USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 hydrogens (23 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot -147:sc= 0.545 USER MOD Set 1.2: A 40 TYR OH : rot -179:sc= -2.47! USER MOD Set 1.3: A 48 THR OG1 : rot 88:sc= 2.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.239 (180deg=-0.00261) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -49:sc= 0.823 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0804 USER MOD Single : A 24 THR OG1 : rot 116:sc= -0.0963 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -177:sc= -2.53! (180deg=-2.59!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -81:sc= 0.948 USER MOD Single : A 59 SER OG : rot 28:sc= 0.225 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 79 ASN : amide:sc= -0.7 X(o=-0.7,f=-1.2) USER MOD Single : A 87 SXA O33 : rot -126:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.451 -7.527 -5.818 1.00 4.19 N ATOM 2 CA MET A 1 17.428 -7.608 -4.737 1.00 3.33 C ATOM 3 C MET A 1 16.885 -6.793 -3.603 1.00 2.81 C ATOM 4 O MET A 1 15.977 -5.989 -3.830 1.00 3.10 O ATOM 5 CB MET A 1 18.804 -7.071 -5.168 1.00 3.38 C ATOM 6 CG MET A 1 18.832 -5.579 -5.446 1.00 4.12 C ATOM 7 SD MET A 1 20.451 -4.983 -5.926 1.00 4.79 S ATOM 8 CE MET A 1 20.088 -3.241 -6.083 1.00 5.54 C ATOM 0 H1 MET A 1 15.985 -8.449 -5.934 1.00 4.19 H new ATOM 0 H2 MET A 1 15.738 -6.805 -5.588 1.00 4.19 H new ATOM 0 H3 MET A 1 16.933 -7.268 -6.703 1.00 4.19 H new ATOM 0 HA MET A 1 17.579 -8.648 -4.447 1.00 3.33 H new ATOM 0 HB2 MET A 1 19.530 -7.297 -4.387 1.00 3.38 H new ATOM 0 HB3 MET A 1 19.124 -7.602 -6.065 1.00 3.38 H new ATOM 0 HG2 MET A 1 18.118 -5.350 -6.237 1.00 4.12 H new ATOM 0 HG3 MET A 1 18.504 -5.043 -4.555 1.00 4.12 H new ATOM 0 HE1 MET A 1 20.991 -2.706 -6.379 1.00 5.54 H new ATOM 0 HE2 MET A 1 19.316 -3.097 -6.839 1.00 5.54 H new ATOM 0 HE3 MET A 1 19.735 -2.855 -5.127 1.00 5.54 H new ATOM 20 N ALA A 2 17.420 -7.003 -2.399 1.00 2.62 N ATOM 21 CA ALA A 2 16.932 -6.376 -1.161 1.00 2.47 C ATOM 22 C ALA A 2 15.554 -6.929 -0.816 1.00 1.86 C ATOM 23 O ALA A 2 14.972 -7.715 -1.596 1.00 1.91 O ATOM 24 CB ALA A 2 16.920 -4.842 -1.246 1.00 3.03 C ATOM 0 H ALA A 2 18.217 -7.622 -2.250 1.00 2.62 H new ATOM 0 HA ALA A 2 17.626 -6.627 -0.359 1.00 2.47 H new ATOM 0 HB1 ALA A 2 16.552 -4.428 -0.307 1.00 3.03 H new ATOM 0 HB2 ALA A 2 17.931 -4.480 -1.430 1.00 3.03 H new ATOM 0 HB3 ALA A 2 16.268 -4.528 -2.061 1.00 3.03 H new ATOM 30 N THR A 3 15.043 -6.597 0.334 1.00 1.56 N ATOM 31 CA THR A 3 13.736 -7.066 0.693 1.00 1.14 C ATOM 32 C THR A 3 12.712 -6.187 0.000 1.00 0.93 C ATOM 33 O THR A 3 12.533 -5.032 0.361 1.00 1.17 O ATOM 34 CB THR A 3 13.541 -6.974 2.221 1.00 1.54 C ATOM 35 OG1 THR A 3 14.632 -7.647 2.879 1.00 1.88 O ATOM 36 CG2 THR A 3 12.228 -7.628 2.636 1.00 1.93 C ATOM 0 H THR A 3 15.503 -6.012 1.031 1.00 1.56 H new ATOM 0 HA THR A 3 13.618 -8.106 0.388 1.00 1.14 H new ATOM 0 HB THR A 3 13.517 -5.923 2.508 1.00 1.54 H new ATOM 0 HG1 THR A 3 14.514 -7.590 3.850 1.00 1.88 H new ATOM 0 HG21 THR A 3 12.110 -7.552 3.717 1.00 1.93 H new ATOM 0 HG22 THR A 3 11.398 -7.122 2.144 1.00 1.93 H new ATOM 0 HG23 THR A 3 12.237 -8.678 2.345 1.00 1.93 H new ATOM 44 N LEU A 4 12.096 -6.717 -1.016 1.00 0.66 N ATOM 45 CA LEU A 4 11.083 -6.007 -1.729 1.00 0.56 C ATOM 46 C LEU A 4 9.759 -6.509 -1.245 1.00 0.50 C ATOM 47 O LEU A 4 9.648 -7.667 -0.833 1.00 0.76 O ATOM 48 CB LEU A 4 11.232 -6.181 -3.245 1.00 0.65 C ATOM 49 CG LEU A 4 12.550 -5.683 -3.858 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.529 -5.834 -5.367 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.823 -4.236 -3.475 1.00 0.86 C ATOM 0 H LEU A 4 12.284 -7.654 -1.371 1.00 0.66 H new ATOM 0 HA LEU A 4 11.171 -4.937 -1.541 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.123 -7.240 -3.481 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.409 -5.659 -3.732 1.00 0.65 H new ATOM 0 HG LEU A 4 13.356 -6.297 -3.457 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.471 -5.476 -5.782 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.395 -6.884 -5.626 1.00 0.96 H new ATOM 0 HD13 LEU A 4 11.706 -5.251 -5.780 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.762 -3.912 -3.923 1.00 0.86 H new ATOM 0 HD22 LEU A 4 12.011 -3.605 -3.836 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.891 -4.153 -2.390 1.00 0.86 H new ATOM 63 N LEU A 5 8.763 -5.672 -1.263 1.00 0.36 N ATOM 64 CA LEU A 5 7.501 -6.058 -0.695 1.00 0.36 C ATOM 65 C LEU A 5 6.715 -6.923 -1.624 1.00 0.39 C ATOM 66 O LEU A 5 6.755 -6.737 -2.847 1.00 0.52 O ATOM 67 CB LEU A 5 6.667 -4.862 -0.257 1.00 0.42 C ATOM 68 CG LEU A 5 7.301 -3.919 0.753 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.232 -3.060 1.400 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.112 -4.673 1.792 1.00 0.54 C ATOM 0 H LEU A 5 8.796 -4.732 -1.658 1.00 0.36 H new ATOM 0 HA