N ATOM 2 CA MET A 1 2.529 0.720 -1.034 1.00 72.12 C ATOM 3 C MET A 1 3.956 0.227 -0.815 1.00 13.32 C ATOM 4 O MET A 1 4.432 0.162 0.319 1.00 41.22 O ATOM 5 CB MET A 1 2.320 2.052 -0.311 1.00 72.21 C ATOM 6 CG MET A 1 2.738 3.261 -1.132 1.00 15.11 C ATOM 7 SD MET A 1 2.430 4.819 -0.279 1.00 1.53 S ATOM 8 CE MET A 1 3.608 4.707 1.066 1.00 51.41 C ATOM 0 H1 MET A 1 0.597 0.090 -0.727 1.00 50.45 H new ATOM 0 H2 MET A 1 1.692 -1.156 -1.092 1.00 50.45 H new ATOM 0 H3 MET A 1 1.703 -0.440 0.448 1.00 50.45 H new ATOM 0 HA MET A 1 2.374 0.867 -2.103 1.00 72.12 H new ATOM 0 HB2 MET A 1 1.268 2.150 -0.045 1.00 72.21 H new ATOM 0 HB3 MET A 1 2.885 2.043 0.621 1.00 72.21 H new ATOM 0 HG2 MET A 1 3.799 3.185 -1.370 1.00 15.11 H new ATOM 0 HG3 MET A 1 2.198 3.257 -2.079 1.00 15.11 H new ATOM 0 HE1 MET A 1 3.746 5.692 1.512 1.00 51.41 H new ATOM 0 HE2 MET A 1 3.233 4.016 1.821 1.00 51.41 H new ATOM 0 HE3 MET A 1 4.562 4.344 0.684 1.00 51.41 H new ATOM 18 N ILE A 2 4.632 -0.118 -1.905 1.00 73.52 N ATOM 19 CA ILE A 2 6.004 -0.604 -1.831 1.00 30.23 C ATOM 20 C ILE A 2 6.934 0.461 -1.259 1.00 33.43 C ATOM 21 O ILE A 2 7.271 1.432 -1.935 1.00 4.41 O ATOM 22 CB ILE A 2 6.525 -1.035 -3.215 1.00 13.34 C ATOM 23 CG1 ILE A 2 5.624 -2.120 -3.808 1.00 13.22 C ATOM 24 CG2 ILE A 2 7.960 -1.529 -3.110 1.00 52.13 C ATOM 25 CD1 ILE A 2 5.606 -3.399 -3.000 1.00 53.50 C ATOM 0 H ILE A 2 4.252 -0.070 -2.850 1.00 73.52 H new ATOM 0 HA ILE A 2 5.996 -1.470 -1.169 1.00 30.23 H new ATOM 0 HB ILE A 2 6.507 -0.171 -3.879 1.00 13.34 H new ATOM 0 HG12 ILE A 2 4.607 -1.734 -3.885 1.00 13.22 H new ATOM 0 HG13 ILE A 2 5.958 -2.344 -4.821 1.00 13.22 H new ATOM 0 HG21 ILE A 2 8.314 -1.830 -4.096 1.00 52.13 H new ATOM 0 HG22 ILE A 2 8.593 -0.729 -2.726 1.00 52.13 H new ATOM 0 HG23 ILE A 2 8.002 -2.382 -2.433 1.00 52.13 H new ATOM 0 HD11 ILE A 2 4.947 -4.123 -3.479 1.00 53.50 H new ATOM 0 HD12 ILE A 2 6.615 -3.808 -2.944 1.00 53.50 H new ATOM 0 HD13 ILE A 2 5.243 -3.189 -1.994 1.00 53.50 H new ATOM 37 N ARG A 3 7.346 0.270 -0.010 1.00 34.43 N ATOM 38 CA ARG A 3 8.237 1.213 0.653 1.00 3.35 C ATOM 39 C ARG A 3 9.693 0.777 0.512 1.00 13.13 C ATOM 40 O ARG A 3 10.568 1.586 0.201 1.00 72.33 O ATOM 41 CB ARG A 3 7.873 1.338 2.134 1.00 55.52 C ATOM 42 CG ARG A 3 8.146 2.717 2.714 1.00 74.50 C ATOM 43 CD ARG A 3 7.223 3.766 2.114 1.00 10.24 C ATOM 44 NE ARG A 3 7.010 4.891 3.022 1.00 62.51 N ATOM 45 CZ ARG A 3 7.929 5.816 3.273 1.00 24.15 C ATOM 46 NH1 ARG A 3 9.117 5.751 2.688 1.00 4.35 N ATOM 47 NH2 ARG A 3 7.661 6.809 4.112 1.00 53.05 N ATOM 0 H ARG A 3 7.077 -0.530 0.563 1.00 34.43 H new ATOM 0 HA ARG A 3 8.118 2.184 0.173 1.00 3.35 H new ATOM 0 HB2 ARG A 3 6.816 1.102 2.261 1.00 55.52 H new ATOM 0 HB3 ARG A 3 8.435 0.597 2.702 1.00 55.52 H new ATOM 0 HG2 ARG A 3 8.014 2.691 3.796 1.00 74.50 H new ATOM 0 HG3 ARG A 3 9.184 2.993 2.526 1.00 74.50 H new ATOM 0 HD2 ARG A 3 7.648 4.130 1.179 1.00 10.24 H new ATOM 0 HD3 ARG A 3 6.264 3.309 1.872 1.00 10.24 H new ATOM 0 HE ARG A 3 6.106 4.970 3.488 1.00 62.51 H new ATOM 0 HH11 ARG A 3 9.327 4.989 2.043 1.00 4.35 H new ATOM 0 HH12 ARG A 3 9.821 6.463 2.883 1.00 4.35 H new ATOM 0 HH21 ARG A 3 6.748 6.862 4.565 1.00 53.05 H new ATOM 0 HH22 ARG A 3 8.368 7.519 4.304 1.00 53.05 H new ATOM 61 N THR A 4 9.945 -0.507 0.744 1.00 25.44 N ATOM 62 CA THR A 4 11.294 -1.051 0.645 1.00 30.11 C ATOM 63 C THR A 4 11.282 -2.440 0.016 1.00 0.35 C ATOM 64 O THR A 4 10.245 -3.103 -0.026 1.00 25.13 O ATOM 65 CB THR A 4 11.971 -1.131 2.027 1.00 74.14 C ATOM 66 OG1 THR A 4 11.320 -2.119 2.834 1.00 1.41 O ATOM 67 CG2 THR A 4 11.925 0.217 2.730 1.00 24.22 C ATOM 0 H THR A 4 9.233 -1.190 1.002 1.00 25.44 H new ATOM 0 HA THR A 4 11.862 -0.372 0.009 1.00 30.11 H new ATOM 0 HB THR A 4 13.014 -1.411 1.882 1.00 74.14 H new ATOM 0 HG1 THR A 4 11.984 -2.757 3.169 1.00 1.41 H new ATOM 0 HG21 THR A 4 12.409 0.136 3.703 1.00 24.22 H new ATOM 0 HG22 THR A 4 12.446 0.960 2.126 1.00 24.22 H new ATOM 0 HG23 THR A 4 10.887 0.522 2.865 1.00 24.22 H new ATOM 75 N ILE A 5 12.440 -2.874 -0.470 1.00 53.21 N ATOM 76 CA ILE A 5 12.562 -4.185 -1.095 1.00 33.12 C ATOM 77 C ILE A 5 13.893 -4.840 -0.742 1.00 73.41 C ATOM 78 O ILE A 5 14.915 -4.166 -0.615 1.00 43.55 O ATOM 79 CB ILE A 5 12.438 -4.092 -2.627 1.00 60.41 C ATOM 80 CG1 ILE A 5 11.132 -3.396 -3.014 1.00 12.20 C ATOM 81 CG2 ILE A 5 12.510 -5.479 -3.249 1.00 53.12 C ATOM 82 CD1 ILE A 5 10.975 -3.190 -4.504 1.00 60.34 C ATOM 0 H ILE A 5 13.307 -2.337 -0.443 1.00 53.21 H new ATOM 0 HA ILE A 5 11.746 -4.796 -0.710 1.00 33.12 H new ATOM 0 HB ILE A 5 13.270 -3.500 -3.009 1.00 60.41 H new ATOM 0 HG12 ILE A 5 10.293 -3.986 -2.647 1.00 12.20 H new ATOM 0 HG13 ILE A 5 11.084 -2.428 -2.515 1.00 12.20 H new ATOM 0 HG21 ILE A 5 12.421 -5.397 -4.332 1.00 53.12 H new ATOM 0 HG22 ILE A 5 13.464 -5.942 -2.997 1.00 53.12 H new ATOM 0 HG23 ILE A 5 11.696 -6.093 -2.864 1.00 53.12 H new ATOM 0 HD11 ILE A 5 10.027 -2.691 -4.704 1.00 60.34 H new ATOM 0 HD12 ILE A 5 11.794 -2.574 -4.874 1.00 60.34 H new ATOM 0 HD13 ILE A 5 10.991 -4.156 -5.009 1.00 60.34 H new ATOM 94 N LEU A 6 13.873 -6.159 -0.586 1.00 63.53 N ATOM 95 CA LEU A 6 15.079 -6.908 -0.250 1.00 45.01 C ATOM 96 C LEU A 6 15.352 -7.995 -1.285 1.00 32.23 C ATOM 97 O LEU A 6 14.460 -8.766 -1.639 1.00 41.55 O ATOM 98 CB LEU A 6 14.945 -7.533 1.140 1.00 51.23 C ATOM 99 CG LEU A 6 16.252 -7.775 1.896 1.00 15.22 C ATOM 100 CD1 LEU A 6 17.120 -8.778 1.154 1.00 63.15 C ATOM 101 CD2 LEU A 6 17.000 -6.466 2.100 1.00 43.23 C ATOM 0 H LEU A 6 13.035 -6.732 -0.687 1.00 63.53 H new ATOM 0 HA LEU A 6 15.919 -6.214 -0.250 1.00 45.01 H new ATOM 0 HB2 LEU A 6 14.312 -6.887 1.747 1.00 51.23 H new ATOM 0 HB3 LEU A 6 14.425 -8.486 1.039 1.00 51.23 H new ATOM 0 HG LEU A 6 16.012 -8.189 2.875 1.00 15.22 H new ATOM 0 HD11 LEU A 6 18.046 -8.937 1.707 1.00 63.15 H new ATOM 0 HD12 LEU A 6 16.585 -9.723 1.061 1.00 63.15 H new ATOM 0 HD13 LEU A 6 17.352 -8.394 0.161 1.00 63.15 H new ATOM 0 HD21 LEU A 6 17.928 -6.657 2.640 1.00 43.23 H new ATOM 0 HD22 LEU A 6 17.229 -6.023 1.131 1.00 43.23 H new ATOM 0 HD23 LEU A 6 16.380 -5.779 2.676 1.00 43.23 H new ATOM 113 N ALA A 7 16.590 -8.053 -1.763 1.00 43.53 N ATOM 114 CA ALA A 7 16.981 -9.048 -2.754 1.00 3.04 C ATOM 115 C ALA A 7 18.267 -9.757 -2.342 1.00 2.43 C ATOM 116 O ALA A 7 19.096 -9.192 -1.627 1.00 63.24 O ATOM 117 CB ALA A 7 17.149 -8.397 -4.119 1.00 1.15 C ATOM 0 H ALA A 7 17.340 -7.422 -1.480 1.00 43.53 H new ATOM 0 HA ALA A 7 16.189 -9.794 -2.815 1.00 3.04 H new ATOM 0 HB1 ALA A 7 17.441 -9.152 -4.849 1.00 1.15 H new ATOM 0 HB2 ALA A 7 16.206 -7.943 -4.424 1.00 1.15 H new ATOM 0 HB3 ALA A 7 17.920 -7.629 -4.063 1.00 1.15 H new ATOM 123 N ILE A 8 18.426 -10.995 -2.796 1.00 21.24 N ATOM 124 CA ILE A 8 19.612 -11.780 -2.474 1.00 55.10 C ATOM 125 C ILE A 8 20.075 -12.594 -3.677 1.00 42.23 C ATOM 126 O ILE A 8 19.330 -13.418 -4.207 1.00 34.24 O ATOM 127 CB ILE A 8 19.352 -12.733 -1.293 1.00 21.43 C ATOM 128 CG1 ILE A 8 18.866 -11.948 -0.073 1.00 22.44 C ATOM 129 CG2 ILE A 8 20.612 -13.517 -0.958 1.00 5.13 C ATOM 130 CD1 ILE A 8 17.359 -11.886 0.045 1.00 24.42 C ATOM 0 H ILE A 8 17.749 -11.477 -3.388 1.00 21.24 H new ATOM 0 HA ILE A 8 20.393 -11.073 -2.194 1.00 55.10 H new ATOM 0 HB ILE A 8 18.573 -13.440 -1.580 1.00 21.43 H new ATOM 0 HG12 ILE A 8 19.274 -12.404 0.829 1.00 22.44 H new ATOM 0 HG13 ILE A 8 19.260 -10.933 -0.123 1.00 22.44 H new ATOM 0 HG21 ILE A 8 20.412 -14.186 -0.121 1.00 5.13 H new ATOM 0 HG22 ILE A 8 20.918 -14.102 -1.825 1.00 5.13 H new ATOM 0 HG23 ILE A 8 21.410 -12.825 -0.687 1.00 5.13 H new ATOM 0 HD11 ILE A 8 17.087 -11.314 0.932 1.00 24.42 H new ATOM 0 HD12 ILE A 8 16.944 -11.403 -0.840 1.00 24.42 H new ATOM 0 HD13 ILE A 8 16.959 -12.896 0.127 1.00 24.42 H new ATOM 142 N ASP A 9 21.311 -12.358 -4.103 1.00 62.02 N ATOM 143 CA ASP A 9 21.876 -13.071 -5.243 1.00 24.33 C ATOM 144 C ASP A 9 23.366 -13.329 -5.038 1.00 31.43 C ATOM 145 O ASP A 9 23.969 -12.824 -4.091 1.00 20.01 O ATOM 146 CB ASP A 9 21.657 -12.275 -6.530 1.00 75.20 C ATOM 147 CG ASP A 9 20.314 -12.568 -7.170 1.00 34.33 C ATOM 148 OD1 ASP A 9 20.283 -13.316 -8.170 1.00 10.30 O ATOM 149 OD2 ASP A 9 19.293 -12.051 -6.670 1.00 2.14 O ATOM 0 H ASP A 9 21.941 -11.679 -3.676 1.00 62.02 H new ATOM 0 HA ASP A 9 21.367 -14.031 -5.328 1.00 24.33 H new ATOM 0 HB2 ASP A 9 21.727 -11.209 -6.311 1.00 75.20 H new ATOM 0 HB3 ASP A 9 22.452 -12.508 -7.238 1.00 75.20 H new ATOM 154 N ASP A 10 23.952 -14.120 -5.930 1.00 43.41 N ATOM 155 CA ASP A 10 25.371 -14.445 -5.847 1.00 64.24 C ATOM 156 C ASP A 10 26.149 -13.777 -6.977 1.00 71.43 C ATOM 157 O ASP A 10 27.276 -13.322 -6.784 1.00 63.41 O ATOM 158 CB ASP A 10 25.573 -15.960 -5.899 1.00 73.42 C ATOM 159 CG ASP A 10 27.038 -16.350 -5.897 1.00 72.31 C ATOM 160 OD1 ASP A 10 27.677 -16.262 -6.967 1.00 21.35 O ATOM 161 OD2 ASP A 10 27.545 -16.743 -4.826 1.00 3.51 O ATOM 0 H ASP A 10 23.467 -14.548 -6.719 1.00 43.41 H new ATOM 0 HA ASP A 10 25.749 -14.068 -4.897 1.00 64.24 H new ATOM 0 HB2 ASP A 10 25.077 -16.419 -5.044 1.00 73.42 H new ATOM 0 HB3 ASP A 10 25.096 -16.357 -6.795 1.00 73.42 H new ATOM 166 N SER A 11 25.539 -13.723 -8.157 1.00 61.41 N ATOM 167 CA SER A 11 26.176 -13.116 -9.320 1.00 1.23 C ATOM 168 C SER A 11 26.216 -11.597 -9.185 1.00 51.52 C ATOM 169 O SER A 11 25.178 -10.945 -9.077 1.00 53.45 O ATOM 170 CB SER A 11 25.432 -13.507 -10.598 1.00 12.41 C ATOM 171 OG SER A 11 25.544 -12.494 -11.583 1.00 74.20 O ATOM 0 H SER A 11 24.605 -14.092 -8.333 1.00 61.41 H new ATOM 0 HA SER A 11 27.200 -13.486 -9.378 1.00 1.23 H new ATOM 0 HB2 SER A 11 25.836 -14.442 -10.986 1.00 12.41 H new ATOM 0 HB3 SER A 11 24.381 -13.683 -10.371 1.00 12.41 H new ATOM 0 HG SER A 11 25.203 -12.830 -12.438 1.00 74.20 H new ATOM 177 N ALA A 12 27.423 -11.040 -9.192 1.00 54.34 N ATOM 178 CA ALA A 12 27.599 -9.598 -9.073 1.00 41.34 C ATOM 179 C ALA A 12 26.741 -8.854 -10.091 1.00 13.33 C ATOM 180 O ALA A 12 26.184 -7.796 -9.794 1.00 74.21 O ATOM 181 CB ALA A 12 29.065 -9.229 -9.247 1.00 62.40 C ATOM 0 H ALA A 12 28.293 -11.566 -9.279 1.00 54.34 H new ATOM 0 HA ALA A 12 27.276 -9.299 -8.076 1.00 41.34 H new ATOM 0 HB1 ALA A 12 29.182 -8.149 -9.156 1.00 62.40 H new ATOM 0 HB2 ALA A 12 29.659 -9.724 -8.479 1.00 62.40 H new ATOM 0 HB3 ALA A 12 29.406 -9.549 -10.232 1.00 62.40 H new ATOM 187 N THR A 13 26.638 -9.412 -11.293 1.00 21.12 N ATOM 188 CA THR A 13 25.849 -8.801 -12.355 1.00 2.42 C ATOM 189 C THR A 13 24.361 -8.836 -12.024 1.00 44.24 C ATOM 190 O THR A 13 23.628 -7.893 -12.320 1.00 40.03 O ATOM 191 CB THR A 13 26.081 -9.506 -13.704 1.00 73.42 C ATOM 192 OG1 THR A 13 27.480 -9.541 -14.005 1.00 62.31 O ATOM 193 CG2 THR A 13 25.334 -8.795 -14.822 1.00 51.22 C ATOM 0 H THR A 13 27.092 -10.287 -11.555 1.00 21.12 H new ATOM 0 HA THR A 13 26.176 -7.764 -12.435 1.00 2.42 H new ATOM 0 HB THR A 13 25.702 -10.525 -13.626 1.00 73.42 H new ATOM 0 HG1 THR A 13 27.619 -9.993 -14.864 1.00 62.31 H new ATOM 0 HG21 THR A 13 25.513 -9.311 -15.765 1.00 51.22 H new ATOM 0 HG22 THR A 13 24.266 -8.797 -14.605 1.00 51.22 H new ATOM 0 HG23 THR A 13 25.687 -7.767 -14.899 1.00 51.22 H new ATOM 201 N MET A 14 23.922 -9.929 -11.409 1.00 4.10 N ATOM 202 CA MET A 14 22.521 -10.085 -11.037 1.00 21.13 C ATOM 203 C MET A 14 22.156 -9.150 -9.888 1.00 23.32 C ATOM 204 O MET A 14 21.128 -8.475 -9.927 1.00 73.15 O ATOM 205 CB MET A 14 22.235 -11.535 -10.640 1.00 41.14 C ATOM 206 CG MET A 14 22.111 -12.476 -11.827 1.00 62.25 C ATOM 207 SD MET A 14 20.640 -12.154 -12.819 1.00 44.53 S ATOM 208 CE MET A 14 21.123 -12.875 -14.386 1.00 23.43 C ATOM 0 H MET A 14 24.516 -10.719 -11.158 1.00 4.10 H new ATOM 0 HA MET A 14 21.910 -9.825 -11.902 1.00 21.13 H new ATOM 0 HB2 MET A 14 23.034 -11.889 -9.988 