LEU A 5 7.740 -6.638 0.196 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.408 -4.285 -1.145 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.734 -5.235 0.165 1.00 0.42 H new ATOM 0 HG LEU A 5 7.997 -3.268 0.224 1.00 0.51 H new ATOM 0 HD11 LEU A 5 6.694 -2.387 2.122 1.00 0.61 H new ATOM 0 HD12 LEU A 5 5.722 -2.476 0.634 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.511 -3.699 1.909 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.549 -3.965 2.496 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.463 -5.364 2.329 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.907 -5.231 1.298 1.00 0.54 H new ATOM 82 N THR A 6 6.037 -7.865 -1.054 1.00 0.36 N ATOM 83 CA THR A 6 5.215 -8.769 -1.782 1.00 0.41 C ATOM 84 C THR A 6 3.734 -8.479 -1.496 1.00 0.30 C ATOM 85 O THR A 6 3.417 -7.510 -0.772 1.00 0.24 O ATOM 86 CB THR A 6 5.550 -10.230 -1.394 1.00 0.56 C ATOM 87 OG1 THR A 6 5.390 -10.417 0.039 1.00 0.59 O ATOM 88 CG2 THR A 6 6.979 -10.589 -1.790 1.00 0.79 C ATOM 0 H THR A 6 6.041 -8.029 -0.047 1.00 0.36 H new ATOM 0 HA THR A 6 5.406 -8.635 -2.847 1.00 0.41 H new ATOM 0 HB THR A 6 4.862 -10.884 -1.930 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.862 -9.704 0.517 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.187 -11.620 -1.506 1.00 0.79 H new ATOM 0 HG22 THR A 6 7.096 -10.479 -2.868 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.676 -9.924 -1.280 1.00 0.79 H new ATOM 96 N THR A 7 2.846 -9.308 -2.038 1.00 0.33 N ATOM 97 CA THR A 7 1.414 -9.246 -1.765 1.00 0.32 C ATOM 98 C THR A 7 1.159 -9.295 -0.242 1.00 0.24 C ATOM 99 O THR A 7 0.319 -8.556 0.276 1.00 0.26 O ATOM 100 CB THR A 7 0.703 -10.425 -2.471 1.00 0.44 C ATOM 101 OG1 THR A 7 1.003 -10.372 -3.873 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.819 -10.381 -2.275 1.00 0.55 C ATOM 0 H THR A 7 3.105 -10.051 -2.687 1.00 0.33 H new ATOM 0 HA THR A 7 1.014 -8.308 -2.149 1.00 0.32 H new ATOM 0 HB THR A 7 1.065 -11.354 -2.030 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.559 -11.116 -4.331 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.276 -11.227 -2.788 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.050 -10.433 -1.211 1.00 0.55 H new ATOM 0 HG23 THR A 7 -1.212 -9.452 -2.687 1.00 0.55 H new ATOM 110 N ASP A 8 1.919 -10.155 0.459 1.00 0.28 N ATOM 111 CA ASP A 8 1.820 -10.303 1.924 1.00 0.31 C ATOM 112 C ASP A 8 2.051 -8.986 2.620 1.00 0.24 C ATOM 113 O ASP A 8 1.222 -8.542 3.405 1.00 0.28 O ATOM 114 CB ASP A 8 2.836 -11.325 2.472 1.00 0.46 C ATOM 115 CG ASP A 8 2.490 -12.761 2.180 1.00 0.94 C ATOM 116 OD1 ASP A 8 2.619 -13.194 1.013 1.00 1.61 O ATOM 117 OD2 ASP A 8 2.110 -13.500 3.115 1.00 1.01 O ATOM 0 H ASP A 8 2.616 -10.764 0.030 1.00 0.28 H new ATOM 0 HA ASP A 8 0.810 -10.660 2.126 1.00 0.31 H new ATOM 0 HB2 ASP A 8 3.817 -11.107 2.050 1.00 0.46 H new ATOM 0 HB3 ASP A 8 2.918 -11.195 3.551 1.00 0.46 H new ATOM 122 N ASP A 9 3.151 -8.334 2.269 1.00 0.24 N ATOM 123 CA ASP A 9 3.571 -7.078 2.915 1.00 0.28 C ATOM 124 C ASP A 9 2.556 -6.005 2.670 1.00 0.24 C ATOM 125 O ASP A 9 2.146 -5.289 3.588 1.00 0.30 O ATOM 126 CB ASP A 9 4.903 -6.586 2.343 1.00 0.38 C ATOM 127 CG ASP A 9 6.045 -7.542 2.523 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.733 -7.475 3.583 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.262 -8.389 1.636 1.00 1.78 O ATOM 0 H ASP A 9 3.781 -8.651 1.533 1.00 0.24 H new ATOM 0 HA ASP A 9 3.672 -7.281 3.981 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.776 -6.387 1.279 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.160 -5.638 2.816 1.00 0.38 H new ATOM 134 N LEU A 10 2.145 -5.908 1.423 1.00 0.19 N ATOM 135 CA LEU A 10 1.186 -4.925 0.989 1.00 0.23 C ATOM 136 C LEU A 10 -0.134 -5.124 1.736 1.00 0.24 C ATOM 137 O LEU A 10 -0.656 -4.195 2.342 1.00 0.30 O ATOM 138 CB LEU A 10 0.981 -5.066 -0.519 1.00 0.27 C ATOM 139 CG LEU A 10 0.132 -4.003 -1.208 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.780 -2.630 -1.087 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.065 -4.371 -2.662 1.00 0.47 C ATOM 0 H LEU A 10 2.474 -6.519 0.676 1.00 0.19 H new ATOM 0 HA LEU A 10 1.553 -3.922 1.207 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.962 -5.075 -0.994 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.525 -6.038 -0.709 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.840 -3.959 -0.717 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.156 -1.888 -1.586 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.884 -2.368 -0.034 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.764 -2.650 -1.554 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.672 -3.609 -3.151 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.905 -4.435 -3.156 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.570 -5.335 -2.728 1.00 0.47 H new ATOM 153 N ARG A 11 -0.635 -6.354 1.712 1.00 0.24 N ATOM 154 CA ARG A 11 -1.883 -6.721 2.370 1.00 0.30 C ATOM 155 C ARG A 11 -1.876 -6.344 3.839 1.00 0.33 C ATOM 156 O ARG A 11 -2.825 -5.746 4.324 1.00 0.38 O ATOM 157 CB ARG A 11 -2.158 -8.205 2.211 1.00 0.36 C ATOM 158 CG ARG A 11 -3.487 -8.647 2.772 1.00 0.51 C ATOM 159 CD ARG A 11 -3.738 -10.100 2.475 1.00 0.73 C ATOM 160 NE ARG A 11 -2.803 -10.999 3.150 1.00 0.97 N ATOM 161 CZ ARG A 11 -1.996 -11.867 2.525 1.00 1.30 C ATOM 162 NH1 ARG A 11 -1.798 -11.771 1.210 1.00 1.81 N ATOM 163 NH2 ARG A 11 -1.368 -12.794 3.211 1.00 1.98 N ATOM 0 H ARG A 11 -0.182 -7.131 1.231 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.682 -6.160 1.885 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.120 -8.460 1.152 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.363 -8.766 2.703 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.504 -8.484 3.850 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.286 -8.041 2.345 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.755 -10.354 2.774 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.672 -10.260 1.399 1.00 0.73 H new ATOM 0 HE ARG A 11 -2.762 -10.963 4.169 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -2.261 -11.035 0.677 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -1.183 -12.433 0.737 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -1.494 -12.854 4.221 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -0.754 -13.454 2.733 1.00 1.98 H new ATOM 177 N ARG A 12 -0.790 -6.683 4.525 1.00 0.33 N ATOM 178 CA ARG A 12 -0.637 -6.391 5.950 1.00 0.39 C ATOM 179 C ARG A 12 -0.818 -4.911 6.238 1.00 0.39 C ATOM 180 O ARG A 12 -1.468 -4.540 7.216 1.00 0.48 O ATOM 181 CB ARG A 12 0.714 -6.883 6.459 1.00 0.49 C ATOM 182 CG ARG A 12 0.836 -8.390 6.453 1.00 0.77 C ATOM 183 CD ARG A 12 2.228 -8.849 6.818 1.00 0.90 C ATOM 184 NE ARG A 12 2.313 -10.308 6.843 1.00 1.28 N ATOM 185 CZ ARG A 12 3.439 -11.026 6.763 1.00 1.77 C ATOM 186 NH1 ARG A 12 4.627 -10.427 6.612 1.00 2.08 N ATOM 187 NH2 ARG A 12 3.368 -12.345 6.780 1.00 2.59 N ATOM 0 H ARG A 12 0.008 -7.166 4.113 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.421 -6.927 6.484 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.505 -6.458 5.841 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.869 -6.516 7.473 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.119 -8.814 7.156 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.577 -8.770 5.465 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.945 -8.452 6.099 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.501 -8.449 7.794 1.00 0.90 H new ATOM 0 HE ARG A 12 1.437 -10.824 6.929 1.00 1.28 H new ATOM 0 HH11 ARG A 12 4.682 -9.410 6.556 1.00 2.08 H new ATOM 0 HH12 ARG A 12 5.477 -10.988 6.553 1.00 2.08 H new ATOM 0 HH21 ARG A 12 2.461 -12.806 6.854 1.00 2.59 H new ATOM 0 HH22 ARG A 12 4.220 -12.902 6.720 1.00 2.59 H new ATOM 201 N ALA A 13 -0.278 -4.080 5.364 1.00 0.35 N ATOM 202 CA ALA A 13 -0.401 -2.646 5.497 1.00 0.41 C ATOM 203 C ALA A 13 -1.834 -2.201 5.222 1.00 0.42 C ATOM 204 O ALA A 13 -2.399 -1.404 5.981 1.00 0.50 O ATOM 205 CB ALA A 13 0.560 -1.942 4.562 1.00 0.48 C ATOM 0 H ALA A 13 0.254 -4.382 4.548 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.148 -2.375 6.522 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.454 -0.863 4.676 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.582 -2.233 4.804 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.337 -2.222 3.533 1.00 0.48 H new ATOM 211 N LEU A 14 -2.426 -2.747 4.163 1.00 0.41 N ATOM 212 CA LEU A 14 -3.786 -2.390 3.783 1.00 0.49 C ATOM 213 C LEU A 14 -4.826 -2.810 4.810 1.00 0.55 C ATOM 214 O LEU A 14 -5.709 -2.044 5.125 1.00 0.72 O ATOM 215 CB LEU A 14 -4.177 -2.861 2.362 1.00 0.51 C ATOM 216 CG LEU A 14 -3.760 -1.953 1.181 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.267 -1.883 0.995 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.442 -2.383 -0.100 1.00 0.92 C ATOM 0 H LEU A 14 -1.985 -3.437 3.555 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.782 -1.300 3.759 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.742 -3.847 2.201 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.260 -2.981 2.331 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.091 -0.946 1.433 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.035 -1.232 0.152 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -1.806 -1.485 1.899 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -1.878 -2.882 0.799 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.132 -1.729 -0.915 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.163 -3.410 -0.334 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -5.523 -2.320 0.024 1.00 0.92 H new ATOM 230 N VAL A 15 -4.704 -4.005 5.360 1.00 0.51 N ATOM 231 CA VAL A 15 -5.659 -4.469 6.375 1.00 0.60 C ATOM 232 C VAL A 15 -5.625 -3.526 