1.00 41.14 H new ATOM 0 HB3 MET A 14 21.312 -11.569 -10.061 1.00 41.14 H new ATOM 0 HG2 MET A 14 22.996 -12.380 -12.456 1.00 62.25 H new ATOM 0 HG3 MET A 14 22.085 -13.505 -11.469 1.00 62.25 H new ATOM 0 HE1 MET A 14 20.283 -12.834 -15.079 1.00 23.43 H new ATOM 0 HE2 MET A 14 21.963 -12.317 -14.800 1.00 23.43 H new ATOM 0 HE3 MET A 14 21.418 -13.913 -14.233 1.00 23.43 H new ATOM 218 N ARG A 15 23.005 -9.117 -8.866 1.00 3.51 N ATOM 219 CA ARG A 15 22.771 -8.266 -7.706 1.00 12.54 C ATOM 220 C ARG A 15 22.669 -6.800 -8.118 1.00 12.00 C ATOM 221 O ARG A 15 21.877 -6.041 -7.559 1.00 25.31 O ATOM 222 CB ARG A 15 23.894 -8.441 -6.682 1.00 61.41 C ATOM 223 CG ARG A 15 23.638 -9.557 -5.682 1.00 15.42 C ATOM 224 CD ARG A 15 24.394 -9.325 -4.383 1.00 62.12 C ATOM 225 NE ARG A 15 25.813 -9.070 -4.615 1.00 4.03 N ATOM 226 CZ ARG A 15 26.680 -10.010 -4.974 1.00 21.41 C ATOM 227 NH1 ARG A 15 26.274 -11.261 -5.142 1.00 61.24 N ATOM 228 NH2 ARG A 15 27.956 -9.700 -5.166 1.00 72.10 N ATOM 0 H ARG A 15 23.861 -9.670 -8.818 1.00 3.51 H new ATOM 0 HA ARG A 15 21.826 -8.566 -7.253 1.00 12.54 H new ATOM 0 HB2 ARG A 15 24.826 -8.644 -7.209 1.00 61.41 H new ATOM 0 HB3 ARG A 15 24.030 -7.504 -6.141 1.00 61.41 H new ATOM 0 HG2 ARG A 15 22.570 -9.624 -5.476 1.00 15.42 H new ATOM 0 HG3 ARG A 15 23.940 -10.511 -6.115 1.00 15.42 H new ATOM 0 HD2 ARG A 15 23.955 -8.479 -3.854 1.00 62.12 H new ATOM 0 HD3 ARG A 15 24.283 -10.197 -3.738 1.00 62.12 H new ATOM 0 HE ARG A 15 26.157 -8.117 -4.495 1.00 4.03 H new ATOM 0 HH11 ARG A 15 25.294 -11.503 -4.996 1.00 61.24 H new ATOM 0 HH12 ARG A 15 26.942 -11.981 -5.418 1.00 61.24 H new ATOM 0 HH21 ARG A 15 28.272 -8.739 -5.038 1.00 72.10 H new ATOM 0 HH22 ARG A 15 28.621 -10.423 -5.442 1.00 72.10 H new ATOM 242 N ALA A 16 23.475 -6.409 -9.099 1.00 64.23 N ATOM 243 CA ALA A 16 23.475 -5.036 -9.587 1.00 52.24 C ATOM 244 C ALA A 16 22.302 -4.789 -10.530 1.00 40.41 C ATOM 245 O ALA A 16 21.601 -3.782 -10.415 1.00 63.14 O ATOM 246 CB ALA A 16 24.790 -4.723 -10.285 1.00 63.12 C ATOM 0 H ALA A 16 24.137 -7.024 -9.572 1.00 64.23 H new ATOM 0 HA ALA A 16 23.365 -4.372 -8.729 1.00 52.24 H new ATOM 0 HB1 ALA A 16 24.775 -3.694 -10.644 1.00 63.12 H new ATOM 0 HB2 ALA A 16 25.614 -4.851 -9.583 1.00 63.12 H new ATOM 0 HB3 ALA A 16 24.924 -5.400 -11.129 1.00 63.12 H new ATOM 252 N LEU A 17 22.094 -5.712 -11.462 1.00 53.12 N ATOM 253 CA LEU A 17 21.005 -5.594 -12.426 1.00 41.12 C ATOM 254 C LEU A 17 19.662 -5.451 -11.717 1.00 24.13 C ATOM 255 O LEU A 17 18.979 -4.436 -11.856 1.00 41.23 O ATOM 256 CB LEU A 17 20.980 -6.814 -13.349 1.00 1.22 C ATOM 257 CG LEU A 17 20.077 -6.707 -14.578 1.00 64.04 C ATOM 258 CD1 LEU A 17 18.617 -6.869 -14.185 1.00 25.35 C ATOM 259 CD2 LEU A 17 20.296 -5.378 -15.287 1.00 20.03 C ATOM 0 H LEU A 17 22.665 -6.550 -11.571 1.00 53.12 H new ATOM 0 HA LEU A 17 21.177 -4.698 -13.022 1.00 41.12 H new ATOM 0 HB2 LEU A 17 21.998 -7.010 -13.687 1.00 1.22 H new ATOM 0 HB3 LEU A 17 20.665 -7.679 -12.766 1.00 1.22 H new ATOM 0 HG LEU A 17 20.337 -7.511 -15.266 1.00 64.04 H new ATOM 0 HD11 LEU A 17 17.990 -6.790 -15.073 1.00 25.35 H new ATOM 0 HD12 LEU A 17 18.471 -7.846 -13.724 1.00 25.35 H new ATOM 0 HD13 LEU A 17 18.342 -6.088 -13.476 1.00 25.35 H new ATOM 0 HD21 LEU A 17 19.645 -5.319 -16.159 1.00 20.03 H new ATOM 0 HD22 LEU A 17 20.064 -4.560 -14.606 1.00 20.03 H new ATOM 0 HD23 LEU A 17 21.336 -5.302 -15.605 1.00 20.03 H new ATOM 271 N LEU A 18 19.291 -6.473 -10.954 1.00 31.13 N ATOM 272 CA LEU A 18 18.030 -6.461 -10.219 1.00 64.14 C ATOM 273 C LEU A 18 17.915 -5.209 -9.357 1.00 14.52 C ATOM 274 O LEU A 18 16.882 -4.538 -9.353 1.00 12.21 O ATOM 275 CB LEU A 18 17.916 -7.710 -9.343 1.00 51.14 C ATOM 276 CG LEU A 18 17.552 -9.007 -10.067 1.00 54.53 C ATOM 277 CD1 LEU A 18 17.869 -10.212 -9.196 1.00 0.22 C ATOM 278 CD2 LEU A 18 16.082 -9.003 -10.461 1.00 15.25 C ATOM 0 H LEU A 18 19.845 -7.320 -10.828 1.00 31.13 H new ATOM 0 HA LEU A 18 17.215 -6.457 -10.943 1.00 64.14 H new ATOM 0 HB2 LEU A 18 18.867 -7.858 -8.831 1.00 51.14 H new ATOM 0 HB3 LEU A 18 17.166 -7.523 -8.575 1.00 51.14 H new ATOM 0 HG LEU A 18 18.151 -9.074 -10.975 1.00 54.53 H new ATOM 0 HD11 LEU A 18 17.603 -11.125 -9.728 1.00 0.22 H new ATOM 0 HD12 LEU A 18 18.934 -10.224 -8.965 1.00 0.22 H new ATOM 0 HD13 LEU A 18 17.297 -10.152 -8.270 1.00 0.22 H new ATOM 0 HD21 LEU A 18 15.841 -9.933 -10.975 1.00 15.25 H new ATOM 0 HD22 LEU A 18 15.466 -8.912 -9.566 1.00 15.25 H new ATOM 0 HD23 LEU A 18 15.885 -8.161 -11.124 1.00 15.25 H new ATOM 290 N HIS A 19 18.982 -4.897 -8.628 1.00 70.31 N ATOM 291 CA HIS A 19 19.001 -3.723 -7.763 1.00 42.12 C ATOM 292 C HIS A 19 18.720 -2.454 -8.563 1.00 71.51 C ATOM 293 O HIS A 19 18.020 -1.557 -8.095 1.00 43.43 O ATOM 294 CB HIS A 19 20.352 -3.605 -7.057 1.00 63.42 C ATOM 295 CG HIS A 19 20.523 -2.325 -6.300 1.00 11.33 C ATOM 296 ND1 HIS A 19 19.805 -1.796 -5.282 1.00 52.41 N flip ATOM 297 CD2 HIS A 19 21.532 -1.423 -6.564 1.00 13.24 C flip ATOM 298 CE1 HIS A 19 20.387 -0.597 -4.952 1.00 71.22 C flip ATOM 299 NE2 HIS A 19 21.428 -0.395 -5.740 1.00 4.11 N flip ATOM 0 H HIS A 19 19.845 -5.441 -8.619 1.00 70.31 H new ATOM 0 HA HIS A 19 18.217 -3.841 -7.015 1.00 42.12 H new ATOM 0 HB2 HIS A 19 20.467 -4.442 -6.369 1.00 63.42 H new ATOM 0 HB3 HIS A 19 21.148 -3.689 -7.797 1.00 63.42 H new ATOM 0 HD2 HIS A 19 22.289 -1.539 -7.325 1.00 13.24 H new ATOM 0 HE1 HIS A 19 20.049 0.072 -4.175 1.00 71.22 H new ATOM 0 HE2 HIS A 19 22.046 0.416 -5.716 1.00 4.11 H new ATOM 307 N ALA A 20 19.270 -2.388 -9.771 1.00 4.01 N ATOM 308 CA ALA A 20 19.078 -1.231 -10.636 1.00 14.44 C ATOM 309 C ALA A 20 17.659 -1.193 -11.195 1.00 24.41 C ATOM 310 O ALA A 20 17.058 -0.126 -11.321 1.00 33.22 O ATOM 311 CB ALA A 20 20.093 -1.243 -11.768 1.00 45.12 C ATOM 0 H ALA A 20 19.852 -3.123 -10.173 1.00 4.01 H new ATOM 0 HA ALA A 20 19.229 -0.333 -10.038 1.00 14.44 H new ATOM 0 HB1 ALA A 20 19.937 -0.373 -12.406 1.00 45.12 H new ATOM 0 HB2 ALA A 20 21.101 -1.213 -11.353 1.00 45.12 H new ATOM 0 HB3 ALA A 20 19.970 -2.152 -12.358 1.00 45.12 H new ATOM 317 N THR A 21 17.129 -2.366 -11.530 1.00 44.44 N ATOM 318 CA THR A 21 15.783 -2.467 -12.078 1.00 54.21 C ATOM 319 C THR A 21 14.767 -1.782 -11.170 1.00 60.54 C ATOM 320 O THR A 21 13.978 -0.950 -11.620 1.00 63.24 O ATOM 321 CB THR A 21 15.367 -3.936 -12.279 1.00 33.32 C ATOM 322 OG1 THR A 21 16.512 -4.728 -12.613 1.00 30.44 O ATOM 323 CG2 THR A 21 14.322 -4.058 -13.378 1.00 10.32 C ATOM 0 H THR A 21 17.612 -3.259 -11.431 1.00 44.44 H new ATOM 0 HA THR A 21 15.797 -1.966 -13.046 1.00 54.21 H new ATOM 0 HB THR A 21 14.934 -4.298 -11.347 1.00 33.32 H new ATOM 0 HG1 THR A 21 16.239 -5.661 -12.737 1.00 30.44 H new ATOM 0 HG21 THR A 21 14.044 -5.105 -13.501 1.00 10.32 H new ATOM 0 HG22 THR A 21 13.440 -3.478 -13.107 1.00 10.32 H new ATOM 0 HG23 THR A 21 14.732 -3.679 -14.314 1.00 10.32 H new ATOM 331 N LEU A 22 14.791 -2.137 -9.890 1.00 64.04 N ATOM 332 CA LEU A 22 13.872 -1.556 -8.918 1.00 4.21 C ATOM 333 C LEU A 22 14.304 -0.143 -8.538 1.00 32.14 C ATOM 334 O LEU A 22 13.469 0.738 -8.333 1.00 70.43 O ATOM 335 CB LEU A 22 13.800 -2.433 -7.667 1.00 63.40 C ATOM 336 CG LEU A 22 12.872 -3.646 -7.750 1.00 42.23 C ATOM 337 CD1 LEU A 22 13.190 -4.638 -6.642 1.00 73.15 C ATOM 338 CD2 LEU A 22 11.416 -3.209 -7.677 1.00 24.14 C ATOM 0 H LEU A 22 15.437 -2.824 -9.501 1.00 64.04 H new ATOM 0 HA LEU A 22 12.884 -1.504 -9.375 1.00 4.21 H new ATOM 0 HB2 LEU A 22 14.805 -2.785 -7.436 1.00 63.40 H new ATOM 0 HB3 LEU A 22 13.480 -1.812 -6.830 1.00 63.40 H new ATOM 0 HG LEU A 22 13.034 -4.140 -8.708 1.00 42.23 H new ATOM 0 HD11 LEU A 22 12.520 -5.494 -6.717 1.00 73.15 H new ATOM 0 HD12 LEU A 22 14.222 -4.975 -6.741 1.00 73.15 H new ATOM 0 HD13 LEU A 22 13.057 -4.157 -5.673 1.00 73.15 H new ATOM 0 HD21 LEU A 22 10.770 -4.085 -7.738 1.00 24.14 H new ATOM 0 HD22 LEU A 22 11.238 -2.691 -6.734 1.00 24.14 H new ATOM 0 HD23 LEU A 22 11.196 -2.537 -8.507 1.00 24.14 H new ATOM 350 N ALA A 23 15.613 0.066 -8.447 1.00 21.15 N ATOM 351 CA ALA A 23 16.156 1.372 -8.095 1.00 54.43 C ATOM 352 C ALA A 23 15.684 2.443 -9.073 1.00 10.50 C ATOM 353 O ALA A 23 15.120 3.460 -8.669 1.00 32.43 O ATOM 354 CB ALA A 23 17.676 1.320 -8.059 1.00 52.44 C ATOM 0 H ALA A 23 16.318 -0.653 -8.612 1.00 21.15 H new ATOM 0 HA ALA A 23 15.790 1.635 -7.103 1.00 54.43 H new ATOM 0 HB1 ALA A 23 18.068 2.302 -7.795 1.00 52.44 H new ATOM 0 HB2 ALA A 23 17.998 0.590 -7.317 1.00 52.44 H new ATOM 0 HB3 ALA A 23 18.053 1.031 -9.040 1.00 52.44 H new ATOM 360 N GLN A 24 15.920 2.209 -10.360 1.00 32.33 N ATOM 361 CA GLN A 24 15.520 3.155 -11.394 1.00 52.22 C ATOM 362 C GLN A 24 14.027 3.455 -11.310 1.00 11.23 C ATOM 363 O GLN A 24 13.593 4.575 -11.578 1.00 72.12 O ATOM 364 CB GLN A 24 15.864 2.605 -12.779 1.00 71.13 C ATOM 365 CG GLN A 24 17.345 2.680 -13.113 1.00 40.22 C ATOM 366 CD GLN A 24 17.826 4.104 -13.314 1.00 62.33 C ATOM 367 OE1 GLN A 24 17.674 4.676 -14.394 1.00 23.10 O ATOM 368 NE2 GLN A 24 18.411 4.684 -12.273 1.00 13.03 N ATOM 0 H GLN A 24 16.386 1.372 -10.711 1.00 32.33 H new ATOM 0 HA GLN A 24 16.068 4.083 -11.233 1.00 52.22 H new ATOM 0 HB2 GLN A 24 15.539 1.566 -12.839 1.00 71.13 H new ATOM 0 HB3 GLN A 24 15.302 3.159 -13.531 1.00 71.13 H new ATOM 0 HG2 GLN A 24 17.919 2.217 -12.310 1.00 40.22 H new ATOM 0 HG3 GLN A 24 17.539 2.104 -14.018 1.00 40.22 H new ATOM 0 HE21 GLN A 24 18.516 4.173 -11.397 1.00 13.03 H new ATOM 0 HE22 GLN A 24 18.755 5.641 -12.349 1.00 13.03 H new ATOM 377 N ALA A 25 13.246 2.447 -10.935 1.00 40.04 N ATOM 378 CA ALA A 25 11.802 2.604 -10.814 1.00 70.50 C ATOM 379 C ALA A 25 11.446 3.531 -9.658 1.00 14.35 C ATOM 380 O ALA A 25 10.350 4.088 -9.611 1.00 14.23 O ATOM 381 CB ALA A 25 11.138 1.247 -10.629 1.00 52.20 C ATOM 0 H ALA A 25 13.589 1.513 -10.710 1.00 40.04 H new ATOM 0 HA ALA A 25 11.432 3.055 -11.734 1.00 70.50 H new ATOM 0 HB1 ALA A 25 10.060 1.379 -10.540 1.00 52.20 H new ATOM 0 HB2 ALA A 25 11.356 0.615 -11.490 1.00 52.20 H new ATOM 0 HB3 ALA A 25 11.522 0.774 -9.725 1.00 52.20 H new ATOM 387 N GLY A 26 12.379 3.693 -8.725 1.00 22.54 N ATOM 388 CA GLY A 26 12.144 4.553 -7.580 1.00 55.21 C ATOM 389 C GLY A 26 12.132 3.788 -6.272 1.00 34.22 C ATOM 390 O GLY A 26 12.588 4.292 -5.245 1.00 53.23 O ATOM 0 H GLY A 26 13.294 3.243 -8.742 1.00 22.54 H new ATOM 0 HA2 GLY A 26 12.917 5.320 -7.541 1.00 55.21 H new ATOM 0 HA3 GLY A 26 11.191 5.067 -7.705 1.00 55.21 H new ATOM 394 N TYR A 27 11.608 2.568 -6.307 1.00 35.21 N ATOM 395 CA TYR A 27 11.534 1.733 -5.114 1.00 20.12 C ATOM 396 C TYR A 27 12.897 1.631 -4.435 1.00 72.04 C ATOM 397 O TYR A 27 13.935 1.788 -5.078 1.00 34.43 O ATOM 398 CB TYR A 27 11.025 0.336 -5.474 1.00 24.02 C ATOM 399 CG TYR A 27 9.760 0.347 -6.301 1.00 33.01 C ATOM 400 CD1 TYR A 27 9.755 -0.130 -7.606 1.00 45.01 C ATOM 401 CD2 TYR A 27 8.569 0.835 -5.778 1.00 53.01 C ATOM 402 CE1 TYR A 27 8.602 -0.121 -8.366 1.00 32.31 C ATOM 403 CE2 TYR A 27 7.410 0.846 -6.530 1.00 50.21 C ATOM 404 CZ TYR A 27 7.432 0.367 -7.823 1.00 54.24 C ATOM 405 OH TYR A 27 6.280 0.378 -8.576 1.00 73.12 O ATOM 0 H TYR A 27 11.228 2.135 -7.149 1.00 35.21 H new ATOM 0 HA TYR A 27 10.836 2.198 -4.418 1.00 20.12 H new ATOM 0 HB2 TYR A 27 11.803 -0.195 -6.023 1.00 24.02 H new ATOM 0 HB3 TYR A 27 10.844 -0.223 -4.556 1.00 24.02 H new ATOM 0 HD1 TYR A 27 10.669 -0.515 -8.034 1.00 45.01 H new ATOM 0 HD2 TYR A 27 8.549 1.212 -4.766 1.00 53.01 H new ATOM 0 HE1 TYR A 27 8.616 -0.494 -9.379 1.00 32.31 H new ATOM 0 HE2 TYR A 27 6.492 1.228 -6.108 1.00 50.21 H new ATOM 0 HH TYR A 27 6.300 -0.364 -9.216 1.00 73.12 H new ATOM 415 N GLU A 28 12.884 1.367 -3.133 1.00 33.34 N ATOM 416 CA GLU A 28 14.118 1.244 -2.366 1.00 63.14 C ATOM 417 C GLU A 28 