7.592 1.00 0.58 C ATOM 233 O VAL A 15 -6.664 -3.075 8.071 1.00 0.66 O ATOM 234 CB VAL A 15 -5.369 -5.932 6.828 1.00 0.69 C ATOM 235 CG1 VAL A 15 -6.377 -6.382 7.868 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.407 -6.886 5.647 1.00 0.76 C ATOM 0 H VAL A 15 -3.966 -4.671 5.131 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.651 -4.457 5.924 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.370 -5.948 7.264 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -6.156 -7.406 8.170 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -6.320 -5.727 8.737 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -7.381 -6.337 7.445 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -5.201 -7.900 5.991 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.393 -6.853 5.184 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.654 -6.591 4.917 1.00 0.76 H new ATOM 246 N GLU A 16 -4.424 -3.203 8.032 1.00 0.55 N ATOM 247 CA GLU A 16 -4.197 -2.307 9.165 1.00 0.63 C ATOM 248 C GLU A 16 -4.734 -0.896 8.912 1.00 0.58 C ATOM 249 O GLU A 16 -5.400 -0.309 9.775 1.00 0.67 O ATOM 250 CB GLU A 16 -2.711 -2.245 9.471 1.00 0.82 C ATOM 251 CG GLU A 16 -2.169 -3.471 10.171 1.00 1.16 C ATOM 252 CD GLU A 16 -2.569 -3.511 11.620 1.00 1.67 C ATOM 253 OE1 GLU A 16 -3.637 -4.067 11.920 1.00 2.43 O ATOM 254 OE2 GLU A 16 -1.842 -2.992 12.483 1.00 1.83 O ATOM 0 H GLU A 16 -3.564 -3.556 7.612 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.743 -2.711 10.018 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.165 -2.102 8.538 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.516 -1.370 10.091 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -2.534 -4.367 9.669 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -1.082 -3.482 10.094 1.00 1.16 H new ATOM 261 N SER A 17 -4.478 -0.368 7.730 1.00 0.52 N ATOM 262 CA SER A 17 -4.887 0.976 7.413 1.00 0.62 C ATOM 263 C SER A 17 -6.394 1.020 7.083 1.00 0.70 C ATOM 264 O SER A 17 -7.047 2.068 7.239 1.00 0.94 O ATOM 265 CB SER A 17 -4.019 1.547 6.280 1.00 0.67 C ATOM 266 OG SER A 17 -4.239 2.933 6.078 1.00 1.26 O ATOM 0 H SER A 17 -3.989 -0.853 6.978 1.00 0.52 H new ATOM 0 HA SER A 17 -4.735 1.612 8.285 1.00 0.62 H new ATOM 0 HB2 SER A 17 -2.967 1.379 6.511 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.232 1.009 5.356 1.00 0.67 H new ATOM 0 HG SER A 17 -4.122 3.148 5.129 1.00 1.26 H new ATOM 272 N ALA A 18 -6.949 -0.113 6.664 1.00 0.61 N ATOM 273 CA ALA A 18 -8.380 -0.216 6.454 1.00 0.79 C ATOM 274 C ALA A 18 -9.052 -0.218 7.811 1.00 0.97 C ATOM 275 O ALA A 18 -10.103 0.404 8.004 1.00 1.23 O ATOM 276 CB ALA A 18 -8.740 -1.479 5.679 1.00 0.82 C ATOM 0 H ALA A 18 -6.428 -0.967 6.465 1.00 0.61 H new ATOM 0 HA ALA A 18 -8.723 0.631 5.859 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -9.820 -1.525 5.539 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.249 -1.461 4.706 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.409 -2.355 6.237 1.00 0.82 H new ATOM 282 N GLY A 19 -8.433 -0.899 8.758 1.00 1.02 N ATOM 283 CA GLY A 19 -8.904 -0.856 10.097 1.00 1.29 C ATOM 284 C GLY A 19 -8.867 -2.175 10.789 1.00 1.50 C ATOM 285 O GLY A 19 -7.873 -2.910 10.729 1.00 2.02 O ATOM 0 H GLY A 19 -7.608 -1.481 8.609 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -8.303 -0.143 10.661 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -9.928 -0.483 10.100 1.00 1.29 H new ATOM 289 N GLU A 20 -9.946 -2.483 11.438 1.00 1.87 N ATOM 290 CA GLU A 20 -10.080 -3.709 12.188 1.00 2.49 C ATOM 291 C GLU A 20 -10.895 -4.712 11.396 1.00 2.35 C ATOM 292 O GLU A 20 -11.038 -5.872 11.766 1.00 2.86 O ATOM 293 CB GLU A 20 -10.727 -3.425 13.548 1.00 3.34 C ATOM 294 CG GLU A 20 -12.058 -2.684 13.450 1.00 3.88 C ATOM 295 CD GLU A 20 -12.712 -2.465 14.783 1.00 4.57 C ATOM 296 OE1 GLU A 20 -12.360 -1.494 15.475 1.00 4.79 O ATOM 297 OE2 GLU A 20 -13.585 -3.261 15.178 1.00 5.20 O ATOM 0 H GLU A 20 -10.774 -1.888 11.467 1.00 1.87 H new ATOM 0 HA GLU A 20 -9.092 -4.134 12.364 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -10.884 -4.369 14.070 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -10.037 -2.837 14.153 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -11.895 -1.719 12.970 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -12.735 -3.249 12.809 1.00 3.88 H new ATOM 304 N THR A 21 -11.420 -4.252 10.310 1.00 2.33 N ATOM 305 CA THR A 21 -12.258 -5.049 9.453 1.00 2.61 C ATOM 306 C THR A 21 -12.191 -4.527 8.018 1.00 2.41 C ATOM 307 O THR A 21 -12.656 -3.411 7.729 1.00 3.04 O ATOM 308 CB THR A 21 -13.729 -4.984 9.942 1.00 3.66 C ATOM 309 OG1 THR A 21 -13.815 -5.450 11.305 1.00 4.09 O ATOM 310 CG2 THR A 21 -14.629 -5.841 9.061 1.00 4.35 C ATOM 0 H THR A 21 -11.281 -3.297 9.980 1.00 2.33 H new ATOM 0 HA THR A 21 -11.904 -6.079 9.484 1.00 2.61 H new ATOM 0 HB THR A 21 -14.062 -3.948 9.885 1.00 3.66 H new ATOM 0 HG1 THR A 21 -14.746 -5.405 11.608 1.00 4.09 H new ATOM 0 HG21 THR A 21 -15.656 -5.781 9.422 1.00 4.35 H new ATOM 0 HG22 THR A 21 -14.584 -5.479 8.034 1.00 4.35 H new ATOM 0 HG23 THR A 21 -14.292 -6.877 9.096 1.00 4.35 H new ATOM 318 N ASP A 22 -11.547 -5.269 7.155 1.00 2.19 N ATOM 319 CA ASP A 22 -11.546 -4.941 5.738 1.00 2.51 C ATOM 320 C ASP A 22 -12.875 -5.415 5.172 1.00 2.23 C ATOM 321 O ASP A 22 -13.337 -6.515 5.494 1.00 2.75 O ATOM 322 CB ASP A 22 -10.355 -5.588 4.975 1.00 3.10 C ATOM 323 CG ASP A 22 -10.433 -7.105 4.850 1.00 3.82 C ATOM 324 OD1 ASP A 22 -10.248 -7.815 5.867 1.00 4.46 O ATOM 325 OD2 ASP A 22 -10.677 -7.619 3.746 1.00 4.16 O ATOM 0 H ASP A 22 -11.015 -6.104 7.400 1.00 2.19 H new ATOM 0 HA ASP A 22 -11.423 -3.865 5.612 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -10.303 -5.156 3.976 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -9.428 -5.325 5.485 1.00 3.10 H new ATOM 330 N GLY A 23 -13.511 -4.594 4.386 1.00 2.01 N ATOM 331 CA GLY A 23 -14.811 -4.940 3.875 1.00 2.24 C ATOM 332 C GLY A 23 -14.766 -5.194 2.406 1.00 1.82 C ATOM 333 O GLY A 23 -15.490 -4.562 1.632 1.00 2.14 O ATOM 0 H GLY A 23 -13.156 -3.686 4.085 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -15.182 -5.827 4.388 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -15.513 -4.133 4.085 1.00 2.24 H new ATOM 337 N THR A 24 -13.928 -6.104 2.014 1.00 1.57 N ATOM 338 CA THR A 24 -13.735 -6.425 0.636 1.00 1.43 C ATOM 339 C THR A 24 -12.996 -7.766 0.579 1.00 1.45 C ATOM 340 O THR A 24 -12.978 -8.497 1.577 1.00 1.91 O ATOM 341 CB THR A 24 -12.911 -5.282 -0.064 1.00 1.62 C ATOM 342 OG1 THR A 24 -12.809 -5.481 -1.490 1.00 2.20 O ATOM 343 CG2 THR A 24 -11.509 -5.159 0.547 1.00 1.81 C ATOM 0 H THR A 24 -13.351 -6.652 2.653 1.00 1.57 H new ATOM 0 HA THR A 24 -14.686 -6.508 0.109 1.00 1.43 H new ATOM 0 HB THR A 24 -13.456 -4.354 0.107 1.00 1.62 H new ATOM 0 HG1 THR A 24 -13.262 -4.748 -1.956 1.00 2.20 H new ATOM 0 HG21 THR A 24 -10.962 -4.362 0.044 1.00 1.81 H new ATOM 0 HG22 THR A 24 -11.594 -4.927 1.609 1.00 1.81 H new ATOM 0 HG23 THR A 24 -10.974 -6.101 0.423 1.00 1.81 H new ATOM 351 N ASP A 25 -12.394 -8.084 -0.533 1.00 1.48 N ATOM 352 CA ASP A 25 -11.576 -9.265 -0.630 1.00 1.62 C ATOM 353 C ASP A 25 -10.151 -8.813 -0.820 1.00 1.23 C ATOM 354 O ASP A 25 -9.697 -8.557 -1.936 1.00 1.29 O ATOM 355 CB ASP A 25 -12.023 -10.198 -1.753 1.00 2.15 C ATOM 356 CG ASP A 25 -11.256 -11.499 -1.737 1.00 2.70 C ATOM 357 OD1 ASP A 25 -11.386 -12.255 -0.758 1.00 3.20 O ATOM 358 OD2 ASP A 25 -10.507 -11.789 -2.691 1.00 3.10 O ATOM 0 H ASP A 25 -12.454 -7.538 -1.393 1.00 1.48 H new ATOM 0 HA ASP A 25 -11.674 -9.851 0.284 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -13.089 -10.403 -1.653 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -11.882 -9.704 -2.714 1.00 2.15 H new ATOM 363 N LEU A 26 -9.482 -8.635 0.285 1.00 1.06 N ATOM 364 CA LEU A 26 -8.167 -8.046 0.309 1.00 0.81 C ATOM 365 C LEU A 26 -7.100 -9.119 0.515 1.00 0.84 C ATOM 366 O LEU A 26 -5.905 -8.849 0.476 1.00 1.12 O ATOM 367 CB LEU A 26 -8.134 -7.011 1.447 1.00 0.93 C ATOM 368 CG LEU A 26 -6.923 -6.090 1.524 1.00 0.93 C ATOM 369 CD1 LEU A 26 -6.838 -5.230 0.277 1.00 1.12 C ATOM 370 CD2 LEU A 26 -7.016 -5.221 2.759 1.00 1.24 C ATOM 0 H LEU A 26 -9.836 -8.897 1.205 1.00 1.06 H new ATOM 0 HA LEU A 26 -7.954 -7.559 -0.643 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -9.025 -6.389 1.362 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -8.209 -7.548 2.393 1.00 0.93 H new ATOM 0 HG LEU A 26 -6.019 -6.696 1.587 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -5.968 -4.576 0.344 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -6.744 -5.870 -0.600 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -7.741 -4.625 0.190 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -6.147 -4.565 2.808 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -7.923 -4.619 2.713 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -7.045 -5.853 3.647 1.00 1.24 H new ATOM 382 N SER A 27 -7.525 -10.328 0.726 1.00 0.86 N ATOM 383 CA SER A 27 -6.605 -11.398 0.939 1.00 0.94 C ATOM 384 C SER A 27 -6.509 -12.299 -0.277 1.00 1.11 C ATOM 385 O SER A 27 -7.397 -12.296 -1.134 1.00 1.82 O ATOM 386 CB SER A 27 -6.943 -12.151 2.210 1.00 1.29 C ATOM 387 OG SER A 27 -8.336 -12.420 2.289 1.00 1.78 O ATOM 0 H SER A 27 -8.509 -10.596 0.755 1.00 0.86 H new ATOM 0 HA SER A 27 -5.610 -10.976 1.078 1.00 0.94 H new ATOM 0 HB2 SER A 27 -6.386 -13.088 2.241 1.00 1.29 H new ATOM 0 HB3 SER A 27 -6.632 -11.567 3.076 1.00 1.29 H new ATOM 0 HG SER A 27 -8.529 -12.908 3.117 1.00 1.78 H new ATOM 393 N GLY A 28 -5.439 -13.061 -0.356 1.00 1.06 N ATOM 394 CA GLY A 28 -5.196 -13.872 -1.512 1.00 1.30 C ATOM 395 C GLY A 28 -4.490 -13.057 -2.556 1.00 1.12 C ATOM 396 O GLY A 28 -3.260 -13.001 -2.580 1.00 1.42 O ATOM 0 