14.505 -0.222 -2.189 1.00 41.42 C ATOM 418 O GLU A 28 14.157 -0.851 -1.190 1.00 50.10 O ATOM 419 CB GLU A 28 13.964 1.911 -0.998 1.00 70.00 C ATOM 420 CG GLU A 28 15.264 2.008 -0.218 1.00 44.43 C ATOM 421 CD GLU A 28 15.084 2.663 1.138 1.00 40.25 C ATOM 422 OE1 GLU A 28 14.023 3.282 1.362 1.00 42.45 O ATOM 423 OE2 GLU A 28 16.005 2.556 1.975 1.00 74.33 O ATOM 0 H GLU A 28 12.033 1.234 -2.587 1.00 33.34 H new ATOM 0 HA GLU A 28 14.911 1.747 -2.920 1.00 63.14 H new ATOM 0 HB2 GLU A 28 13.557 2.913 -1.135 1.00 70.00 H new ATOM 0 HB3 GLU A 28 13.238 1.350 -0.409 1.00 70.00 H new ATOM 0 HG2 GLU A 28 15.677 1.009 -0.082 1.00 44.43 H new ATOM 0 HG3 GLU A 28 15.990 2.577 -0.799 1.00 44.43 H new ATOM 430 N VAL A 29 15.227 -0.759 -3.167 1.00 63.42 N ATOM 431 CA VAL A 29 15.662 -2.150 -3.120 1.00 64.13 C ATOM 432 C VAL A 29 17.092 -2.262 -2.602 1.00 13.43 C ATOM 433 O VAL A 29 17.937 -1.414 -2.890 1.00 1.41 O ATOM 434 CB VAL A 29 15.579 -2.812 -4.509 1.00 13.52 C ATOM 435 CG1 VAL A 29 16.354 -2.000 -5.535 1.00 4.42 C ATOM 436 CG2 VAL A 29 16.093 -4.242 -4.449 1.00 42.20 C ATOM 0 H VAL A 29 15.523 -0.252 -4.001 1.00 63.42 H new ATOM 0 HA VAL A 29 14.989 -2.668 -2.437 1.00 64.13 H new ATOM 0 HB VAL A 29 14.534 -2.839 -4.818 1.00 13.52 H new ATOM 0 HG11 VAL A 29 16.284 -2.483 -6.510 1.00 4.42 H new ATOM 0 HG12 VAL A 29 15.934 -0.996 -5.597 1.00 4.42 H new ATOM 0 HG13 VAL A 29 17.400 -1.938 -5.235 1.00 4.42 H new ATOM 0 HG21 VAL A 29 16.027 -4.694 -5.439 1.00 42.20 H new ATOM 0 HG22 VAL A 29 17.132 -4.242 -4.119 1.00 42.20 H new ATOM 0 HG23 VAL A 29 15.489 -4.817 -3.747 1.00 42.20 H new ATOM 446 N THR A 30 17.357 -3.314 -1.834 1.00 73.43 N ATOM 447 CA THR A 30 18.684 -3.537 -1.274 1.00 74.44 C ATOM 448 C THR A 30 19.117 -4.988 -1.449 1.00 23.32 C ATOM 449 O THR A 30 18.312 -5.909 -1.309 1.00 53.34 O ATOM 450 CB THR A 30 18.730 -3.176 0.222 1.00 33.13 C ATOM 451 OG1 THR A 30 18.398 -1.795 0.403 1.00 0.13 O ATOM 452 CG2 THR A 30 20.108 -3.452 0.803 1.00 23.24 C ATOM 0 H THR A 30 16.670 -4.025 -1.585 1.00 73.43 H new ATOM 0 HA THR A 30 19.370 -2.888 -1.818 1.00 74.44 H new ATOM 0 HB THR A 30 18.002 -3.796 0.745 1.00 33.13 H new ATOM 0 HG1 THR A 30 18.428 -1.574 1.357 1.00 0.13 H new ATOM 0 HG21 THR A 30 20.116 -3.189 1.861 1.00 23.24 H new ATOM 0 HG22 THR A 30 20.345 -4.510 0.690 1.00 23.24 H new ATOM 0 HG23 THR A 30 20.852 -2.855 0.275 1.00 23.24 H new ATOM 460 N VAL A 31 20.396 -5.186 -1.754 1.00 72.42 N ATOM 461 CA VAL A 31 20.937 -6.527 -1.946 1.00 2.51 C ATOM 462 C VAL A 31 21.674 -7.005 -0.700 1.00 33.22 C ATOM 463 O VAL A 31 22.393 -6.239 -0.059 1.00 32.41 O ATOM 464 CB VAL A 31 21.899 -6.577 -3.148 1.00 53.31 C ATOM 465 CG1 VAL A 31 21.167 -6.218 -4.433 1.00 2.15 C ATOM 466 CG2 VAL A 31 23.083 -5.649 -2.922 1.00 54.40 C ATOM 0 H VAL A 31 21.076 -4.435 -1.873 1.00 72.42 H new ATOM 0 HA VAL A 31 20.090 -7.186 -2.140 1.00 2.51 H new ATOM 0 HB VAL A 31 22.278 -7.594 -3.246 1.00 53.31 H new ATOM 0 HG11 VAL A 31 21.862 -6.259 -5.271 1.00 2.15 H new ATOM 0 HG12 VAL A 31 20.356 -6.927 -4.600 1.00 2.15 H new ATOM 0 HG13 VAL A 31 20.758 -5.211 -4.349 1.00 2.15 H new ATOM 0 HG21 VAL A 31 23.752 -5.697 -3.781 1.00 54.40 H new ATOM 0 HG22 VAL A 31 22.726 -4.627 -2.797 1.00 54.40 H new ATOM 0 HG23 VAL A 31 23.621 -5.957 -2.025 1.00 54.40 H new ATOM 476 N ALA A 32 21.489 -8.277 -0.362 1.00 64.33 N ATOM 477 CA ALA A 32 22.138 -8.859 0.806 1.00 63.51 C ATOM 478 C ALA A 32 23.405 -9.612 0.412 1.00 32.13 C ATOM 479 O ALA A 32 23.761 -9.673 -0.764 1.00 24.41 O ATOM 480 CB ALA A 32 21.177 -9.785 1.537 1.00 64.42 C ATOM 0 H ALA A 32 20.895 -8.924 -0.881 1.00 64.33 H new ATOM 0 HA ALA A 32 22.423 -8.047 1.475 1.00 63.51 H new ATOM 0 HB1 ALA A 32 21.675 -10.213 2.407 1.00 64.42 H new ATOM 0 HB2 ALA A 32 20.303 -9.220 1.860 1.00 64.42 H new ATOM 0 HB3 ALA A 32 20.864 -10.586 0.868 1.00 64.42 H new ATOM 486 N ALA A 33 24.081 -10.183 1.404 1.00 13.20 N ATOM 487 CA ALA A 33 25.307 -10.932 1.161 1.00 71.54 C ATOM 488 C ALA A 33 25.012 -12.414 0.951 1.00 42.10 C ATOM 489 O ALA A 33 25.666 -13.079 0.147 1.00 53.21 O ATOM 490 CB ALA A 33 26.279 -10.744 2.316 1.00 51.01 C ATOM 0 H ALA A 33 23.800 -10.141 2.384 1.00 13.20 H new ATOM 0 HA ALA A 33 25.764 -10.546 0.250 1.00 71.54 H new ATOM 0 HB1 ALA A 33 27.190 -11.309 2.120 1.00 51.01 H new ATOM 0 HB2 ALA A 33 26.523 -9.687 2.418 1.00 51.01 H new ATOM 0 HB3 ALA A 33 25.821 -11.101 3.239 1.00 51.01 H new ATOM 496 N ASP A 34 24.026 -12.925 1.679 1.00 13.23 N ATOM 497 CA ASP A 34 23.644 -14.328 1.573 1.00 63.33 C ATOM 498 C ASP A 34 22.153 -14.508 1.839 1.00 51.25 C ATOM 499 O ASP A 34 21.516 -13.657 2.458 1.00 55.14 O ATOM 500 CB ASP A 34 24.456 -15.175 2.554 1.00 34.34 C ATOM 501 CG ASP A 34 25.947 -15.093 2.295 1.00 70.34 C ATOM 502 OD1 ASP A 34 26.637 -14.354 3.027 1.00 55.41 O ATOM 503 OD2 ASP A 34 26.425 -15.768 1.358 1.00 35.34 O ATOM 0 H ASP A 34 23.476 -12.388 2.350 1.00 13.23 H new ATOM 0 HA ASP A 34 23.855 -14.660 0.557 1.00 63.33 H new ATOM 0 HB2 ASP A 34 24.249 -14.845 3.572 1.00 34.34 H new ATOM 0 HB3 ASP A 34 24.135 -16.214 2.484 1.00 34.34 H new ATOM 508 N GLY A 35 21.602 -15.621 1.365 1.00 62.52 N ATOM 509 CA GLY A 35 20.190 -15.892 1.560 1.00 12.22 C ATOM 510 C GLY A 35 19.772 -15.774 3.013 1.00 44.44 C ATOM 511 O GLY A 35 18.646 -15.379 3.311 1.00 74.15 O ATOM 0 H GLY A 35 22.109 -16.340 0.849 1.00 62.52 H new ATOM 0 HA2 GLY A 35 19.603 -15.197 0.959 1.00 12.22 H new ATOM 0 HA3 GLY A 35 19.963 -16.895 1.200 1.00 12.22 H new ATOM 515 N GLU A 36 20.683 -16.118 3.918 1.00 13.33 N ATOM 516 CA GLU A 36 20.401 -16.050 5.347 1.00 31.24 C ATOM 517 C GLU A 36 20.398 -14.604 5.834 1.00 55.35 C ATOM 518 O GLU A 36 19.500 -14.185 6.564 1.00 73.33 O ATOM 519 CB GLU A 36 21.434 -16.861 6.132 1.00 20.15 C ATOM 520 CG GLU A 36 21.343 -16.669 7.637 1.00 71.20 C ATOM 521 CD GLU A 36 21.992 -17.801 8.410 1.00 75.22 C ATOM 522 OE1 GLU A 36 21.535 -18.090 9.535 1.00 12.15 O ATOM 523 OE2 GLU A 36 22.956 -18.398 7.888 1.00 63.51 O ATOM 0 H GLU A 36 21.621 -16.446 3.687 1.00 13.33 H new ATOM 0 HA GLU A 36 19.411 -16.474 5.516 1.00 31.24 H new ATOM 0 HB2 GLU A 36 21.305 -17.918 5.901 1.00 20.15 H new ATOM 0 HB3 GLU A 36 22.433 -16.581 5.798 1.00 20.15 H new ATOM 0 HG2 GLU A 36 21.821 -15.728 7.909 1.00 71.20 H new ATOM 0 HG3 GLU A 36 20.295 -16.590 7.927 1.00 71.20 H new ATOM 530 N ALA A 37 21.409 -13.845 5.423 1.00 31.41 N ATOM 531 CA ALA A 37 21.522 -12.446 5.815 1.00 44.02 C ATOM 532 C ALA A 37 20.312 -11.645 5.348 1.00 73.22 C ATOM 533 O ALA A 37 19.863 -10.725 6.030 1.00 34.55 O ATOM 534 CB ALA A 37 22.803 -11.844 5.256 1.00 3.13 C ATOM 0 H ALA A 37 22.161 -14.176 4.819 1.00 31.41 H new ATOM 0 HA ALA A 37 21.556 -12.401 6.904 1.00 44.02 H new ATOM 0 HB1 ALA A 37 22.875 -10.799 5.556 1.00 3.13 H new ATOM 0 HB2 ALA A 37 23.662 -12.393 5.643 1.00 3.13 H new ATOM 0 HB3 ALA A 37 22.791 -11.909 4.168 1.00 3.13 H new ATOM 540 N GLY A 38 19.787 -12.001 4.179 1.00 45.13 N ATOM 541 CA GLY A 38 18.634 -11.304 3.640 1.00 32.33 C ATOM 542 C GLY A 38 17.358 -11.630 4.390 1.00 34.25 C ATOM 543 O GLY A 38 16.630 -10.731 4.813 1.00 62.13 O ATOM 0 H GLY A 38 20.140 -12.760 3.596 1.00 45.13 H new ATOM 0 HA2 GLY A 38 18.811 -10.229 3.680 1.00 32.33 H new ATOM 0 HA3 GLY A 38 18.512 -11.568 2.589 1.00 32.33 H new ATOM 547 N PHE A 39 17.083 -12.920 4.556 1.00 43.01 N ATOM 548 CA PHE A 39 15.884 -13.363 5.258 1.00 43.40 C ATOM 549 C PHE A 39 15.928 -12.946 6.725 1.00 22.02 C ATOM 550 O PHE A 39 14.972 -12.372 7.248 1.00 62.44 O ATOM 551 CB PHE A 39 15.737 -14.882 5.152 1.00 40.13 C ATOM 552 CG PHE A 39 14.872 -15.322 4.005 1.00 13.44 C ATOM 553 CD1 PHE A 39 13.573 -14.856 3.883 1.00 54.25 C ATOM 554 CD2 PHE A 39 15.358 -16.200 3.051 1.00 74.14 C ATOM 555 CE1 PHE A 39 12.774 -15.259 2.829 1.00 21.51 C ATOM 556 CE2 PHE A 39 14.564 -16.607 1.995 1.00 71.04 C ATOM 557 CZ PHE A 39 13.271 -16.135 1.883 1.00 33.14 C ATOM 0 H PHE A 39 17.675 -13.677 4.214 1.00 43.01 H new ATOM 0 HA PHE A 39 15.022 -12.888 4.789 1.00 43.40 H new ATOM 0 HB2 PHE A 39 16.726 -15.328 5.043 1.00 40.13 H new ATOM 0 HB3 PHE A 39 15.316 -15.264 6.082 1.00 40.13 H new ATOM 0 HD1 PHE A 39 13.180 -14.170 4.619 1.00 54.25 H new ATOM 0 HD2 PHE A 39 16.369 -16.571 3.133 1.00 74.14 H new ATOM 0 HE1 PHE A 39 11.763 -14.890 2.745 1.00 21.51 H new ATOM 0 HE2 PHE A 39 14.955 -17.293 1.258 1.00 71.04 H new ATOM 0 HZ PHE A 39 12.650 -16.450 1.058 1.00 33.14 H new ATOM 567 N ASP A 40 17.044 -13.239 7.384 1.00 32.30 N ATOM 568 CA ASP A 40 17.214 -12.895 8.791 1.00 72.41 C ATOM 569 C ASP A 40 16.913 -11.419 9.030 1.00 74.13 C ATOM 570 O ASP A 40 16.253 -11.059 10.006 1.00 41.02 O ATOM 571 CB ASP A 40 18.637 -13.219 9.249 1.00 51.23 C ATOM 572 CG ASP A 40 18.840 -14.699 9.506 1.00 61.04 C ATOM 573 OD1 ASP A 40 17.882 -15.474 9.302 1.00 50.02 O ATOM 574 OD2 ASP A 40 19.957 -15.083 9.910 1.00 45.33 O ATOM 0 H ASP A 40 17.844 -13.714 6.966 1.00 32.30 H new ATOM 0 HA ASP A 40 16.509 -13.490 9.372 1.00 72.41 H new ATOM 0 HB2 ASP A 40 19.345 -12.885 8.490 1.00 51.23 H new ATOM 0 HB3 ASP A 40 18.858 -12.662 10.159 1.00 51.23 H new ATOM 579 N LEU A 41 17.400 -10.569 8.133 1.00 4.34 N ATOM 580 CA LEU A 41 17.184 -9.130 8.247 1.00 64.33 C ATOM 581 C LEU A 41 15.769 -8.757 7.818 1.00 41.20 C ATOM 582 O LEU A 41 15.163 -7.841 8.373 1.00 21.04 O ATOM 583 CB LEU A 41 18.204 -8.373 7.394 1.00 3.15 C ATOM 584 CG LEU A 41 19.662 -8.470 7.847 1.00 34.41 C ATOM 585 CD1 LEU A 41 20.591 -7.926 6.774 1.00 4.40 C ATOM 586 CD2 LEU A 41 19.864 -7.726 9.159 1.00 54.43 C ATOM 0 H LEU A 41 17.947 -10.850 7.319 1.00 4.34 H new ATOM 0 HA LEU A 41 17.313 -8.849 9.292 1.00 64.33 H new ATOM 0 HB2 LEU A 41 18.137 -8.742 6.371 1.00 3.15 H new ATOM 0 HB3 LEU A 41 17.920 -7.321 7.373 1.00 3.15 H new ATOM 0 HG LEU A 41 19.903 -9.521 8.008 1.00 34.41 H new ATOM 0 HD11 LEU A 41 21.624 -8.003 7.114 1.00 4.40 H new ATOM 0 HD12 LEU A 41 20.466 -8.503 5.858 1.00 4.40 H new ATOM 0 HD13 LEU A 41 20.350 -6.881 6.580 1.00 4.40 H new ATOM 0 HD21 LEU A 41 20.907 -7.806 9.466 1.00 54.43 H new ATOM 0 HD22 LEU A 41 19.604 -6.676 9.025 1.00 54.43 H new ATOM 0 HD23 LEU A 41 19.225 -8.163 9.927 1.00 54.43 H new ATOM 598 N ALA A 42 15.248 -9.474 6.828 1.00 54.32 N ATOM 599 CA ALA A 42 13.902 -9.220 6.328 1.00 61.43 C ATOM 600 C ALA A 42 12.878 -9.271 7.457 1.00 62.24 C ATOM 601 O ALA A 42 11.818 -8.652 7.374 1.00 1.31 O ATOM 602 CB ALA A 42 13.545 -10.225 5.243 1.00 75.24 C ATOM 0 H ALA A 42 15.737 -10.235 6.356 1.00 54.32 H new ATOM 0 HA ALA A 42 13.882 -8.217 5.901 1.00 61.43 H new ATOM 0 HB1 ALA A 42 12.538 -10.024 4.878 1.00 75.24 H new ATOM 0 HB2 ALA A 42 14.253 -10.138 4.419 1.00 75.24 H new ATOM 0 HB3 ALA A 42 13.588 -11.234 5.653 1.00 75.24 H new ATOM 608 N ALA A 43 13.202 -10.014 8.510 1.00 2.31 N ATOM 609 CA ALA A 43 12.311 -10.144 9.656 1.00 31.01 C ATOM 610 C ALA A 43 12.502 -8.990 10.634 1.00 12.21 C ATOM 611 O ALA A 43 11.573 -8.603 11.344 1.00 54.44 O ATOM 612 CB ALA A 43 12.542 -11.475 10.356 1.00 62.11 C ATOM 0 H ALA A 43 14.075 -10.535 8.593 1.00 2.31 H new ATOM 0 HA ALA A 43 11.284 -10.111 9.292 1.00 31.01 H new ATOM 0 HB1 ALA A 43 11.870 -11.558 11.210 1.00 62.11 H new ATOM 0 HB2 ALA A 43 12.347 -12.291 9.660 1.00 62.11 H new ATOM 0 HB3 ALA A 43 13.575 -11.531 10.700 1.00 62.11 H new ATOM 618 N THR A 44 13.713 -8.443 10.668 1.00 42.10 N ATOM 619 CA THR A 44 14.027 -7.334 11.560 1.00 35.14 C ATOM 620 C THR A 44 13.640 -5.999 10.935 1.00 12.21 C ATOM 621 O THR A 44 13.336 -5.036 11.640 1.00 51.43 O ATOM 622 CB THR A 44 15.525 -7.306 11.917 1.00 33.32 C ATOM 623 OG1 THR A 44 15.694 -6.944 13.292 1.00 22.32 O ATOM 624 CG2 THR A 44 16.274 -6.321 11.032 1.00 34.32 C ATOM 0 H THR A 44 14.493 -8.750 10.087 1.00 42.10 