H GLY A 28 -4.727 -13.130 0.372 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -4.592 -14.738 -1.241 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -6.138 -14.252 -1.907 1.00 1.30 H new ATOM 400 N ASP A 29 -5.256 -12.391 -3.369 1.00 1.15 N ATOM 401 CA ASP A 29 -4.742 -11.528 -4.411 1.00 1.06 C ATOM 402 C ASP A 29 -5.665 -10.344 -4.570 1.00 0.95 C ATOM 403 O ASP A 29 -6.884 -10.496 -4.505 1.00 1.46 O ATOM 404 CB ASP A 29 -4.586 -12.292 -5.723 1.00 1.33 C ATOM 405 CG ASP A 29 -4.217 -11.410 -6.896 1.00 1.79 C ATOM 406 OD1 ASP A 29 -3.391 -10.482 -6.751 1.00 2.27 O ATOM 407 OD2 ASP A 29 -4.766 -11.622 -7.998 1.00 2.15 O ATOM 0 H ASP A 29 -6.275 -12.428 -3.332 1.00 1.15 H new ATOM 0 HA ASP A 29 -3.752 -11.170 -4.130 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -3.820 -13.058 -5.599 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -5.520 -12.808 -5.947 1.00 1.33 H new ATOM 412 N PHE A 30 -5.092 -9.180 -4.746 1.00 0.50 N ATOM 413 CA PHE A 30 -5.858 -7.942 -4.806 1.00 0.39 C ATOM 414 C PHE A 30 -5.073 -6.858 -5.536 1.00 0.32 C ATOM 415 O PHE A 30 -5.481 -5.699 -5.564 1.00 0.31 O ATOM 416 CB PHE A 30 -6.166 -7.462 -3.365 1.00 0.39 C ATOM 417 CG PHE A 30 -4.935 -7.135 -2.542 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.181 -8.139 -1.962 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.531 -5.824 -2.366 1.00 0.41 C ATOM 420 CE1 PHE A 30 -3.060 -7.843 -1.225 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.408 -5.525 -1.630 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.673 -6.535 -1.060 1.00 0.53 C ATOM 0 H PHE A 30 -4.085 -9.055 -4.852 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.785 -8.130 -5.348 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.800 -6.577 -3.417 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.738 -8.235 -2.851 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.477 -9.170 -2.090 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.104 -5.025 -2.812 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.483 -8.638 -0.776 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.105 -4.497 -1.501 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.791 -6.301 -0.482 1.00 0.53 H new ATOM 432 N LEU A 31 -3.953 -7.247 -6.124 1.00 0.33 N ATOM 433 CA LEU A 31 -3.018 -6.318 -6.763 1.00 0.32 C ATOM 434 C LEU A 31 -3.678 -5.400 -7.790 1.00 0.28 C ATOM 435 O LEU A 31 -3.479 -4.184 -7.764 1.00 0.33 O ATOM 436 CB LEU A 31 -1.858 -7.072 -7.406 1.00 0.41 C ATOM 437 CG LEU A 31 -1.008 -7.926 -6.469 1.00 0.61 C ATOM 438 CD1 LEU A 31 0.089 -8.605 -7.245 1.00 1.29 C ATOM 439 CD2 LEU A 31 -0.423 -7.092 -5.335 1.00 0.98 C ATOM 0 H LEU A 31 -3.660 -8.223 -6.175 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.642 -5.678 -5.965 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.260 -7.717 -8.188 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.207 -6.347 -7.894 1.00 0.41 H new ATOM 0 HG LEU A 31 -1.651 -8.685 -6.023 1.00 0.61 H new ATOM 0 HD11 LEU A 31 0.691 -9.212 -6.569 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -0.349 -9.243 -8.013 1.00 1.29 H new ATOM 0 HD13 LEU A 31 0.721 -7.852 -7.716 1.00 1.29 H new ATOM 0 HD21 LEU A 31 0.177 -7.730 -4.686 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.205 -6.304 -5.750 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.232 -6.645 -4.757 1.00 0.98 H new ATOM 451 N ASP A 32 -4.477 -5.977 -8.663 1.00 0.32 N ATOM 452 CA ASP A 32 -5.097 -5.224 -9.755 1.00 0.43 C ATOM 453 C ASP A 32 -6.502 -4.766 -9.412 1.00 0.36 C ATOM 454 O ASP A 32 -7.254 -4.344 -10.292 1.00 0.42 O ATOM 455 CB ASP A 32 -5.125 -6.035 -11.063 1.00 0.69 C ATOM 456 CG ASP A 32 -3.757 -6.344 -11.629 1.00 1.22 C ATOM 457 OD1 ASP A 32 -3.086 -5.432 -12.127 1.00 1.74 O ATOM 458 OD2 ASP A 32 -3.298 -7.499 -11.538 1.00 1.99 O ATOM 0 H ASP A 32 -4.718 -6.968 -8.645 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.475 -4.341 -9.901 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -5.653 -6.972 -10.885 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -5.698 -5.483 -11.808 1.00 0.69 H new ATOM 463 N LEU A 33 -6.863 -4.826 -8.155 1.00 0.32 N ATOM 464 CA LEU A 33 -8.169 -4.354 -7.745 1.00 0.33 C ATOM 465 C LEU A 33 -8.124 -2.858 -7.557 1.00 0.31 C ATOM 466 O LEU A 33 -7.114 -2.321 -7.141 1.00 0.45 O ATOM 467 CB LEU A 33 -8.627 -5.017 -6.450 1.00 0.40 C ATOM 468 CG LEU A 33 -8.803 -6.529 -6.485 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.300 -7.009 -5.149 1.00 0.57 C ATOM 470 CD2 LEU A 33 -9.767 -6.939 -7.583 1.00 0.58 C ATOM 0 H LEU A 33 -6.281 -5.192 -7.402 1.00 0.32 H new ATOM 0 HA LEU A 33 -8.883 -4.615 -8.526 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.905 -4.776 -5.670 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.576 -4.570 -6.155 1.00 0.40 H new ATOM 0 HG LEU A 33 -7.837 -6.988 -6.698 