H new ATOM 0 HA THR A 44 13.447 -7.487 12.470 1.00 35.14 H new ATOM 0 HB THR A 44 15.934 -8.303 11.751 1.00 33.32 H new ATOM 0 HG1 THR A 44 16.649 -6.930 13.512 1.00 22.32 H new ATOM 0 HG21 THR A 44 17.330 -6.319 11.303 1.00 34.32 H new ATOM 0 HG22 THR A 44 16.168 -6.616 9.988 1.00 34.32 H new ATOM 0 HG23 THR A 44 15.862 -5.321 11.170 1.00 34.32 H new ATOM 632 N THR A 45 13.652 -5.947 9.607 1.00 43.14 N ATOM 633 CA THR A 45 13.303 -4.729 8.886 1.00 23.11 C ATOM 634 C THR A 45 11.882 -4.801 8.341 1.00 74.22 C ATOM 635 O THR A 45 11.166 -3.800 8.313 1.00 60.42 O ATOM 636 CB THR A 45 14.275 -4.468 7.720 1.00 25.01 C ATOM 637 OG1 THR A 45 15.522 -3.975 8.223 1.00 42.20 O ATOM 638 CG2 THR A 45 13.687 -3.466 6.739 1.00 74.04 C ATOM 0 H THR A 45 13.900 -6.735 9.008 1.00 43.14 H new ATOM 0 HA THR A 45 13.375 -3.908 9.600 1.00 23.11 H new ATOM 0 HB THR A 45 14.441 -5.410 7.197 1.00 25.01 H new ATOM 0 HG1 THR A 45 16.135 -3.813 7.476 1.00 42.20 H new ATOM 0 HG21 THR A 45 14.392 -3.298 5.924 1.00 74.04 H new ATOM 0 HG22 THR A 45 12.753 -3.857 6.336 1.00 74.04 H new ATOM 0 HG23 THR A 45 13.495 -2.524 7.253 1.00 74.04 H new ATOM 646 N ALA A 46 11.478 -5.992 7.909 1.00 41.51 N ATOM 647 CA ALA A 46 10.140 -6.194 7.367 1.00 62.20 C ATOM 648 C ALA A 46 9.939 -5.392 6.086 1.00 44.11 C ATOM 649 O ALA A 46 9.218 -4.394 6.073 1.00 4.15 O ATOM 650 CB ALA A 46 9.089 -5.815 8.400 1.00 43.12 C ATOM 0 H ALA A 46 12.058 -6.831 7.924 1.00 41.51 H new ATOM 0 HA ALA A 46 10.030 -7.251 7.124 1.00 62.20 H new ATOM 0 HB1 ALA A 46 8.095 -5.971 7.981 1.00 43.12 H new ATOM 0 HB2 ALA A 46 9.211 -6.436 9.288 1.00 43.12 H new ATOM 0 HB3 ALA A 46 9.208 -4.766 8.672 1.00 43.12 H new ATOM 656 N TYR A 47 10.582 -5.833 5.010 1.00 33.42 N ATOM 657 CA TYR A 47 10.476 -5.154 3.724 1.00 31.04 C ATOM 658 C TYR A 47 9.122 -5.424 3.075 1.00 30.23 C ATOM 659 O TYR A 47 8.338 -6.237 3.564 1.00 35.35 O ATOM 660 CB TYR A 47 11.601 -5.606 2.791 1.00 14.33 C ATOM 661 CG TYR A 47 12.981 -5.226 3.278 1.00 32.35 C ATOM 662 CD1 TYR A 47 13.649 -6.009 4.212 1.00 43.04 C ATOM 663 CD2 TYR A 47 13.617 -4.085 2.805 1.00 73.34 C ATOM 664 CE1 TYR A 47 14.910 -5.666 4.660 1.00 11.50 C ATOM 665 CE2 TYR A 47 14.878 -3.735 3.246 1.00 11.13 C ATOM 666 CZ TYR A 47 15.520 -4.528 4.174 1.00 1.13 C ATOM 667 OH TYR A 47 16.776 -4.183 4.617 1.00 25.24 O ATOM 0 H TYR A 47 11.182 -6.658 5.003 1.00 33.42 H new ATOM 0 HA TYR A 47 10.567 -4.082 3.899 1.00 31.04 H new ATOM 0 HB2 TYR A 47 11.552 -6.689 2.674 1.00 14.33 H new ATOM 0 HB3 TYR A 47 11.440 -5.171 1.805 1.00 14.33 H new ATOM 0 HD1 TYR A 47 13.174 -6.901 4.594 1.00 43.04 H new ATOM 0 HD2 TYR A 47 13.116 -3.461 2.080 1.00 73.34 H new ATOM 0 HE1 TYR A 47 15.415 -6.285 5.386 1.00 11.50 H new ATOM 0 HE2 TYR A 47 15.359 -2.845 2.866 1.00 11.13 H new ATOM 0 HH TYR A 47 17.063 -3.356 4.176 1.00 25.24 H new ATOM 677 N ASP A 48 8.856 -4.737 1.970 1.00 15.33 N ATOM 678 CA ASP A 48 7.598 -4.902 1.251 1.00 34.43 C ATOM 679 C ASP A 48 7.660 -6.108 0.318 1.00 13.42 C ATOM 680 O ASP A 48 6.665 -6.807 0.123 1.00 31.33 O ATOM 681 CB ASP A 48 7.272 -3.639 0.452 1.00 30.45 C ATOM 682 CG ASP A 48 5.814 -3.241 0.568 1.00 32.20 C ATOM 683 OD1 ASP A 48 4.957 -3.954 0.003 1.00 2.35 O ATOM 684 OD2 ASP A 48 5.529 -2.217 1.224 1.00 71.52 O ATOM 0 H ASP A 48 9.495 -4.060 1.552 1.00 15.33 H new ATOM 0 HA ASP A 48 6.809 -5.072 1.984 1.00 34.43 H new ATOM 0 HB2 ASP A 48 7.898 -2.819 0.803 1.00 30.45 H new ATOM 0 HB3 ASP A 48 7.519 -3.802 -0.597 1.00 30.45 H new ATOM 689 N LEU A 49 8.834 -6.344 -0.257 1.00 55.12 N ATOM 690 CA LEU A 49 9.026 -7.464 -1.171 1.00 73.34 C ATOM 691 C LEU A 49 10.395 -8.105 -0.968 1.00 10.34 C ATOM 692 O LEU A 49 11.415 -7.416 -0.932 1.00 70.30 O ATOM 693 CB LEU A 49 8.879 -6.997 -2.620 1.00 44.55 C ATOM 694 CG LEU A 49 8.336 -8.030 -3.608 1.00 25.21 C ATOM 695 CD1 LEU A 49 8.190 -7.420 -4.993 1.00 11.30 C ATOM 696 CD2 LEU A 49 9.244 -9.251 -3.654 1.00 74.14 C ATOM 0 H LEU A 49 9.667 -5.775 -0.106 1.00 55.12 H new ATOM 0 HA LEU A 49 8.261 -8.210 -0.957 1.00 73.34 H new ATOM 0 HB2 LEU A 49 8.221 -6.128 -2.635 1.00 44.55 H new ATOM 0 HB3 LEU A 49 9.855 -6.664 -2.974 1.00 44.55 H new ATOM 0 HG LEU A 49 7.350 -8.347 -3.268 1.00 25.21 H new ATOM 0 HD11 LEU A 49 7.802 -8.170 -5.682 1.00 11.30 H new ATOM 0 HD12 LEU A 49 7.500 -6.577 -4.949 1.00 11.30 H new ATOM 0 HD13 LEU A 49 9.163 -7.074 -5.343 1.00 11.30 H new ATOM 0 HD21 LEU A 49 8.843 -9.976 -4.362 1.00 74.14 H new ATOM 0 HD22 LEU A 49 10.243 -8.950 -3.970 1.00 74.14 H new ATOM 0 HD23 LEU A 49 9.297 -9.702 -2.663 1.00 74.14 H new ATOM 708 N VAL A 50 10.410 -9.427 -0.836 1.00 63.41 N ATOM 709 CA VAL A 50 11.654 -10.162 -0.639 1.00 44.24 C ATOM 710 C VAL A 50 11.988 -11.015 -1.858 1.00 53.22 C ATOM 711 O VAL A 50 11.094 -11.493 -2.559 1.00 1.45 O ATOM 712 CB VAL A 50 11.580 -11.068 0.603 1.00 24.55 C ATOM 713 CG1 VAL A 50 12.939 -11.689 0.893 1.00 35.24 C ATOM 714 CG2 VAL A 50 11.076 -10.284 1.805 1.00 30.24 C ATOM 0 H VAL A 50 9.575 -10.012 -0.862 1.00 63.41 H new ATOM 0 HA VAL A 50 12.439 -9.421 -0.492 1.00 44.24 H new ATOM 0 HB VAL A 50 10.874 -11.874 0.402 1.00 24.55 H new ATOM 0 HG11 VAL A 50 12.867 -12.326 1.774 1.00 35.24 H new ATOM 0 HG12 VAL A 50 13.256 -12.286 0.038 1.00 35.24 H new ATOM 0 HG13 VAL A 50 13.668 -10.900 1.074 1.00 35.24 H new ATOM 0 HG21 VAL A 50 11.030 -10.940 2.674 1.00 30.24 H new ATOM 0 HG22 VAL A 50 11.755 -9.457 2.011 1.00 30.24 H new ATOM 0 HG23 VAL A 50 10.081 -9.893 1.593 1.00 30.24 H new ATOM 724 N LEU A 51 13.279 -11.203 -2.106 1.00 61.12 N ATOM 725 CA LEU A 51 13.732 -12.000 -3.241 1.00 51.02 C ATOM 726 C LEU A 51 14.924 -12.870 -2.855 1.00 11.32 C ATOM 727 O LEU A 51 15.973 -12.363 -2.456 1.00 63.23 O ATOM 728 CB LEU A 51 14.108 -11.089 -4.411 1.00 64.31 C ATOM 729 CG LEU A 51 13.175 -11.131 -5.622 1.00 10.15 C ATOM 730 CD1 LEU A 51 13.105 -12.538 -6.194 1.00 24.22 C ATOM 731 CD2 LEU A 51 11.786 -10.639 -5.241 1.00 42.42 C ATOM 0 H LEU A 51 14.031 -10.815 -1.537 1.00 61.12 H new ATOM 0 HA LEU A 51 12.914 -12.653 -3.545 1.00 51.02 H new ATOM 0 HB2 LEU A 51 14.152 -10.063 -4.047 1.00 64.31 H new ATOM 0 HB3 LEU A 51 15.112 -11.353 -4.742 1.00 64.31 H new ATOM 0 HG LEU A 51 13.577 -10.469 -6.389 1.00 10.15 H new ATOM 0 HD11 LEU A 51 12.436 -12.548 -7.055 1.00 24.22 H new ATOM 0 HD12 LEU A 51 14.101 -12.855 -6.504 1.00 24.22 H new ATOM 0 HD13 LEU A 51 12.727 -13.222 -5.434 1.00 24.22 H new ATOM 0 HD21 LEU A 51 11.135 -10.675 -6.114 1.00 42.42 H new ATOM 0 HD22 LEU A 51 11.377 -11.276 -4.457 1.00 42.42 H new ATOM 0 HD23 LEU A 51 11.850 -9.613 -4.879 1.00 42.42 H new ATOM 743 N THR A 52 14.756 -14.183 -2.977 1.00 43.13 N ATOM 744 CA THR A 52 15.818 -15.123 -2.642 1.00 70.42 C ATOM 745 C THR A 52 16.105 -16.066 -3.806 1.00 3.53 C ATOM 746 O THR A 52 15.221 -16.364 -4.608 1.00 51.45 O ATOM 747 CB THR A 52 15.458 -15.957 -1.398 1.00 72.32 C ATOM 748 OG1 THR A 52 16.432 -16.987 -1.200 1.00 25.41 O ATOM 749 CG2 THR A 52 14.077 -16.580 -1.545 1.00 5.30 C ATOM 0 H THR A 52 13.894 -14.619 -3.305 1.00 43.13 H new ATOM 0 HA THR A 52 16.708 -14.531 -2.429 1.00 70.42 H new ATOM 0 HB THR A 52 15.450 -15.294 -0.533 1.00 72.32 H new ATOM 0 HG1 THR A 52 16.197 -17.511 -0.406 1.00 25.41 H new ATOM 0 HG21 THR A 52 13.845 -17.164 -0.655 1.00 5.30 H new ATOM 0 HG22 THR A 52 13.334 -15.792 -1.666 1.00 5.30 H new ATOM 0 HG23 THR A 52 14.062 -17.230 -2.420 1.00 5.30 H new ATOM 757 N ASP A 53 17.346 -16.532 -3.891 1.00 4.34 N ATOM 758 CA ASP A 53 17.750 -17.442 -4.956 1.00 31.33 C ATOM 759 C ASP A 53 18.404 -18.695 -4.381 1.00 43.21 C ATOM 760 O ASP A 53 18.171 -19.804 -4.861 1.00 13.31 O ATOM 761 CB ASP A 53 18.714 -16.743 -5.916 1.00 34.12 C ATOM 762 CG ASP A 53 20.040 -16.407 -5.262 1.00 54.23 C ATOM 763 OD1 ASP A 53 20.029 -15.933 -4.106 1.00 74.54 O ATOM 764 OD2 ASP A 53 21.088 -16.618 -5.906 1.00 43.12 O ATOM 0 H ASP A 53 18.090 -16.294 -3.235 1.00 4.34 H new ATOM 0 HA ASP A 53 16.856 -17.739 -5.504 1.00 31.33 H new ATOM 0 HB2 ASP A 53 18.890 -17.384 -6.780 1.00 34.12 H new ATOM 0 HB3 ASP A 53 18.253 -15.828 -6.287 1.00 34.12 H new ATOM 895 N LEU A 62 16.757 -19.739 5.582 1.00 44.12 N ATOM 896 CA LEU A 62 15.503 -19.894 4.853 1.00 44.43 C ATOM 897 C LEU A 62 14.388 -20.365 5.781 1.00 44.22 C ATOM 898 O LEU A 62 13.233 -19.972 5.627 1.00 54.24 O ATOM 899 CB LEU A 62 15.679 -20.887 3.702 1.00 14.53 C ATOM 900 CG LEU A 62 16.129 -20.294 2.367 1.00 41.43 C ATOM 901 CD1 LEU A 62 17.369 -19.433 2.556 1.00 72.24 C ATOM 902 CD2 LEU A 62 16.394 -21.399 1.355 1.00 51.12 C ATOM 0 HA LEU A 62 15.225 -18.922 4.446 1.00 44.43 H new ATOM 0 HB2 LEU A 62 16.406 -21.640 4.006 1.00 14.53 H new ATOM 0 HB3 LEU A 62 14.732 -21.404 3.546 1.00 14.53 H new ATOM 0 HG LEU A 62 15.328 -19.662 1.984 1.00 41.43 H new ATOM 0 HD11 LEU A 62 17.675 -19.019 1.595 1.00 72.24 H new ATOM 0 HD12 LEU A 62 17.145 -18.620 3.246 1.00 72.24 H new ATOM 0 HD13 LEU A 62 18.176 -20.042 2.962 1.00 72.24 H new ATOM 0 HD21 LEU A 62 16.713 -20.958 0.411 1.00 51.12 H new ATOM 0 HD22 LEU A 62 17.177 -22.057 1.732 1.00 51.12 H new ATOM 0 HD23 LEU A 62 15.482 -21.974 1.197 1.00 51.12 H new ATOM 914 N GLU A 63 14.745 -21.207 6.745 1.00 34.53 N ATOM 915 CA GLU A 63 13.773 -21.731 7.699 1.00 45.40 C ATOM 916 C GLU A 63 12.965 -20.599 8.328 1.00 22.42 C ATOM 917 O GLU A 63 11.797 -20.775 8.677 1.00 21.21 O ATOM 918 CB GLU A 63 14.481 -22.536 8.791 1.00 13.42 C ATOM 919 CG GLU A 63 15.206 -21.673 9.810 1.00 13.24 C ATOM 920 CD GLU A 63 14.362 -21.386 11.037 1.00 1.23 C ATOM 921 OE1 GLU A 63 13.570 -22.268 11.431 1.00 2.54 O ATOM 922 OE2 GLU A 63 14.493 -20.280 11.603 1.00 64.40 O ATOM 0 H GLU A 63 15.698 -21.541 6.887 1.00 34.53 H new ATOM 0 HA GLU A 63 13.089 -22.387 7.160 1.00 45.40 H new ATOM 0 HB2 GLU A 63 13.747 -23.155 9.308 1.00 13.42 H new ATOM 0 HB3 GLU A 63 15.197 -23.213 8.325 1.00 13.42 H new ATOM 0 HG2 GLU A 63 16.126 -22.172 10.115 1.00 13.24 H new ATOM 0 HG3 GLU A 63 15.494 -20.731 9.343 1.00 13.24 H new ATOM 929 N LEU A 64 13.595 -19.439 8.471 1.00 42.44 N ATOM 930 CA LEU A 64 12.936 -18.277 9.058 1.00 20.43 C ATOM 931 C LEU A 64 11.589 -18.020 8.390 1.00 0.05 C ATOM 932 O LEU A 64 10.645 -17.559 9.033 1.00 40.34 O ATOM 933 CB LEU A 64 13.827 -17.041 8.929 1.00 51.32 C ATOM 934 CG LEU A 64 14.608 -16.642 10.182 1.00 52.05 C ATOM 935 CD1 LEU A 64 13.656 -16.275 11.310 1.00 41.15 C ATOM 936 CD2 LEU A 64 15.538 -17.767 10.611 1.00 71.21 C ATOM 0 H LEU A 64 14.562 -19.277 8.189 1.00 42.44 H new ATOM 0 HA LEU A 64 12.763 -18.483 10.114 1.00 20.43 H new ATOM 0 HB2 LEU A 64 14.538 -17.214 8.121 1.00 51.32 H new ATOM 0 HB3 LEU A 64 13.204 -16.198 8.630 1.00 51.32 H new ATOM 0 HG LEU A 64 15.214 -15.767 9.946 1.00 52.05 H new ATOM 0 HD11 LEU A 64 14.230 -15.994 12.193 1.00 41.15 H new ATOM 0 HD12 LEU A 64 13.032 -15.437 11.001 1.00 41.15 H new ATOM 0 HD13 LEU A 64 13.024 -17.131 11.545 1.00 41.15 H new ATOM 0 HD21 LEU A 64 16.086 -17.466 11.504 1.00 71.21 H new ATOM 0 HD22 LEU A 64 14.952 -18.660 10.829 1.00 71.21 H new ATOM 0 HD23 LEU A 64 16.243 -17.982 9.808 1.00 71.21 H new ATOM 948 N ILE A 65 11.507 -18.323 7.099 1.00 2.14 N ATOM 949 CA ILE A 65 10.275 -18.127 6.346 1.00 72.30 C ATOM 950 C ILE A 65 9.086 -18.755 7.065 1.00 75.43 C ATOM 951 O ILE A 65 7.973 -18.230 7.021 1.00 24.55 O ATOM 952 CB ILE A 65 10.379 -18.726 4.931 1.00 42.43 C ATOM 953 CG1 ILE A 65 11.544 -18.089 4.169 1.00 74.11 C ATOM 954 CG2 ILE A 65 9.074 -18.528 4.175 1.00 73.43 C ATOM 955 CD1 ILE A 65 12.026 -18.919 3.000 1.00 42.32 C ATOM 0 H ILE A 65 12.279 -18.705 6.553 1.00 2.14 H new ATOM 0 HA ILE A 65 10.122 -17.051 6.266 1.00 72.30 H new ATOM 0 HB ILE A 65 10.567 -19.796 5.018 1.00 42.43 H new ATOM 0 HG12 ILE A 65 11.237 -17.108 3.806 1.00 74.11 H new ATOM 0 HG13 ILE A 65 12.374 -17.929 4.857 1.00 74.11 H new ATOM 0 HG21 ILE A 65 9.163 -18.957 3.177 1.00 73.43 H new ATOM 0 HG22 ILE A 65 8.264 -19.023 4.711 1.00 73.43 H new ATOM 0 HG23 ILE A 65 8.858 -17.463 4.094 1.00 73.43 H new ATOM 0 HD11 ILE A 65 12.852 -18.407 2.506 1.00 42.32 H new ATOM 0 HD12 ILE A 65 12.364 -19.891 3.359 1.00 42.32 H new ATOM 0 HD13 ILE A 65 11.210 -19.058 2.291 1.00 42.32 H new ATOM 967 N ALA A 66 9.329 -19.882 7.727 1.00 52.31 N ATOM 968 CA ALA A 66 8.279 -20.580 8.459 1.00 41.42 C ATOM 969 C ALA A 66 7.538 -19.630 9.394 1.00 22.55 C ATOM 970 O ALA A 66 6.313 -19.524 9.343 1.00 3.23 O ATOM 971 CB ALA A 66 8.867 -21.744 9.242 1.00 74.20 C ATOM 0 H ALA A 66 10.244 -20.331 7.771 1.00 52.31 H new ATOM 0 HA ALA A 66 7.562 -20.969 7.736 1.00 41.42 H new ATOM 0 HB1 ALA A 66 8.072 -22.256 9.784 1.00 74.20 H new ATOM 0 HB2 ALA A 66 9.345 -22.441 8.554 1.00 74.20 H new ATOM 0 HB3 ALA A 66 9.606 -21.370 9.950 1.00 74.20 H new ATOM 977 N ALA A 67 8.289 -18.944 10.249 1.00 2.51 N ATOM 978 CA ALA A 67 7.703 -18.002 11.195 1.00 22.45 C ATOM 979 C ALA A 67 6.960 -16.885 10.470 1.00 25.43 C ATOM 980 O ALA A 67 5.948 -16.381 10.957 1.00 12.15 O ATOM 981 CB ALA A 67 8.781 -17.422 12.099 1.00 63.21 C ATOM 0 H ALA A 67 9.304 -19.023 10.306 1.00 2.51 H new ATOM 0 HA ALA A 67 6.982 -18.543 11.808 1.00 22.45 H new ATOM 0 HB1 ALA A 67 8.329 -16.720 12.800 1.00 63.21 H new ATOM 0 HB2 ALA A 67 9.264 -18.227 12.652 1.00 63.21 H new ATOM 0 HB3 ALA A 67 9.523 -16.902 11.493 1.00 63.21 H new ATOM 987 N LEU A 68 7.470 -16.503 9.305 1.00 54.54 N ATOM 988 CA LEU A 68 6.854 -15.444 8.512 1.00 44.42 C ATOM 989 C LEU A 68 5.499 -15.886 7.970 1.00 31.43 C ATOM 990 O LEU A 68 4.575 -15.082 7.848 1.00 44.43 O ATOM 991 CB LEU A 68 7.773 -15.046 7.355 1.00 22.12 C ATOM 992 CG LEU A 68 8.898 -14.068 7.697 1.00 15.30 C ATOM 993 CD1 LEU A 68 9.971 -14.757 8.525 1.00 43.33 C ATOM 994 CD2 LEU A 68 9.496 -13.478 6.428 1.00 72.40 C ATOM 0 H LEU A 68 8.307 -16.910 8.888 1.00 54.54 H new ATOM 0 HA LEU A 68 6.701 -14.582 9.161 1.00 44.42 H new ATOM 0 HB2 LEU A 68 8.219 -15.952 6.943 1.00 22.12 H new ATOM 0 HB3 LEU A 68 7.162 -14.605 6.567 1.00 22.12 H new ATOM 0 HG LEU A 68 8.479 -13.254 8.289 1.00 15.30 H new ATOM 0 HD11 LEU A 68 10.763 -14.046 8.759 1.00 43.33 H new ATOM 0 HD12 LEU A 68 9.533 -15.129 9.451 1.00 43.33 H new ATOM 0 HD13 LEU A 68 10.387 -15.591 7.960 1.00 43.33 H new ATOM 0 HD21 LEU A 68 10.295 -12.784 6.691 1.00 72.40 H new ATOM 0 HD22 LEU A 68 9.900 -14.279 5.809 1.00 72.40 H new ATOM 0 HD23 LEU A 68 8.722 -12.947 5.874 1.00 72.40 H new ATOM 1006 N ARG A 69 5.387 -17.171 7.650 1.00 75.32 N ATOM 1007 CA ARG A 69 4.144 -17.721 7.123 1.00 75.34 C ATOM 1008 C ARG A 69 3.042 -17.685 8.178 1.00 40.31 C ATOM 1009 O ARG A 69 1.902 -17.326 7.886 1.00 52.44 O ATOM 1010 CB ARG A 69 4.359 -19.158 6.645 1.00 61.43 C ATOM 1011 CG ARG A 69 4.067 -19.359 5.167 1.00 62.04 C ATOM 1012 CD ARG A 69 2.644 -18.952 4.820 1.00 53.23 C ATOM 1013 NE ARG A 69 1.659 -19.650 5.642 1.00 51.21 N ATOM 1014 CZ ARG A 69 1.379 -20.942 5.515 1.00 21.11 C ATOM 1015 NH1 ARG A 69 2.007 -21.673 4.604 1.00 34.45 N ATOM 1016 NH2 ARG A 69 0.470 -21.506 6.301 1.00 43.43 N ATOM 0 H ARG A 69 6.142 -17.850 7.746 1.00 75.32 H new ATOM 0 HA ARG A 69 3.835 -17.106 6.278 1.00 75.34 H new ATOM 0 HB2 ARG A 69 5.390 -19.448 6.845 1.00 61.43 H new ATOM 0 HB3 ARG A 69 3.722 -19.824 7.226 1.00 61.43 H new ATOM 0 HG2 ARG A 69 4.769 -18.773 4.573 1.00 62.04 H new ATOM 0 HG3 ARG A 69 4.222 -20.405 4.903 1.00 62.04 H new ATOM 0 HD2 ARG A 69 2.532 -17.876 4.955 1.00 53.23 H new ATOM 0 HD3 ARG A 69 2.453 -19.163 3.768 1.00 53.23 H new ATOM 0 HE ARG A 69 1.159 -19.116 6.353 1.00 51.21 H new ATOM 0 HH11 ARG A 69 2.707 -21.243 3.999 1.00 34.45 H new ATOM 0 HH12 ARG A 69 1.790 -22.665 4.508 1.00 34.45 H new ATOM 0 HH21 ARG A 69 -0.014 -20.947 7.003 1.00 43.43 H new ATOM 0 HH22 ARG A 69 0.256 -22.498 6.203 1.00 43.43 H new ATOM 1030 N GLN A 70 3.392 -18.059 9.404 1.00 31.22 N ATOM 1031 CA GLN A 70 2.432 -18.070 10.502 1.00 23.20 C ATOM 1032 C GLN A 70 2.121 -16.652 10.967 1.00 2.53 C ATOM 1033 O GLN A 70 0.993 -16.348 11.357 1.00 32.01 O ATOM 1034 CB GLN A 70 2.972 -18.896 11.671 1.00 61.21 C ATOM 1035 CG GLN A 70 4.282 -18.369 12.234 1.00 20.44 C ATOM 1036 CD GLN A 70 4.755 -19.154 13.443 1.00 51.45 C ATOM 1037 OE1 GLN A 70 4.687 -18.673 14.574 1.00 30.23 O ATOM 1038 NE2 GLN A 70 5.238 -20.368 13.208 1.00 32.23 N ATOM 0 H GLN A 70 4.332 -18.358 9.662 1.00 31.22 H new ATOM 0 HA GLN A 70 1.510 -18.525 10.140 1.00 23.20 H new ATOM 0 HB2 GLN A 70 2.226 -18.916 12.466 1.00 61.21 H new ATOM 0 HB3 GLN A 70 3.115 -19.925 11.342 1.00 61.21 H new ATOM 0 HG2 GLN A 70 5.047 -18.406 11.459 1.00 20.44 H new ATOM 0 HG3 GLN A 70 4.159 -17.322 12.511 1.00 20.44 H new ATOM 0 HE21 GLN A 70 5.275 -20.726 12.254 1.00 32.23 H new ATOM 0 HE22 GLN A 70 5.572 -20.943 13.982 1.00 32.23 H new ATOM 1047 N LEU A 71 3.128 -15.786 10.924 1.00 21.15 N ATOM 1048 CA LEU A 71 2.962 -14.398 11.342 1.00 25.21 C ATOM 1049 C LEU A 71 2.069 -13.639 10.367 1.00 52.04 C ATOM 1050 O LEU A 71 2.072 -13.910 9.166 1.00 65.31 O ATOM 1051 CB LEU A 71 4.325 -13.710 11.445 1.00 13.11 C ATOM 1052 CG LEU A 71 5.088 -13.925 12.752 1.00 2.13 C ATOM 1053 CD1 LEU A 71 6.584 -14.002 12.490 1.00 22.32 C ATOM 1054 CD2 LEU A 71 4.775 -12.812 13.742 1.00 21.20 C ATOM 0 H LEU A 71 4.068 -16.020 10.604 1.00 21.15 H new ATOM 0 HA LEU A 71 2.484 -14.394 12.322 1.00 25.21 H new ATOM 0 HB2 LEU A 71 4.949 -14.059 10.622 1.00 13.11 H new ATOM 0 HB3 LEU A 71 4.181 -12.639 11.304 1.00 13.11 H new ATOM 0 HG LEU A 71 4.766 -14.872 13.186 1.00 2.13 H new ATOM 0 HD11 LEU A 71 7.111 -14.155 13.432 1.00 22.32 H new ATOM 0 HD12 LEU A 71 6.793 -14.834 11.818 1.00 22.32 H new ATOM 0 HD13 LEU A 71 6.922 -13.072 12.033 1.00 22.32 H new ATOM 0 HD21 LEU A 71 5.327 -12.982 14.667 1.00 21.20 H new ATOM 0 HD22 LEU A 71 5.068 -11.853 13.315 1.00 21.20 H new ATOM 0 HD23 LEU A 71 3.706 -12.804 13.954 1.00 21.20 H new ATOM 1066 N SER A 72 1.306 -12.685 10.891 1.00 74.32 N ATOM 1067 CA SER A 72 0.405 -11.887 10.067 1.00 64.35 C ATOM 1068 C SER A 72 1.063 -10.572 9.661 1.00 50.30 C ATOM 1069 O SER A 72 0.399 -9.542 9.548 1.00 75.25 O ATOM 1070 CB SER A 72 -0.897 -11.609 10.819 1.00 11.22 C ATOM 1071 OG SER A 72 -1.699 -12.774 10.899 1.00 31.43 O ATOM 0 H SER A 72 1.294 -12.446 11.882 1.00 74.32 H new ATOM 0 HA SER A 72 0.179 -12.454 9.164 1.00 64.35 H new ATOM 0 HB2 SER A 72 -0.671 -11.250 11.823 1.00 11.22 H new ATOM 0 HB3 SER A 72 -1.450 -10.817 10.314 1.00 11.22 H new ATOM 0 HG SER A 72 -2.525 -12.570 11.386 1.00 31.43 H new ATOM 1077 N ALA A 73 2.373 -10.615 9.444 1.00 44.20 N ATOM 1078 CA ALA A 73 3.122 -9.428 9.049 1.00 12.12 C ATOM 1079 C ALA A 73 3.844 -9.649 7.724 1.00 34.53 C ATOM 1080 O ALA A 73 4.012 -8.720 6.935 1.00 50.21 O ATOM 1081 CB ALA A 73 4.115 -9.044 10.136 1.00 21.50 C ATOM 0 H ALA A 73 2.938 -11.459 9.535 1.00 44.20 H new ATOM 0 HA ALA A 73 2.414 -8.611 8.914 1.00 12.12 H new ATOM 0 HB1 ALA A 73 4.667 -8.156 9.827 1.00 21.50 H new ATOM 0 HB2 ALA A 73 3.578 -8.834 11.061 1.00 21.50 H new ATOM 0 HB3 ALA A 73 4.812 -9.866 10.299 1.00 21.50 H new ATOM 1087 N TYR A 74 4.269 -10.885 7.487 1.00 33.43 N ATOM 1088 CA TYR A 74 4.976 -11.228 6.259 1.00 73.10 C ATOM 1089 C TYR A 74 4.148 -12.181 5.402 1.00 61.11 C ATOM 1090 O TYR A 74 4.309 -12.236 4.183 1.00 13.20 O ATOM 1091 CB TYR A 74 6.329 -11.862 6.585 1.00 61.04 C ATOM 1092 CG TYR A 74 7.073 -11.162 7.699 1.00 44.41 C ATOM 1093 CD1 TYR A 74 6.788 -11.436 9.031 1.00 54.41 C ATOM 1094 CD2 TYR A 74 8.061 -10.226 7.420 1.00 4.52 C ATOM 1095 CE1 TYR A 74 7.464 -10.798 10.052 1.00 4.35 C ATOM 1096 CE2 TYR A 74 8.744 -9.584 8.435 1.00 3.02 C ATOM 1097 CZ TYR A 74 8.442 -9.873 9.750 1.00 62.24 C ATOM 1098 OH TYR A 74 9.119 -9.235 10.764 1.00 62.25 O ATOM 0 H TYR A 74 4.136 -11.666 8.129 1.00 33.43 H new ATOM 0 HA TYR A 74 5.139 -10.310 5.695 1.00 73.10 H new ATOM 0 HB2 TYR A 74 6.175 -12.905 6.862 1.00 61.04 H new ATOM 0 HB3 TYR A 74 6.948 -11.859 5.688 1.00 61.04 H new ATOM 0 HD1 TYR A 74 6.024 -12.161 9.272 1.00 54.41 H new ATOM 0 HD2 TYR A 74 8.299 -9.996 6.392 1.00 4.52 H new ATOM 0 HE1 TYR A 74 7.228 -11.022 11.082 1.00 4.35 H new ATOM 0 HE2 TYR A 74 9.510 -8.860 8.200 1.00 3.02 H new ATOM 0 HH TYR A 74 10.018 -8.995 10.457 1.00 62.25 H new ATOM 1108 N ALA A 75 3.262 -12.930 6.049 1.00 34.22 N ATOM 1109 CA ALA A 75 2.406 -13.879 5.348 1.00 62.33 C ATOM 1110 C ALA A 75 1.746 -13.232 4.135 1.00 4.41 C ATOM 1111 O ALA A 75 1.600 -13.860 3.086 1.00 3.25 O ATOM 1112 CB ALA A 75 1.350 -14.436 6.291 1.00 2.44 C ATOM 0 H ALA A 75 3.118 -12.898 7.058 1.00 34.22 H new ATOM 0 HA ALA A 75 3.030 -14.700 4.995 1.00 62.33 H new ATOM 0 HB1 ALA A 75 0.718 -15.143 5.753 1.00 2.44 H new ATOM 0 HB2 ALA A 75 1.837 -14.944 7.123 1.00 2.44 H new ATOM 0 HB3 ALA A 75 0.737 -13.620 6.673 1.00 2.44 H new ATOM 1118 N ASP A 76 1.349 -11.973 4.286 1.00 42.13 N ATOM 1119 CA ASP A 76 0.705 -11.240 3.202 1.00 12.32 C ATOM 1120 C ASP A 76 1.728 -10.802 2.159 1.00 52.13 C ATOM 1121 O ASP A 76 1.438 -10.774 0.962 1.00 12.21 O ATOM 1122 CB ASP A 76 -0.035 -10.019 3.753 1.00 63.42 C ATOM 1123 CG ASP A 76 -0.709 -10.302 5.081 1.00 3.42 C ATOM 1124 OD1 ASP A 76 -0.099 -10.006 6.130 1.00 62.51 O ATOM 1125 OD2 ASP A 76 -1.846 -10.818 5.072 1.00 22.41 O ATOM 0 H ASP A 76 1.462 -11.439 5.148 1.00 42.13 H new ATOM 0 HA ASP A 76 -0.013 -11.905 2.723 1.00 12.32 H new ATOM 0 HB2 ASP A 76 0.669 -9.195 3.874 1.00 63.42 H new ATOM 0 HB3 ASP A 76 -0.784 -9.695 3.030 1.00 63.42 H new ATOM 1130 N THR A 77 2.927 -10.459 2.620 1.00 72.42 N ATOM 1131 CA THR A 77 3.992 -10.021 1.727 1.00 2.44 C ATOM 1132 C THR A 77 4.289 -11.074 0.666 1.00 54.43 C ATOM 1133 O THR A 77 4.551 -12.238 0.968 1.00 41.11 O ATOM 1134 CB THR A 77 5.286 -9.714 2.505 1.00 11.11 C ATOM 1135 OG1 THR A 77 5.060 -8.642 3.428 1.00 65.05 O ATOM 1136 CG2 THR A 77 6.414 -9.343 1.554 1.00 12.33 C ATOM 0 H THR A 77 3.184 -10.476 3.607 1.00 72.42 H new ATOM 0 HA THR A 77 3.642 -9.110 1.242 1.00 2.44 H new ATOM 0 HB THR A 77 5.575 -10.610 3.054 1.00 11.11 H new ATOM 0 HG1 THR A 77 5.887 -8.454 3.920 1.00 65.05 H new ATOM 0 HG21 THR A 77 7.317 -9.131 2.126 1.00 12.33 H new ATOM 0 HG22 THR A 77 6.603 -10.172 0.872 1.00 12.33 H new ATOM 0 HG23 THR A 77 6.131 -8.460 0.981 1.00 12.33 H new ATOM 1144 N PRO A 78 4.247 -10.658 -0.609 1.00 0.11 N ATOM 1145 CA PRO A 78 4.510 -11.551 -1.742 1.00 10.44 C ATOM 1146 C PRO A 78 5.974 -11.968 -1.823 1.00 23.22 C ATOM 1147 O PRO A 78 6.844 -11.156 -2.139 1.00 23.02 O ATOM 1148 CB PRO A 78 4.127 -10.703 -2.957 1.00 45.15 C ATOM 1149 CG PRO A 78 4.294 -9.294 -2.504 1.00 53.41 C ATOM 1150 CD PRO A 78 3.941 -9.284 -1.042 1.00 73.45 C ATOM 0 HA PRO A 78 3.953 -12.485 -1.664 1.00 10.44 H new ATOM 0 HB2 PRO A 78 4.768 -10.923 -3.811 1.00 45.15 H new ATOM 0 HB3 PRO A 78 3.101 -10.899 -3.269 1.00 45.15 H new ATOM 0 HG2 PRO A 78 5.317 -8.952 -2.661 1.00 53.41 H new ATOM 0 HG3 PRO A 78 3.644 -8.624 -3.067 1.00 53.41 H new ATOM 0 HD2 PRO A 78 4.528 -8.549 -0.492 1.00 73.45 H new ATOM 0 HD3 PRO A 78 2.891 -9.037 -0.884 1.00 73.45 H new ATOM 1158 N ILE A 79 6.239 -13.238 -1.536 1.00 62.33 N ATOM 1159 CA ILE A 79 7.598 -13.763 -1.579 1.00 5.12 C ATOM 1160 C ILE A 79 7.873 -14.471 -2.901 1.00 44.22 C ATOM 1161 O ILE A 79 7.118 -15.350 -3.316 1.00 74.51 O ATOM 1162 CB ILE A 79 7.860 -14.744 -0.420 1.00 51.34 C ATOM 1163 CG1 ILE A 79 7.661 -14.043 0.925 1.00 44.50 C ATOM 1164 CG2 ILE A 79 9.264 -15.320 -0.521 1.00 61.33 C ATOM 1165 CD1 ILE A 79 8.610 -12.886 1.149 1.00 10.23 C ATOM 0 H ILE A 79 5.531 -13.922 -1.271 1.00 62.33 H new ATOM 0 HA ILE A 79 8.269 -12.909 -1.481 1.00 5.12 H new ATOM 0 HB ILE A 79 7.146 -15.565 -0.490 1.00 51.34 H new ATOM 0 HG12 ILE A 79 6.636 -13.679 0.988 1.00 44.50 H new ATOM 0 HG13 ILE A 79 7.791 -14.770 1.727 1.00 44.50 H new ATOM 0 HG21 ILE A 79 9.434 -16.011 0.305 1.00 61.33 H new ATOM 0 HG22 ILE A 79 9.372 -15.851 -1.467 1.00 61.33 H new ATOM 0 HG23 ILE A 79 9.993 -14.511 -0.473 1.00 61.33 H new ATOM 0 HD11 ILE A 79 8.412 -12.436 2.122 1.00 10.23 H new ATOM 0 HD12 ILE A 79 9.638 -13.247 1.119 1.00 10.23 H new ATOM 0 HD13 ILE A 79 8.465 -12.140 0.368 1.00 10.23 H new ATOM 1177 N LEU A 80 8.961 -14.083 -3.559 1.00 14.25 N ATOM 1178 CA LEU A 80 9.338 -14.682 -4.834 1.00 53.53 C ATOM 1179 C LEU A 80 10.744 -15.269 -4.766 1.00 34.14 C ATOM 1180 O LEU A 80 11.726 -14.541 -4.618 1.00 34.43 O ATOM 1181 CB LEU A 80 9.262 -13.639 -5.951 1.00 63.23 C ATOM 1182 CG LEU A 80 7.933 -12.895 -6.086 1.00 44.13 C ATOM 1183 CD1 LEU A 80 6.765 -13.850 -5.900 1.00 21.43 C ATOM 1184 CD2 LEU A 80 7.857 -11.754 -5.083 1.00 10.35 C ATOM 0 H LEU A 80 9.597 -13.356 -3.230 1.00 14.25 H new ATOM 0 HA LEU A 80 8.638 -15.489 -5.050 1.00 53.53 H new ATOM 0 HB2 LEU A 80 10.051 -12.905 -5.790 1.00 63.23 H new ATOM 0 HB3 LEU A 80 9.476 -14.134 -6.898 1.00 63.23 H new ATOM 0 HG LEU A 80 7.874 -12.474 -7.090 1.00 44.13 H new ATOM 0 HD11 LEU A 80 5.828 -13.302 -6.000 1.00 21.43 H new ATOM 0 HD12 LEU A 80 6.810 -14.632 -6.658 1.00 21.43 H new ATOM 0 HD13 LEU A 80 6.818 -14.301 -4.909 1.00 21.43 H new ATOM 0 HD21 LEU A 80 6.905 -11.235 -5.193 1.00 10.35 H new ATOM 0 HD22 LEU A 80 7.938 -12.153 -4.072 1.00 10.35 H new ATOM 0 HD23 LEU A 80 8.674 -11.055 -5.264 1.00 10.35 H new ATOM 1196 N VAL A 81 10.833 -16.591 -4.876 1.00 42.20 N ATOM 1197 CA VAL A 81 12.119 -17.276 -4.830 1.00 21.51 C ATOM 1198 C VAL A 81 12.519 -17.788 -6.209 1.00 50.13 C ATOM 1199 O VAL A 81 11.665 -18.139 -7.025 1.00 24.52 O ATOM 1200 CB VAL A 81 12.089 -18.460 -3.845 1.00 0.15 C ATOM 1201 CG1 VAL A 81 11.080 -19.505 -4.296 1.00 24.22 C ATOM 1202 CG2 VAL A 81 13.475 -19.071 -3.704 1.00 2.44 C ATOM 0 H VAL A 81 10.030 -17.208 -4.998 1.00 42.20 H new ATOM 0 HA VAL A 81 12.854 -16.547 -4.489 1.00 21.51 H new ATOM 0 HB VAL A 81 11.779 -18.089 -2.868 1.00 0.15 H new ATOM 0 HG11 VAL A 81 11.073 -20.334 -3.588 1.00 24.22 H new ATOM 0 HG12 VAL A 81 10.087 -19.057 -4.340 1.00 24.22 H new ATOM 0 HG13 VAL A 81 11.356 -19.874 -5.284 1.00 24.22 H new ATOM 0 HG21 VAL A 81 13.435 -19.906 -3.004 1.00 2.44 H new ATOM 0 HG22 VAL A 81 13.816 -19.428 -4.676 1.00 2.44 H new ATOM 0 HG23 VAL A 81 14.168 -18.318 -3.330 1.00 2.44 H new ATOM 1212 N LEU A 82 13.822 -17.827 -6.464 1.00 60.44 N ATOM 1213 CA LEU A 82 14.337 -18.297 -7.746 1.00 52.12 C ATOM 1214 C LEU A 82 14.781 -19.753 -7.654 1.00 61.21 C ATOM 1215 O LEU A 82 15.187 -20.224 -6.591 1.00 33.40 O ATOM 1216 CB LEU A 82 15.507 -17.422 -8.199 1.00 61.43 C ATOM 1217 CG LEU A 82 15.175 -15.961 -8.504 1.00 33.31 C ATOM 1218 CD1 LEU A 82 15.208 -15.130 -7.231 1.00 45.41 C ATOM 1219 CD2 LEU A 82 16.140 -15.399 -9.537 1.00 4.44 C ATOM 0 H LEU A 82 14.541 -17.539 -5.801 1.00 60.44 H new ATOM 0 HA LEU A 82 13.534 -18.228 -8.480 1.00 52.12 H new ATOM 0 HB2 LEU A 82 16.273 -17.445 -7.424 1.00 61.43 H new ATOM 0 HB3 LEU A 82 15.944 -17.868 -9.092 1.00 61.43 H new ATOM 0 HG LEU A 82 14.167 -15.915 -8.917 1.00 33.31 H new ATOM 0 HD11 LEU A 82 14.969 -14.093 -7.467 1.00 45.41 H new ATOM 0 HD12 LEU A 82 14.476 -15.519 -6.524 1.00 45.41 H new ATOM 0 HD13 LEU A 82 16.203 -15.182 -6.788 1.00 45.41 H new ATOM 0 HD21 LEU A 82 15.888 -14.358 -9.742 1.00 4.44 H new ATOM 0 HD22 LEU A 82 17.158 -15.457 -9.153 1.00 4.44 H new ATOM 0 HD23 LEU A 82 16.065 -15.978 -10.457 1.00 4.44 H new ATOM 1231 N THR A 83 14.704 -20.462 -8.776 1.00 61.30 N ATOM 1232 CA THR A 83 15.099 -21.864 -8.823 1.00 21.33 C ATOM 1233 C THR A 83 16.044 -22.131 -9.989 1.00 1.22 C ATOM 1234 O THR A 83 16.055 -21.393 -10.975 1.00 1.35 O ATOM 1235 CB THR A 83 13.874 -22.789 -8.948 1.00 73.31 C ATOM 1236 OG1 THR A 83 14.294 -24.158 -8.973 1.00 73.04 O ATOM 1237 CG2 THR A 83 13.083 -22.473 -10.209 1.00 4.43 C ATOM 0 H THR A 83 14.371 -20.088 -9.665 1.00 61.30 H new ATOM 0 HA THR A 83 15.613 -22.078 -7.886 1.00 21.33 H new ATOM 0 HB THR A 83 13.231 -22.622 -8.084 1.00 73.31 H new ATOM 0 HG1 THR A 83 14.493 -24.456 -8.061 1.00 73.04 H new ATOM 0 HG21 THR A 83 12.223 -23.139 -10.275 1.00 4.43 H new ATOM 0 HG22 THR A 83 12.739 -21.439 -10.174 1.00 4.43 H new ATOM 0 HG23 THR A 83 13.719 -22.614 -11.083 1.00 4.43 H new ATOM 1245 N THR A 84 16.837 -23.191 -9.871 1.00 63.34 N ATOM 1246 CA THR A 84 17.786 -23.555 -10.916 1.00 25.23 C ATOM 1247 C THR A 84 17.136 -24.454 -11.961 1.00 22.42 C ATOM 1248 O THR A 84 17.434 -24.354 -13.150 1.00 52.44 O ATOM 1249 CB THR A 84 19.017 -24.274 -10.331 1.00 1.32 C ATOM 1250 OG1 THR A 84 18.617 -25.496 -9.702 1.00 24.50 O ATOM 1251 CG2 THR A 84 19.732 -23.388 -9.321 1.00 74.12 C ATOM 0 H THR A 84 16.841 -23.813 -9.062 1.00 63.34 H new ATOM 0 HA THR A 84 18.107 -22.627 -11.389 1.00 25.23 H new ATOM 0 HB THR A 84 19.704 -24.494 -11.148 1.00 1.32 H new ATOM 0 HG1 THR A 84 19.405 -25.948 -9.334 1.00 24.50 H new ATOM 0 HG21 THR A 84 20.597 -23.917 -8.922 1.00 74.12 H new ATOM 0 HG22 THR A 84 20.061 -22.471 -9.810 1.00 74.12 H new ATOM 0 HG23 THR A 84 19.050 -23.141 -8.507 1.00 74.12 H new ATOM 1259 N GLU A 85 16.247 -25.333 -11.508 1.00 52.22 N ATOM 1260 CA GLU A 85 15.555 -26.250 -12.406 1.00 52.11 C ATOM 1261 C GLU A 85 14.043 -26.159 -12.218 1.00 23.04 C ATOM 1262 O GLU A 85 13.556 -25.965 -11.105 1.00 1.13 O ATOM 1263 CB GLU A 85 16.024 -27.686 -12.165 1.00 65.13 C ATOM 1264 CG GLU A 85 17.286 -28.050 -12.930 1.00 73.43 C ATOM 1265 CD GLU A 85 17.028 -28.271 -14.408 1.00 44.13 C ATOM 1266 OE1 GLU A 85 16.600 -29.384 -14.777 1.00 20.31 O ATOM 1267 OE2 GLU A 85 17.256 -27.329 -15.196 1.00 54.13 O ATOM 0 H GLU A 85 15.990 -25.429 -10.526 1.00 52.22 H new ATOM 0 HA GLU A 85 15.794 -25.964 -13.430 1.00 52.11 H new ATOM 0 HB2 GLU A 85 16.202 -27.827 -11.099 1.00 65.13 H new ATOM 0 HB3 GLU A 85 15.226 -28.372 -12.449 1.00 65.13 H new ATOM 0 HG2 GLU A 85 18.022 -27.256 -12.808 1.00 73.43 H new ATOM 0 HG3 GLU A 85 17.719 -28.954 -12.501 1.00 73.43 H new ATOM 1274 N GLY A 86 13.306 -26.300 -13.315 1.00 61.52 N ATOM 1275 CA GLY A 86 11.858 -26.231 -13.250 1.00 40.33 C ATOM 1276 C GLY A 86 11.230 -27.558 -12.872 1.00 40.44 C ATOM 1277 O GLY A 86 10.375 -28.074 -13.591 1.00 73.41 O ATOM 0 H GLY A 86 13.686 -26.461 -14.248 1.00 61.52 H new ATOM 0 HA2 GLY A 86 11.566 -25.474 -12.522 1.00 40.33 H new ATOM 0 HA3 GLY A 86 11.469 -25.911 -14.217 1.00 40.33 H new ATOM 1281 N SER A 87 11.656 -28.112 -11.742 1.00 2.53 N ATOM 1282 CA SER A 87 11.134 -29.389 -11.272 1.00 73.53 C ATOM 1283 C SER A 87 9.946 -29.181 -10.338 1.00 53.52 C ATOM 1284 O SER A 87 9.905 -28.217 -9.573 1.00 44.22 O ATOM 1285 CB SER A 87 12.229 -30.179 -10.554 1.00 23.43 C ATOM 1286 OG SER A 87 11.757 -31.452 -10.148 1.00 24.51 O ATOM 0 H SER A 87 12.362 -27.696 -11.135 1.00 2.53 H new ATOM 0 HA SER A 87 10.796 -29.956 -12.140 1.00 73.53 H new ATOM 0 HB2 SER A 87 13.087 -30.300 -11.215 1.00 23.43 H new ATOM 0 HB3 SER A 87 12.573 -29.621 -9.683 1.00 23.43 H new ATOM 0 HG SER A 87 12.476 -31.938 -9.693 1.00 24.51 H new ATOM 1292 N ASP A 88 8.980 -30.090 -10.407 1.00 22.40 N ATOM 1293 CA ASP A 88 7.791 -30.008 -9.567 1.00 53.14 C ATOM 1294 C ASP A 88 8.146 -30.218 -8.099 1.00 24.31 C ATOM 1295 O ASP A 88 7.568 -29.588 -7.214 1.00 23.53 O ATOM 1296 CB ASP A 88 6.756 -31.045 -10.008 1.00 44.11 C ATOM 1297 CG ASP A 88 6.243 -30.790 -11.412 1.00 22.33 C ATOM 1298 OD1 ASP A 88 5.706 -29.690 -11.656 1.00 33.10 O ATOM 1299 OD2 ASP A 88 6.378 -31.692 -12.266 1.00 1.32 O ATOM 0 H ASP A 88 8.997 -30.893 -11.036 1.00 22.40 H new ATOM 0 HA ASP A 88 7.366 -29.011 -9.680 1.00 53.14 H new ATOM 0 HB2 ASP A 88 7.200 -32.040 -9.961 1.00 44.11 H new ATOM 0 HB3 ASP A 88 5.918 -31.037 -9.311 1.00 44.11 H new ATOM 1304 N ALA A 89 9.100 -31.109 -7.848 1.00 45.22 N ATOM 1305 CA ALA A 89 9.534 -31.402 -6.488 1.00 13.44 C ATOM 1306 C ALA A 89 10.054 -30.147 -5.795 1.00 44.42 C ATOM 1307 O ALA A 89 9.838 -29.950 -4.599 1.00 71.22 O ATOM 1308 CB ALA A 89 10.603 -32.484 -6.495 1.00 74.35 C ATOM 0 H ALA A 89 9.587 -31.641 -8.570 1.00 45.22 H new ATOM 0 HA ALA A 89 8.671 -31.764 -5.929 1.00 13.44 H new ATOM 0 HB1 ALA A 89 10.917 -32.692 -5.472 1.00 74.35 H new ATOM 0 HB2 ALA A 89 10.199 -33.392 -6.942 1.00 74.35 H new ATOM 0 HB3 ALA A 89 11.461 -32.144 -7.076 1.00 74.35 H new ATOM 1314 N PHE A 90 10.742 -29.300 -6.554 1.00 43.01 N ATOM 1315 CA PHE A 90 11.296 -28.064 -6.013 1.00 34.24 C ATOM 1316 C PHE A 90 10.192 -27.178 -5.443 1.00 11.03 C ATOM 1317 O PHE A 90 10.352 -26.570 -4.384 1.00 32.42 O ATOM 1318 CB PHE A 90 12.065 -27.307 -7.097 1.00 14.41 C ATOM 1319 CG PHE A 90 13.106 -26.372 -6.551 1.00 52.32 C ATOM 1320 CD1 PHE A 90 12.738 -25.268 -5.799 1.00 4.40 C ATOM 1321 CD2 PHE A 90 14.452 -26.597 -6.790 1.00 31.32 C ATOM 1322 CE1 PHE A 90 13.695 -24.405 -5.296 1.00 75.44 C ATOM 1323 CE2 PHE A 90 15.413 -25.739 -6.289 1.00 54.34 C ATOM 1324 CZ PHE A 90 15.033 -24.642 -5.541 1.00 3.12 C ATOM 0 H PHE A 90 10.929 -29.447 -7.546 1.00 43.01 H new ATOM 0 HA PHE A 90 11.982 -28.324 -5.207 1.00 34.24 H new ATOM 0 HB2 PHE A 90 12.546 -28.026 -7.760 1.00 14.41 H new ATOM 0 HB3 PHE A 90 11.359 -26.738 -7.702 1.00 14.41 H new ATOM 0 HD1 PHE A 90 11.693 -25.079 -5.603 1.00 4.40 H new ATOM 0 HD2 PHE A 90 14.754 -27.453 -7.375 1.00 31.32 H new ATOM 0 HE1 PHE A 90 13.396 -23.547 -4.712 1.00 75.44 H new ATOM 0 HE2 PHE A 90 16.459 -25.926 -6.482 1.00 54.34 H new ATOM 0 HZ PHE A 90 15.782 -23.970 -5.148 1.00 3.12 H new ATOM 1334 N LYS A 91 9.071 -27.108 -6.153 1.00 62.52 N ATOM 1335 CA LYS A 91 7.939 -26.298 -5.720 1.00 42.02 C ATOM 1336 C LYS A 91 7.555 -26.625 -4.281 1.00 34.31 C ATOM 1337 O LYS A 91 7.157 -25.744 -3.519 1.00 64.21 O ATOM 1338 CB LYS A 91 6.740 -26.525 -6.644 1.00 2.22 C ATOM 1339 CG LYS A 91 6.984 -26.083 -8.077 1.00 21.45 C ATOM 1340 CD LYS A 91 5.930 -26.641 -9.019 1.00 5.12 C ATOM 1341 CE LYS A 91 4.538 -26.157 -8.647 1.00 15.35 C ATOM 1342 NZ LYS A 91 3.550 -26.424 -9.728 1.00 52.04 N ATOM 0 H LYS A 91 8.922 -27.603 -7.032 1.00 62.52 H new ATOM 0 HA LYS A 91 8.234 -25.250 -5.769 1.00 42.02 H new ATOM 0 HB2 LYS A 91 6.483 -27.584 -6.638 1.00 2.22 H new ATOM 0 HB3 LYS A 91 5.879 -25.986 -6.248 1.00 2.22 H new ATOM 0 HG2 LYS A 91 6.980 -24.994 -8.129 1.00 21.45 H new ATOM 0 HG3 LYS A 91 7.972 -26.414 -8.398 1.00 21.45 H new ATOM 0 HD2 LYS A 91 6.159 -26.341 -10.042 1.00 5.12 H new ATOM 0 HD3 LYS A 91 5.957 -27.730 -8.992 1.00 5.12 H new ATOM 0 HE2 LYS A 91 4.215 -26.650 -7.730 1.00 15.35 H new ATOM 0 HE3 LYS A 91 4.569 -25.087 -8.440 1.00 15.35 H new ATOM 0 HZ1 LYS A 91 2.614 -26.079 -9.435 1.00 52.04 H new ATOM 0 HZ2 LYS A 91 3.844 -25.933 -10.596 1.00 52.04 H new ATOM 0 HZ3 LYS A 91 3.501 -27.447 -9.909 1.00 52.04 H new ATOM 1356 N ALA A 92 7.677 -27.897 -3.915 1.00 73.11 N ATOM 1357 CA ALA A 92 7.345 -28.339 -2.566 1.00 62.34 C ATOM 1358 C ALA A 92 8.245 -27.670 -1.533 1.00 30.53 C ATOM 1359 O ALA A 92 7.811 -27.366 -0.422 1.00 54.24 O ATOM 1360 CB ALA A 92 7.457 -29.853 -2.465 1.00 75.41 C ATOM 0 H ALA A 92 8.003 -28.639 -4.534 1.00 73.11 H new ATOM 0 HA ALA A 92 6.316 -28.047 -2.357 1.00 62.34 H new ATOM 0 HB1 ALA A 92 7.206 -30.170 -1.453 1.00 75.41 H new ATOM 0 HB2 ALA A 92 6.768 -30.317 -3.171 1.00 75.41 H new ATOM 0 HB3 ALA A 92 8.477 -30.159 -2.699 1.00 75.41 H new ATOM 1366 N ALA A 93 9.501 -27.446 -1.905 1.00 52.31 N ATOM 1367 CA ALA A 93 10.461 -26.812 -1.010 1.00 41.23 C ATOM 1368 C ALA A 93 10.062 -25.371 -0.709 1.00 25.00 C ATOM 1369 O ALA A 93 9.818 -25.013 0.443 1.00 45.43 O ATOM 1370 CB ALA A 93 11.857 -26.860 -1.614 1.00 73.03 C ATOM 0 H ALA A 93 9.877 -27.694 -2.820 1.00 52.31 H new ATOM 0 HA ALA A 93 10.464 -27.364 -0.070 1.00 41.23 H new ATOM 0 HB1 ALA A 93 12.564 -26.383 -0.935 1.00 73.03 H new ATOM 0 HB2 ALA A 93 12.150 -27.898 -1.772 1.00 73.03 H new ATOM 0 HB3 ALA A 93 11.859 -26.333 -2.568 1.00 73.03 H new ATOM 1376 N ALA A 94 9.999 -24.549 -1.751 1.00 63.14 N ATOM 1377 CA ALA A 94 9.629 -23.148 -1.598 1.00 0.32 C ATOM 1378 C ALA A 94 8.327 -23.006 -0.817 1.00 30.22 C ATOM 1379 O ALA A 94 8.222 -22.179 0.089 1.00 42.11 O ATOM 1380 CB ALA A 94 9.504 -22.482 -2.960 1.00 63.45 C ATOM 0 H ALA A 94 10.200 -24.830 -2.711 1.00 63.14 H new ATOM 0 HA ALA A 94 10.418 -22.650 -1.034 1.00 0.32 H new ATOM 0 HB1 ALA A 94 9.227 -21.436 -2.829 1.00 63.45 H new ATOM 0 HB2 ALA A 94 10.458 -22.542 -3.483 1.00 63.45 H new ATOM 0 HB3 ALA A 94 8.737 -22.990 -3.544 1.00 63.45 H new ATOM 1386 N ARG A 95 7.337 -23.818 -1.174 1.00 1.02 N ATOM 1387 CA ARG A 95 6.041 -23.781 -0.507 1.00 60.42 C ATOM 1388 C ARG A 95 6.156 -24.273 0.933 1.00 61.23 C ATOM 1389 O ARG A 95 5.473 -23.773 1.826 1.00 30.15 O ATOM 1390 CB ARG A 95 5.027 -24.636 -1.270 1.00 21.22 C ATOM 1391 CG ARG A 95 3.591 -24.422 -0.822 1.00 14.02 C ATOM 1392 CD ARG A 95 2.702 -25.590 -1.222 1.00 3.33 C ATOM 1393 NE ARG A 95 1.476 -25.640 -0.431 1.00 32.54 N ATOM 1394 CZ ARG A 95 0.682 -26.704 -0.373 1.00 21.13 C ATOM 1395 NH1 ARG A 95 0.985 -27.799 -1.056 1.00 21.44 N ATOM 1396 NH2 ARG A 95 -0.417 -26.674 0.370 1.00 51.50 N ATOM 0 H ARG A 95 7.408 -24.509 -1.921 1.00 1.02 H new ATOM 0 HA ARG A 95 5.697 -22.747 -0.493 1.00 60.42 H new ATOM 0 HB2 ARG A 95 5.104 -24.413 -2.334 1.00 21.22 H new ATOM 0 HB3 ARG A 95 5.285 -25.688 -1.146 1.00 21.22 H new ATOM 0 HG2 ARG A 95 3.562 -24.295 0.260 1.00 14.02 H new ATOM 0 HG3 ARG A 95 3.205 -23.502 -1.262 1.00 14.02 H new ATOM 0 HD2 ARG A 95 2.448 -25.507 -2.279 1.00 3.33 H new ATOM 0 HD3 ARG A 95 3.252 -26.523 -1.098 1.00 3.33 H new ATOM 0 HE ARG A 95 1.215 -24.813 0.106 1.00 32.54 H new ATOM 0 HH11 ARG A 95 1.829 -27.826 -1.628 1.00 21.44 H new ATOM 0 HH12 ARG A 95 0.374 -28.614 -1.010 1.00 21.44 H new ATOM 0 HH21 ARG A 95 -0.653 -25.834 0.897 1.00 51.50 H new ATOM 0 HH22 ARG A 95 -1.026 -27.491 0.414 1.00 51.50 H new ATOM 1410 N ASP A 96 7.024 -25.256 1.149 1.00 12.41 N ATOM 1411 CA ASP A 96 7.229 -25.815 2.480 1.00 20.01 C ATOM 1412 C ASP A 96 7.734 -24.748 3.446 1.00 3.11 C ATOM 1413 O ASP A 96 7.268 -24.653 4.581 1.00 21.40 O ATOM 1414 CB ASP A 96 8.221 -26.978 2.421 1.00 41.45 C ATOM 1415 CG ASP A 96 7.533 -28.317 2.247 1.00 23.44 C ATOM 1416 OD1 ASP A 96 8.149 -29.349 2.588 1.00 20.32 O ATOM 1417 OD2 ASP A 96 6.379 -28.334 1.772 1.00 32.11 O ATOM 0 H ASP A 96 7.596 -25.682 0.420 1.00 12.41 H new ATOM 0 HA ASP A 96 6.270 -26.184 2.844 1.00 20.01 H new ATOM 0 HB2 ASP A 96 8.914 -26.819 1.595 1.00 41.45 H new ATOM 0 HB3 ASP A 96 8.813 -26.993 3.336 1.00 41.45 H new ATOM 1422 N ALA A 97 8.691 -23.947 2.988 1.00 71.23 N ATOM 1423 CA ALA A 97 9.259 -22.887 3.811 1.00 53.43 C ATOM 1424 C ALA A 97 8.227 -21.800 4.094 1.00 43.43 C ATOM 1425 O ALA A 97 8.187 -21.239 5.188 1.00 53.52 O ATOM 1426 CB ALA A 97 10.484 -22.291 3.133 1.00 54.15 C ATOM 0 H ALA A 97 9.089 -24.013 2.051 1.00 71.23 H new ATOM 0 HA ALA A 97 9.561 -23.322 4.764 1.00 53.43 H new ATOM 0 HB1 ALA A 97 10.898 -21.500 3.759 1.00 54.15 H new ATOM 0 HB2 ALA A 97 11.234 -23.069 2.988 1.00 54.15 H new ATOM 0 HB3 ALA A 97 10.199 -21.876 2.166 1.00 54.15 H new ATOM 1432 N GLY A 98 7.395 -21.507 3.099 1.00 12.51 N ATOM 1433 CA GLY A 98 6.375 -20.487 3.261 1.00 1.34 C ATOM 1434 C GLY A 98 6.487 -19.385 2.227 1.00 42.24 C ATOM 1435 O GLY A 98 6.355 -18.205 2.550 1.00 53.13 O ATOM 0 H GLY A 98 7.409 -21.958 2.184 1.00 12.51 H new ATOM 0 HA2 GLY A 98 5.390 -20.948 3.190 1.00 1.34 H new ATOM 0 HA3 GLY A 98 6.454 -20.054 4.258 1.00 1.34 H new ATOM 1439 N ALA A 99 6.734 -19.770 0.979 1.00 72.03 N ATOM 1440 CA ALA A 99 6.864 -18.806 -0.107 1.00 14.12 C ATOM 1441 C ALA A 99 5.592 -18.751 -0.947 1.00 64.34 C ATOM 1442 O ALA A 99 4.934 -19.769 -1.165 1.00 25.43 O ATOM 1443 CB ALA A 99 8.061 -19.152 -0.979 1.00 42.43 C ATOM 0 H ALA A 99 6.848 -20.743 0.695 1.00 72.03 H new ATOM 0 HA ALA A 99 7.021 -17.820 0.331 1.00 14.12 H new ATOM 0 HB1 ALA A 99 8.146 -18.424 -1.786 1.00 42.43 H new ATOM 0 HB2 ALA A 99 8.969 -19.133 -0.376 1.00 42.43 H new ATOM 0 HB3 ALA A 99 7.928 -20.148 -1.402 1.00 42.43 H new ATOM 1449 N THR A 100 5.251 -17.556 -1.418 1.00 54.13 N ATOM 1450 CA THR A 100 4.057 -17.368 -2.233 1.00 62.35 C ATOM 1451 C THR A 100 4.258 -17.925 -3.638 1.00 74.42 C ATOM 1452 O THR A 100 3.522 -18.808 -4.077 1.00 73.13 O ATOM 1453 CB THR A 100 3.674 -15.880 -2.334 1.00 13.23 C ATOM 1454 OG1 THR A 100 3.451 -15.342 -1.025 1.00 71.14 O ATOM 1455 CG2 THR A 100 2.424 -15.699 -3.182 1.00 14.05 C ATOM 0 H THR A 100 5.785 -16.703 -1.249 1.00 54.13 H new ATOM 0 HA THR A 100 3.250 -17.911 -1.741 1.00 62.35 H new ATOM 0 HB THR A 100 4.497 -15.347 -2.810 1.00 13.23 H new ATOM 0 HG1 THR A 100 3.057 -14.448 -1.102 1.00 71.14 H new ATOM 0 HG21 THR A 100 2.173 -14.640 -3.239 1.00 14.05 H new ATOM 0 HG22 THR A 100 2.606 -16.083 -4.186 1.00 14.05 H new ATOM 0 HG23 THR A 100 1.596 -16.244 -2.730 1.00 14.05 H new ATOM 1463 N GLY A 101 5.260 -17.404 -4.339 1.00 71.04 N ATOM 1464 CA GLY A 101 5.539 -17.863 -5.688 1.00 2.53 C ATOM 1465 C GLY A 101 7.024 -18.020 -5.951 1.00 13.43 C ATOM 1466 O GLY A 101 7.852 -17.577 -5.155 1.00 31.54 O ATOM 0 H GLY A 101 5.884 -16.673 -3.998 1.00 71.04 H new ATOM 0 HA2 GLY A 101 5.041 -18.818 -5.854 1.00 2.53 H new ATOM 0 HA3 GLY A 101 5.119 -17.156 -6.403 1.00 2.53 H new ATOM 1470 N TRP A 102 7.361 -18.652 -7.069 1.00 12.12 N ATOM 1471 CA TRP A 102 8.756 -18.868 -7.434 1.00 5.25 C ATOM 1472 C TRP A 102 8.968 -18.654 -8.928 1.00 51.22 C ATOM 1473 O TRP A 102 8.008 -18.596 -9.698 1.00 4.22 O ATOM 1474 CB TRP A 102 9.195 -20.280 -7.041 1.00 1.52 C ATOM 1475 CG TRP A 102 8.749 -21.331 -8.011 1.00 25.40 C ATOM 1476 CD1 TRP A 102 7.590 -21.342 -8.733 1.00 64.11 C ATOM 1477 CD2 TRP A 102 9.455 -22.527 -8.363 1.00 11.50 C ATOM 1478 NE1 TRP A 102 7.533 -22.472 -9.513 1.00 13.01 N ATOM 1479 CE2 TRP A 102 8.665 -23.214 -9.305 1.00 32.52 C ATOM 1480 CE3 TRP A 102 10.678 -23.081 -7.976 1.00 74.51 C ATOM 1481 CZ2 TRP A 102 9.059 -24.428 -9.862 1.00 42.11 C ATOM 1482 CZ3 TRP A 102 11.067 -24.286 -8.530 1.00 24.01 C ATOM 1483 CH2 TRP A 102 10.261 -24.948 -9.465 1.00 71.31 C ATOM 0 H TRP A 102 6.687 -19.024 -7.739 1.00 12.12 H new ATOM 0 HA TRP A 102 9.363 -18.142 -6.893 1.00 5.25 H new ATOM 0 HB2 TRP A 102 10.282 -20.306 -6.962 1.00 1.52 H new ATOM 0 HB3 TRP A 102 8.798 -20.515 -6.053 1.00 1.52 H new ATOM 0 HD1 TRP A 102 6.830 -20.576 -8.696 1.00 64.11 H new ATOM 0 HE1 TRP A 102 6.771 -22.718 -10.145 1.00 13.01 H new ATOM 0 HE3 TRP A 102 11.307 -22.577 -7.258 1.00 74.51 H new ATOM 0 HZ2 TRP A 102 8.438 -24.941 -10.582 1.00 42.11 H new ATOM 0 HZ3 TRP A 102 12.009 -24.725 -8.237 1.00 24.01 H new ATOM 0 HH2 TRP A 102 10.595 -25.887 -9.881 1.00 71.31 H new ATOM 1494 N ILE A 103 10.228 -18.537 -9.332 1.00 63.34 N ATOM 1495 CA ILE A 103 10.564 -18.331 -10.736 1.00 20.13 C ATOM 1496 C ILE A 103 11.850 -19.062 -11.106 1.00 70.05 C ATOM 1497 O ILE A 103 12.564 -19.561 -10.237 1.00 41.34 O ATOM 1498 CB ILE A 103 10.725 -16.835 -11.062 1.00 40.41 C ATOM 1499 CG1 ILE A 103 11.218 -16.072 -9.831 1.00 0.13 C ATOM 1500 CG2 ILE A 103 9.408 -16.256 -11.558 1.00 63.11 C ATOM 1501 CD1 ILE A 103 10.100 -15.547 -8.957 1.00 60.13 C ATOM 0 H ILE A 103 11.033 -18.581 -8.708 1.00 63.34 H new ATOM 0 HA ILE A 103 9.738 -18.735 -11.321 1.00 20.13 H new ATOM 0 HB ILE A 103 11.467 -16.729 -11.853 1.00 40.41 H new ATOM 0 HG12 ILE A 103 11.854 -16.728 -9.238 1.00 0.13 H new ATOM 0 HG13 ILE A 103 11.837 -15.236 -10.156 1.00 0.13 H new ATOM 0 HG21 ILE A 103 9.538 -15.198 -11.784 1.00 63.11 H new ATOM 0 HG22 ILE A 103 9.095 -16.784 -12.459 1.00 63.11 H new ATOM 0 HG23 ILE A 103 8.646 -16.371 -10.787 1.00 63.11 H new ATOM 0 HD11 ILE A 103 10.523 -15.017 -8.104 1.00 60.13 H new ATOM 0 HD12 ILE A 103 9.476 -14.865 -9.535 1.00 60.13 H new ATOM 0 HD13 ILE A 103 9.494 -16.380 -8.602 1.00 60.13 H new ATOM 1513 N GLU A 104 12.139 -19.119 -12.403 1.00 31.52 N ATOM 1514 CA GLU A 104 13.340 -19.789 -12.888 1.00 41.20 C ATOM 1515 C GLU A 104 14.370 -18.773 -13.375 1.00 31.14 C ATOM 1516 O GLU A 104 14.205 -18.161 -14.430 1.00 60.11 O ATOM 1517 CB GLU A 104 12.989 -20.758 -14.019 1.00 44.31 C ATOM 1518 CG GLU A 104 11.837 -21.690 -13.686 1.00 60.42 C ATOM 1519 CD GLU A 104 11.779 -22.896 -14.604 1.00 34.12 C ATOM 1520 OE1 GLU A 104 12.760 -23.130 -15.340 1.00 33.52 O ATOM 1521 OE2 GLU A 104 10.751 -23.606 -14.585 1.00 52.44 O ATOM 0 H GLU A 104 11.559 -18.710 -13.135 1.00 31.52 H new ATOM 0 HA GLU A 104 13.772 -20.350 -12.060 1.00 41.20 H new ATOM 0 HB2 GLU A 104 12.736 -20.185 -14.911 1.00 44.31 H new ATOM 0 HB3 GLU A 104 13.869 -21.354 -14.262 1.00 44.31 H new ATOM 0 HG2 GLU A 104 11.934 -22.028 -12.654 1.00 60.42 H new ATOM 0 HG3 GLU A 104 10.898 -21.140 -13.754 1.00 60.42 H new ATOM 1528 N LYS A 105 15.433 -18.599 -12.597 1.00 1.41 N ATOM 1529 CA LYS A 105 16.491 -17.658 -12.947 1.00 23.54 C ATOM 1530 C LYS A 105 17.249 -18.128 -14.184 1.00 65.30 C ATOM 1531 O LYS A 105 17.230 -19.306 -14.544 1.00 10.44 O ATOM 1532 CB LYS A 105 17.461 -17.491 -11.774 1.00 72.05 C ATOM 1533 CG LYS A 105 18.699 -18.364 -11.880 1.00 23.00 C ATOM 1534 CD LYS A 105 18.344 -19.841 -11.850 1.00 64.23 C ATOM 1535 CE LYS A 105 19.421 -20.686 -12.514 1.00 32.50 C ATOM 1536 NZ LYS A 105 18.856 -21.579 -13.563 1.00 62.54 N ATOM 0 H LYS A 105 15.585 -19.097 -11.720 1.00 1.41 H new ATOM 0 HA LYS A 105 16.029 -16.696 -13.169 1.00 23.54 H new ATOM 0 HB2 LYS A 105 17.767 -16.447 -11.712 1.00 72.05 H new ATOM 0 HB3 LYS A 105 16.940 -17.726 -10.846 1.00 72.05 H new ATOM 0 HG2 LYS A 105 19.229 -18.135 -12.805 1.00 23.00 H new ATOM 0 HG3 LYS A 105 19.378 -18.135 -11.059 1.00 23.00 H new ATOM 0 HD2 LYS A 105 18.212 -20.164 -10.817 1.00 64.23 H new ATOM 0 HD3 LYS A 105 17.392 -19.998 -12.357 1.00 64.23 H new ATOM 0 HE2 LYS A 105 20.172 -20.033 -12.959 1.00 32.50 H new ATOM 0 HE3 LYS A 105 19.928 -21.287 -11.759 1.00 32.50 H new ATOM 0 HZ1 LYS A 105 19.402 -22.464 -13.597 1.00 62.54 H new ATOM 0 HZ2 LYS A 105 17.863 -21.793 -13.339 1.00 62.54 H new ATOM 0 HZ3 LYS A 105 18.908 -21.105 -14.487 1.00 62.54 H new ATOM 1550 N PRO A 106 17.935 -17.188 -14.851 1.00 62.34 N ATOM 1551 CA PRO A 106 17.965 -15.784 -14.433 1.00 42.31 C ATOM 1552 C PRO A 106 16.623 -15.089 -14.637 1.00 62.15 C ATOM 1553 O PRO A 106 15.709 -15.650 -15.242 1.00 61.50 O ATOM 1554 CB PRO A 106 19.031 -15.166 -15.342 1.00 10.24 C ATOM 1555 CG PRO A 106 19.049 -16.036 -16.550 1.00 62.24 C ATOM 1556 CD PRO A 106 18.733 -17.424 -16.066 1.00 65.31 C ATOM 0 HA PRO A 106 18.180 -15.680 -13.369 1.00 42.31 H new ATOM 0 HB2 PRO A 106 18.783 -14.136 -15.599 1.00 10.24 H new ATOM 0 HB3 PRO A 106 20.005 -15.147 -14.853 1.00 10.24 H new ATOM 0 HG2 PRO A 106 18.314 -15.702 -17.283 1.00 62.24 H new ATOM 0 HG3 PRO A 106 20.023 -16.005 -17.038 1.00 62.24 H new ATOM 0 HD2 PRO A 106 18.174 -17.991 -16.810 1.00 65.31 H new ATOM 0 HD3 PRO A 106 19.639 -17.990 -15.848 1.00 65.31 H new ATOM 1564 N ILE A 107 16.512 -13.866 -14.131 1.00 1.14 N ATOM 1565 CA ILE A 107 15.282 -13.095 -14.260 1.00 12.05 C ATOM 1566 C ILE A 107 15.505 -11.839 -15.095 1.00 2.24 C ATOM 1567 O ILE A 107 16.566 -11.218 -15.029 1.00 44.01 O ATOM 1568 CB ILE A 107 14.724 -12.690 -12.882 1.00 43.22 C ATOM 1569 CG1 ILE A 107 14.671 -13.903 -11.952 1.00 65.40 C ATOM 1570 CG2 ILE A 107 13.343 -12.069 -13.032 1.00 22.45 C ATOM 1571 CD1 ILE A 107 13.715 -14.980 -12.416 1.00 42.54 C ATOM 0 H ILE A 107 17.259 -13.387 -13.628 1.00 1.14 H new ATOM 0 HA ILE A 107 14.558 -13.738 -14.761 1.00 12.05 H new ATOM 0 HB ILE A 107 15.389 -11.947 -12.441 1.00 43.22 H new ATOM 0 HG12 ILE A 107 15.671 -14.329 -11.866 1.00 65.40 H new ATOM 0 HG13 ILE A 107 14.378 -13.574 -10.955 1.00 65.40 H new ATOM 0 HG21 ILE A 107 12.962 -11.788 -12.050 1.00 22.45 H new ATOM 0 HG22 ILE A 107 13.409 -11.183 -13.663 1.00 22.45 H new ATOM 0 HG23 ILE A 107 12.667 -12.791 -13.491 1.00 22.45 H new ATOM 0 HD11 ILE A 107 13.730 -15.809 -11.708 1.00 42.54 H new ATOM 0 HD12 ILE A 107 12.706 -14.571 -12.475 1.00 42.54 H new ATOM 0 HD13 ILE A 107 14.019 -15.337 -13.400 1.00 42.54 H new ATOM 1583 N ASP A 108 14.498 -11.469 -15.878 1.00 21.01 N ATOM 1584 CA ASP A 108 14.583 -10.285 -16.724 1.00 53.54 C ATOM 1585 C ASP A 108 14.016 -9.063 -16.008 1.00 5.24 C ATOM 1586 O ASP A 108 13.223 -9.173 -15.072 1.00 64.44 O ATOM 1587 CB ASP A 108 13.832 -10.515 -18.037 1.00 11.32 C ATOM 1588 CG ASP A 108 14.767 -10.797 -19.197 1.00 35.54 C ATOM 1589 OD1 ASP A 108 15.876 -10.224 -19.219 1.00 11.15 O ATOM 1590 OD2 ASP A 108 14.389 -11.593 -20.082 1.00 21.02 O ATOM 0 H ASP A 108 13.613 -11.972 -15.944 1.00 21.01 H new ATOM 0 HA ASP A 108 15.635 -10.100 -16.943 1.00 53.54 H new ATOM 0 HB2 ASP A 108 13.144 -11.352 -17.917 1.00 11.32 H new ATOM 0 HB3 ASP A 108 13.229 -9.637 -18.266 1.00 11.32 H new ATOM 1595 N PRO A 109 14.433 -7.869 -16.454 1.00 40.50 N ATOM 1596 CA PRO A 109 13.980 -6.603 -15.869 1.00 44.10 C ATOM 1597 C PRO A 109 12.514 -6.315 -16.174 1.00 23.04 C ATOM 1598 O PRO A 109 11.809 -5.712 -15.365 1.00 60.45 O ATOM 1599 CB PRO A 109 14.880 -5.561 -16.538 1.00 42.13 C ATOM 1600 CG PRO A 109 15.286 -6.184 -17.829 1.00 24.20 C ATOM 1601 CD PRO A 109 15.377 -7.662 -17.565 1.00 5.23 C ATOM 0 HA PRO A 109 14.048 -6.610 -14.781 1.00 44.10 H new ATOM 0 HB2 PRO A 109 14.347 -4.624 -16.701 1.00 42.13 H new ATOM 0 HB3 PRO A 109 15.747 -5.331 -15.919 1.00 42.13 H new ATOM 0 HG2 PRO A 109 14.557 -5.971 -18.611 1.00 24.20 H new ATOM 0 HG3 PRO A 109 16.243 -5.789 -18.169 1.00 24.20 H new ATOM 0 HD2 PRO A 109 15.098 -8.245 -18.443 1.00 5.23 H new ATOM 0 HD3 PRO A 109 16.390 -7.960 -17.293 1.00 5.23 H new ATOM 1609 N GLY A 110 12.061 -6.751 -17.345 1.00 42.54 N ATOM 1610 CA GLY A 110 10.681 -6.530 -17.735 1.00 72.23 C ATOM 1611 C GLY A 110 9.713 -7.401 -16.959 1.00 70.23 C ATOM 1612 O GLY A 110 8.591 -6.988 -16.668 1.00 14.31 O ATOM 0 H GLY A 110 12.625 -7.253 -18.031 1.00 42.54 H new ATOM 0 HA2 GLY A 110 10.426 -5.482 -17.580 1.00 72.23 H new ATOM 0 HA3 GLY A 110 10.571 -6.730 -18.801 1.00 72.23 H new ATOM 1616 N VAL A 111 10.147 -8.612 -16.624 1.00 71.35 N ATOM 1617 CA VAL A 111 9.311 -9.545 -15.878 1.00 54.30 C ATOM 1618 C VAL A 111 9.344 -9.238 -14.385 1.00 33.30 C ATOM 1619 O VAL A 111 8.327 -9.339 -13.697 1.00 1.04 O ATOM 1620 CB VAL A 111 9.757 -11.002 -16.102 1.00 12.20 C ATOM 1621 CG1 VAL A 111 8.875 -11.958 -15.313 1.00 50.31 C ATOM 1622 CG2 VAL A 111 9.735 -11.343 -17.584 1.00 70.42 C ATOM 0 H VAL A 111 11.073 -8.970 -16.858 1.00 71.35 H new ATOM 0 HA VAL A 111 8.293 -9.424 -16.249 1.00 54.30 H new ATOM 0 HB VAL A 111 10.780 -11.110 -15.743 1.00 12.20 H new ATOM 0 HG11 VAL A 111 9.205 -12.983 -15.484 1.00 50.31 H new ATOM 0 HG12 VAL A 111 8.947 -11.726 -14.250 1.00 50.31 H new ATOM 0 HG13 VAL A 111 7.840 -11.851 -15.639 1.00 50.31 H new ATOM 0 HG21 VAL A 111 10.053 -12.376 -17.724 1.00 70.42 H new ATOM 0 HG22 VAL A 111 8.724 -11.219 -17.971 1.00 70.42 H new ATOM 0 HG23 VAL A 111 10.413 -10.679 -18.120 1.00 70.42 H new ATOM 1632 N LEU A 112 10.518 -8.864 -13.890 1.00 11.45 N ATOM 1633 CA LEU A 112 10.684 -8.541 -12.477 1.00 24.25 C ATOM 1634 C LEU A 112 9.842 -7.329 -12.092 1.00 32.45 C ATOM 1635 O LEU A 112 9.060 -7.380 -11.142 1.00 31.11 O ATOM 1636 CB LEU A 112 12.158 -8.272 -12.165 1.00 34.23 C ATOM 1637 CG LEU A 112 12.493 -7.993 -10.699 1.00 63.13 C ATOM 1638 CD1 LEU A 112 12.206 -6.540 -10.353 1.00 63.42 C ATOM 1639 CD2 LEU A 112 11.711 -8.926 -9.786 1.00 11.40 C ATOM 0 H LEU A 112 11.369 -8.777 -14.445 1.00 11.45 H new ATOM 0 HA LEU A 112 10.345 -9.396 -11.892 1.00 24.25 H new ATOM 0 HB2 LEU A 112 12.741 -9.133 -12.493 1.00 34.23 H new ATOM 0 HB3 LEU A 112 12.485 -7.420 -12.760 1.00 34.23 H new ATOM 0 HG LEU A 112 13.557 -8.177 -10.548 1.00 63.13 H new ATOM 0 HD11 LEU A 112 12.450 -6.360 -9.306 1.00 63.42 H new ATOM 0 HD12 LEU A 112 12.812 -5.889 -10.984 1.00 63.42 H new ATOM 0 HD13 LEU A 112 11.150 -6.328 -10.521 1.00 63.42 H new ATOM 0 HD21 LEU A 112 11.962 -8.713 -8.747 1.00 11.40 H new ATOM 0 HD22 LEU A 112 10.643 -8.774 -9.940 1.00 11.40 H new ATOM 0 HD23 LEU A 112 11.967 -9.960 -10.017 1.00 11.40 H new ATOM 1651 N VAL A 113 10.005 -6.241 -12.837 1.00 10.34 N ATOM 1652 CA VAL A 113 9.257 -5.017 -12.576 1.00 1.44 C ATOM 1653 C VAL A 113 7.756 -5.253 -12.699 1.00 41.35 C ATOM 1654 O VAL A 113 6.963 -4.662 -11.967 1.00 70.12 O ATOM 1655 CB VAL A 113 9.670 -3.890 -13.541 1.00 71.05 C ATOM 1656 CG1 VAL A 113 8.851 -2.635 -13.280 1.00 21.24 C ATOM 1657 CG2 VAL A 113 11.158 -3.601 -13.417 1.00 62.02 C ATOM 0 H VAL A 113 10.648 -6.182 -13.626 1.00 10.34 H new ATOM 0 HA VAL A 113 9.491 -4.715 -11.555 1.00 1.44 H new ATOM 0 HB VAL A 113 9.471 -4.218 -14.561 1.00 71.05 H new ATOM 0 HG11 VAL A 113 9.157 -1.850 -13.972 1.00 21.24 H new ATOM 0 HG12 VAL A 113 7.793 -2.854 -13.425 1.00 21.24 H new ATOM 0 HG13 VAL A 113 9.015 -2.300 -12.256 1.00 21.24 H new ATOM 0 HG21 VAL A 113 11.432 -2.802 -14.106 1.00 62.02 H new ATOM 0 HG22 VAL A 113 11.385 -3.294 -12.396 1.00 62.02 H new ATOM 0 HG23 VAL A 113 11.725 -4.500 -13.660 1.00 62.02 H new ATOM 1667 N GLU A 114 7.374 -6.121 -13.631 1.00 51.30 N ATOM 1668 CA GLU A 114 5.967 -6.434 -13.851 1.00 31.44 C ATOM 1669 C GLU A 114 5.403 -7.246 -12.688 1.00 73.32 C ATOM 1670 O GLU A 114 4.243 -7.082 -12.306 1.00 62.22 O ATOM 1671 CB GLU A 114 5.792 -7.208 -15.159 1.00 50.54 C ATOM 1672 CG GLU A 114 5.654 -6.314 -16.380 1.00 44.15 C ATOM 1673 CD GLU A 114 4.314 -5.607 -16.438 1.00 71.43 C ATOM 1674 OE1 GLU A 114 4.127 -4.760 -17.336 1.00 64.24 O ATOM 1675 OE2 GLU A 114 3.451 -5.903 -15.585 1.00 2.52 O ATOM 0 H GLU A 114 8.018 -6.619 -14.245 1.00 51.30 H new ATOM 0 HA GLU A 114 5.418 -5.495 -13.917 1.00 31.44 H new ATOM 0 HB2 GLU A 114 6.647 -7.869 -15.298 1.00 50.54 H new ATOM 0 HB3 GLU A 114 4.909 -7.842 -15.081 1.00 50.54 H new ATOM 0 HG2 GLU A 114 6.452 -5.572 -16.374 1.00 44.15 H new ATOM 0 HG3 GLU A 114 5.783 -6.914 -17.281 1.00 44.15 H new ATOM 1682 N LEU A 115 6.230 -8.123 -12.130 1.00 42.11 N ATOM 1683 CA LEU A 115 5.815 -8.962 -11.011 1.00 41.12 C ATOM 1684 C LEU A 115 5.570 -8.122 -9.762 1.00 52.41 C ATOM 1685 O LEU A 115 4.661 -8.403 -8.980 1.00 42.34 O ATOM 1686 CB LEU A 115 6.877 -10.025 -10.724 1.00 73.11 C ATOM 1687 CG LEU A 115 6.835 -11.272 -11.609 1.00 11.42 C ATOM 1688 CD1 LEU A 115 8.058 -12.141 -11.364 1.00 45.05 C ATOM 1689 CD2 LEU A 115 5.559 -12.061 -11.358 1.00 35.23 C ATOM 0 H LEU A 115 7.192 -8.272 -12.434 1.00 42.11 H new ATOM 0 HA LEU A 115 4.882 -9.454 -11.284 1.00 41.12 H new ATOM 0 HB2 LEU A 115 7.860 -9.565 -10.826 1.00 73.11 H new ATOM 0 HB3 LEU A 115 6.778 -10.338 -9.685 1.00 73.11 H new ATOM 0 HG LEU A 115 6.843 -10.955 -12.652 1.00 11.42 H new ATOM 0 HD11 LEU A 115 8.011 -13.023 -12.002 1.00 45.05 H new ATOM 0 HD12 LEU A 115 8.960 -11.574 -11.595 1.00 45.05 H new ATOM 0 HD13 LEU A 115 8.081 -12.450 -10.319 1.00 45.05 H new ATOM 0 HD21 LEU A 115 5.546 -12.945 -11.996 1.00 35.23 H new ATOM 0 HD22 LEU A 115 5.520 -12.368 -10.313 1.00 35.23 H new ATOM 0 HD23 LEU A 115 4.695 -11.437 -11.585 1.00 35.23 H new ATOM 1701 N VAL A 116 6.385 -7.087 -9.581 1.00 70.25 N ATOM 1702 CA VAL A 116 6.255 -6.203 -8.429 1.00 73.34 C ATOM 1703 C VAL A 116 5.209 -5.123 -8.681 1.00 44.53 C ATOM 1704 O VAL A 116 4.499 -4.707 -7.767 1.00 14.12 O ATOM 1705 CB VAL A 116 7.597 -5.533 -8.082 1.00 0.42 C ATOM 1706 CG1 VAL A 116 8.090 -4.688 -9.247 1.00 34.00 C ATOM 1707 CG2 VAL A 116 7.461 -4.691 -6.822 1.00 41.42 C ATOM 0 H VAL A 116 7.142 -6.840 -10.218 1.00 70.25 H new ATOM 0 HA VAL A 116 5.939 -6.821 -7.589 1.00 73.34 H new ATOM 0 HB VAL A 116 8.335 -6.313 -7.893 1.00 0.42 H new ATOM 0 HG11 VAL A 116 9.040 -4.223 -8.983 1.00 34.00 H new ATOM 0 HG12 VAL A 116 8.228 -5.321 -10.123 1.00 34.00 H new ATOM 0 HG13 VAL A 116 7.356 -3.914 -9.471 1.00 34.00 H new ATOM 0 HG21 VAL A 116 8.419 -4.225 -6.591 1.00 41.42 H new ATOM 0 HG22 VAL A 116 6.710 -3.918 -6.981 1.00 41.42 H new ATOM 0 HG23 VAL A 116 7.157 -5.327 -5.990 1.00 41.42 H new ATOM 1717 N ALA A 117 5.121 -4.672 -9.928 1.00 42.44 N ATOM 1718 CA ALA A 117 4.161 -3.641 -10.302 1.00 12.32 C ATOM 1719 C ALA A 117 2.750 -4.020 -9.863 1.00 43.33 C ATOM 1720 O ALA A 117 2.071 -3.249 -9.184 1.00 42.22 O ATOM 1721 CB ALA A 117 4.202 -3.400 -11.804 1.00 31.14 C ATOM 0 H ALA A 117 5.703 -5.005 -10.697 1.00 42.44 H new ATOM 0 HA ALA A 117 4.438 -2.719 -9.790 1.00 12.32 H new ATOM 0 HB1 ALA A 117 3.480 -2.628 -12.068 1.00 31.14 H new ATOM 0 HB2 ALA A 117 5.202 -3.076 -12.093 1.00 31.14 H new ATOM 0 HB3 ALA A 117 3.954 -4.323 -12.328 1.00 31.14 H new ATOM 1727 N THR A 118 2.314 -5.212 -10.256 1.00 74.44 N ATOM 1728 CA THR A 118 0.983 -5.693 -9.906 1.00 2.14 C ATOM 1729 C THR A 118 0.735 -5.578 -8.406 1.00 52.00 C ATOM 1730 O THR A 118 -0.383 -5.298 -7.971 1.00 73.51 O ATOM 1731 CB THR A 118 0.783 -7.158 -10.337 1.00 22.02 C ATOM 1732 OG1 THR A 118 -0.476 -7.643 -9.857 1.00 1.52 O ATOM 1733 CG2 THR A 118 1.906 -8.036 -9.806 1.00 21.40 C ATOM 0 H THR A 118 2.863 -5.863 -10.817 1.00 74.44 H new ATOM 0 HA THR A 118 0.269 -5.065 -10.440 1.00 2.14 H new ATOM 0 HB THR A 118 0.796 -7.198 -11.426 1.00 22.02 H new ATOM 0 HG1 THR A 118 -0.596 -8.575 -10.137 1.00 1.52 H new ATOM 0 HG21 THR A 118 1.743 -9.066 -10.123 1.00 21.40 H new ATOM 0 HG22 THR A 118 2.860 -7.682 -10.197 1.00 21.40 H new ATOM 0 HG23 THR A 118 1.920 -7.989 -8.717 1.00 21.40 H new ATOM 1741 N LEU A 119 1.783 -5.794 -7.619 1.00 60.43 N ATOM 1742 CA LEU A 119 1.679 -5.714 -6.166 1.00 73.24 C ATOM 1743 C LEU A 119 1.703 -4.263 -5.698 1.00 2.20 C ATOM 1744 O LEU A 119 1.021 -3.897 -4.741 1.00 31.42 O ATOM 1745 CB LEU A 119 2.820 -6.493 -5.510 1.00 34.43 C ATOM 1746 CG LEU A 119 3.197 -7.818 -6.174 1.00 4.21 C ATOM 1747 CD1 LEU A 119 4.489 -8.362 -5.583 1.00 74.10 C ATOM 1748 CD2 LEU A 119 2.071 -8.830 -6.023 1.00 64.33 C ATOM 0 H LEU A 119 2.715 -6.026 -7.963 1.00 60.43 H new ATOM 0 HA LEU A 119 0.728 -6.156 -5.869 1.00 73.24 H new ATOM 0 HB2 LEU A 119 3.704 -5.855 -5.490 1.00 34.43 H new ATOM 0 HB3 LEU A 119 2.548 -6.693 -4.474 1.00 34.43 H new ATOM 0 HG LEU A 119 3.355 -7.638 -7.237 1.00 4.21 H new ATOM 0 HD11 LEU A 119 4.742 -9.305 -6.067 1.00 74.10 H new ATOM 0 HD12 LEU A 119 5.293 -7.644 -5.744 1.00 74.10 H new ATOM 0 HD13 LEU A 119 4.359 -8.527 -4.513 1.00 74.10 H new ATOM 0 HD21 LEU A 119 2.357 -9.767 -6.502 1.00 64.33 H new ATOM 0 HD22 LEU A 119 1.880 -9.007 -4.964 1.00 64.33 H new ATOM 0 HD23 LEU A 119 1.168 -8.443 -6.495 1.00 64.33 H new ATOM 1760 N SER A 120 2.492 -3.439 -6.380 1.00 64.35 N ATOM 1761 CA SER A 120 2.607 -2.028 -6.033 1.00 41.34 C ATOM 1762 C SER A 120 1.281 -1.306 -6.250 1.00 53.51 C ATOM 1763 O SER A 120 0.891 -0.450 -5.456 1.00 44.12 O ATOM 1764 CB SER A 120 3.705 -1.363 -6.867 1.00 34.32 C ATOM 1765 OG SER A 120 3.590 0.049 -6.829 1.00 33.42 O ATOM 0 H SER A 120 3.061 -3.725 -7.177 1.00 64.35 H new ATOM 0 HA SER A 120 2.870 -1.959 -4.978 1.00 41.34 H new ATOM 0 HB2 SER A 120 4.683 -1.662 -6.490 1.00 34.32 H new ATOM 0 HB3 SER A 120 3.642 -1.708 -7.899 1.00 34.32 H new ATOM 0 HG SER A 120 4.328 0.451 -7.333 1.00 33.42 H new