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.426 -8.091 -5.175 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.578 -6.746 -4.376 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.257 -6.538 -4.926 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -9.875 -8.024 -7.586 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -10.739 -6.478 -7.405 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.381 -6.610 -8.548 1.00 0.58 H new ATOM 482 N ARG A 34 -9.195 -2.189 -7.861 1.00 0.28 N ATOM 483 CA ARG A 34 -9.240 -0.756 -7.689 1.00 0.31 C ATOM 484 C ARG A 34 -9.444 -0.438 -6.230 1.00 0.29 C ATOM 485 O ARG A 34 -10.212 -1.132 -5.549 1.00 0.34 O ATOM 486 CB ARG A 34 -10.368 -0.132 -8.508 1.00 0.48 C ATOM 487 CG ARG A 34 -10.163 -0.180 -10.009 1.00 0.73 C ATOM 488 CD ARG A 34 -11.355 0.425 -10.736 1.00 1.02 C ATOM 489 NE ARG A 34 -12.574 -0.389 -10.582 1.00 1.90 N ATOM 490 CZ ARG A 34 -13.791 0.073 -10.275 1.00 2.41 C ATOM 491 NH1 ARG A 34 -13.963 1.342 -9.962 1.00 2.17 N ATOM 492 NH2 ARG A 34 -14.826 -0.752 -10.254 1.00 3.51 N ATOM 0 H ARG A 34 -10.051 -2.605 -8.229 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.296 -0.338 -8.039 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -11.300 -0.643 -8.266 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.487 0.908 -8.204 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -9.256 0.363 -10.274 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -10.022 -1.212 -10.329 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -11.540 1.429 -10.354 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.119 0.526 -11.795 1.00 1.02 H new ATOM 0 HE ARG A 34 -12.481 -1.395 -10.722 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -13.165 1.978 -9.953 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -14.894 1.688 -9.729 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -14.695 -1.740 -10.472 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -15.754 -0.400 -10.020 1.00 3.51 H new ATOM 506 N PHE A 35 -8.744 0.576 -5.733 1.00 0.30 N ATOM 507 CA PHE A 35 -8.920 1.032 -4.352 1.00 0.34 C ATOM 508 C PHE A 35 -10.396 1.280 -4.020 1.00 0.38 C ATOM 509 O PHE A 35 -10.861 0.943 -2.931 1.00 0.41 O ATOM 510 CB PHE A 35 -8.050 2.249 -4.019 1.00 0.38 C ATOM 511 CG PHE A 35 -6.576 1.939 -3.915 1.00 0.37 C ATOM 512 CD1 PHE A 35 -6.086 1.210 -2.846 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.691 2.374 -4.870 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.742 0.925 -2.734 1.00 0.42 C ATOM 515 CE2 PHE A 35 -4.341 2.095 -4.767 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.868 1.369 -3.698 1.00 0.44 C ATOM 0 H PHE A 35 -8.048 1.100 -6.263 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.574 0.221 -3.712 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -8.198 3.009 -4.786 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -8.388 2.678 -3.076 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.768 0.858 -2.086 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -6.055 2.942 -5.714 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.377 0.355 -1.892 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.657 2.447 -5.526 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.814 1.149 -3.617 1.00 0.44 H new ATOM 526 N GLU A 36 -11.128 1.811 -4.998 1.00 0.44 N ATOM 527 CA GLU A 36 -12.581 2.051 -4.903 1.00 0.52 C ATOM 528 C GLU A 36 -13.326 0.786 -4.463 1.00 0.52 C ATOM 529 O GLU A 36 -14.244 0.835 -3.662 1.00 0.58 O ATOM 530 CB GLU A 36 -13.122 2.427 -6.274 1.00 0.64 C ATOM 531 CG GLU A 36 -12.467 3.621 -6.908 1.00 1.23 C ATOM 532 CD GLU A 36 -12.961 3.844 -8.306 1.00 1.60 C ATOM 533 OE1 GLU A 36 -13.983 4.530 -8.490 1.00 1.97 O ATOM 534 OE2 GLU A 36 -12.352 3.315 -9.252 1.00 2.06 O ATOM 0 H GLU A 36 -10.730 2.093 -5.894 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.734 2.847 -4.174 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.008 1.572 -6.940 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -14.191 2.622 -6.186 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -12.665 4.508 -6.306 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -11.386 3.479 -6.922 1.00 1.23 H new ATOM 541 N ASP A 37 -12.884 -0.335 -4.980 1.00 0.49 N ATOM 542 CA ASP A 37 -13.532 -1.625 -4.779 1.00 0.55 C ATOM 543 C ASP A 37 -13.051 -2.323 -3.498 1.00 0.55 C ATOM 544 O ASP A 37 -13.722 -3.211 -2.962 1.00 0.66 O ATOM 545 CB ASP A 37 -13.293 -2.493 -6.022 1.00 0.62 C ATOM 546 CG ASP A 37 -13.840 -3.896 -5.926 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.081 -4.075 -5.850 1.00 0.92 O ATOM 548 OD2 ASP A 37 -13.045 -4.854 -5.977 1.00 0.86 O ATOM 0 H ASP A 37 -12.049 -0.386 -5.564 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.602 -1.467 -4.646 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.743 -2.001 -6.884 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.221 -2.548 -6.209 1.00 0.62 H new ATOM 553 N ILE A 38 -11.899 -1.918 -2.996 1.00 0.47 N ATOM 554 CA ILE A 38 -11.378 -2.501 -1.764 1.00 0.51 C ATOM 555 C ILE A 38 -11.598 -1.592 -0.552 1.00 0.53 C ATOM 556 O ILE A 38 -11.006 -1.791 0.514 1.00 0.59 O ATOM 557 CB ILE A 38 -9.891 -2.938 -1.854 1.00 0.50 C ATOM 558 CG1 ILE A 38 -8.984 -1.743 -2.161 1.00 0.44 C ATOM 559 CG2 ILE A 38 -9.727 -4.036 -2.896 1.00 0.56 C ATOM 560 CD1 ILE A 38 -7.514 -2.085 -2.234 1.00 0.47 C ATOM 0 H ILE A 38 -11.309 -1.197 -3.413 1.00 0.47 H new ATOM 0 HA ILE A 38 -11.962 -3.410 -1.623 1.00 0.51 H new ATOM 0 HB ILE A 38 -9.589 -3.337 -0.886 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.291 -1.302 -3.110 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.131 -0.983 -1.394 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -8.680 -4.334 -2.949 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -10.335 -4.897 -2.617 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.049 -3.665 -3.869 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -6.941 -1.184 -2.455 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.188 -2.497 -1.279 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.350 -2.821 -3.021 1.00 0.47 H new ATOM 572 N GLY A 39 -12.507 -0.653 -0.699 1.00 0.54 N ATOM 573 CA GLY A 39 -12.841 0.258 0.380 1.00 0.61 C ATOM 574 C GLY A 39 -11.720 1.202 0.721 1.00 0.55 C ATOM 575 O GLY A 39 -11.530 1.571 1.881 1.00 0.69 O ATOM 0 H GLY A 39 -13.032 -0.498 -1.560 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.722 0.835 0.101 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.105 -0.319 1.266 1.00 0.61 H new ATOM 579 N TYR A 40 -10.992 1.599 -0.265 1.00 0.45 N ATOM 580 CA TYR A 40 -9.882 2.457 -0.063 1.00 0.48 C ATOM 581 C TYR A 40 -10.061 3.766 -0.747 1.00 0.56 C ATOM 582 O TYR A 40 -10.452 3.838 -1.916 1.00 0.64 O ATOM 583 CB TYR A 40 -8.606 1.809 -0.553 1.00 0.43 C ATOM 584 CG TYR A 40 -7.674 1.394 0.530 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.026 0.430 1.458 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.429 1.970 0.620 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.148 0.061 2.451 1.00 1.00 C ATOM 588 CE2 TYR A 40 -5.553 1.611 1.598 1.00 0.99 C ATOM 589 CZ TYR A 40 -5.911 0.663 2.513 1.00 1.11 C ATOM 590 OH TYR A 40 -5.027 0.306 3.475 1.00 1.40 O ATOM 0 H TYR A 40 -11.153 1.335 -1.237 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.813 2.635 1.010 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.863 0.934 -1.150 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -8.089 2.505 -1.214 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -8.998 -0.037 1.402 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.140 2.722 -0.099 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -7.426 -0.692 3.174 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -4.579 2.074 1.650 1.00 0.99 H new ATOM 0 HH TYR A 40 -4.210 0.839 3.383 1.00 1.40 H new ATOM 600 N ASP A 41 -9.799 4.790 -0.023 1.00 0.74 N ATOM 601 CA ASP A 41 -9.751 6.105 -0.565 1.00 0.95 C ATOM 602 C ASP A 41 -8.367 6.576 -0.408 1.00 1.01 C ATOM 603 O ASP A 41 -7.552 5.913 0.239 1.00 1.89 O ATOM 604 CB ASP A 41 -10.639 7.097 0.167 1.00 1.15 C ATOM 605 CG ASP A 41 -12.127 6.899 -0.024 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.660 5.904 0.512 1.00 2.16 O ATOM 607 OD2 ASP A 41 -12.779 7.688 -0.756 1.00 2.07 O ATOM 0 H ASP A 41 -9.608 4.743 0.978 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.095 6.053 -1.598 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -10.416 7.041 1.232 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.378 8.103 -0.161 1.00 1.15 H new ATOM 612 N SER A 42 -8.133 7.726 -0.930 1.00 0.71 N ATOM 613 CA SER A 42 -6.875 8.431 -0.901 1.00 0.66 C ATOM 614 C SER A 42 -6.289 8.502 0.518 1.00 0.49 C ATOM 615 O SER A 42 -5.110 8.305 0.713 1.00 0.45 O ATOM 616 CB SER A 42 -7.160 9.823 -1.391 1.00 0.86 C ATOM 617 OG SER A 42 -8.291 10.333 -0.609 1.00 1.19 O ATOM 0 H SER A 42 -8.857 8.246 -1.426 1.00 0.71 H new ATOM 0 HA SER A 42 -6.144 7.912 -1.521 1.00 0.66 H new ATOM 0 HB2 SER A 42 -6.286 10.462 -1.266 1.00 0.86 H new ATOM 0 HB3 SER A 42 -7.399 9.815 -2.454 1.00 0.86 H new ATOM 622 N LEU A 43 -7.154 8.717 1.487 1.00 0.49 N ATOM 623 CA LEU A 43 -6.765 8.934 2.870 1.00 0.49 C ATOM 624 C LEU A 43 -6.087 7.701 3.462 1.00 0.42 C ATOM 625 O LEU A 43 -4.914 7.759 3.840 1.00 0.41 O ATOM 626 CB LEU A 43 -7.997 9.333 3.677 1.00 0.65 C ATOM 627 CG LEU A 43 -8.754 10.557 3.142 1.00 0.79 C ATOM 628 CD1 LEU A 43 -10.014 10.804 3.939 1.00 1.12 C ATOM 629 CD2 LEU A 43 -7.865 11.794 3.157 1.00 1.03 C ATOM 0 H LEU A 43 -8.162 8.747 1.337 1.00 0.49 H new ATOM 0 HA LEU A 43 -6.033 9.741 2.911 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.682 8.486 3.709 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -7.691 9.534 4.704 1.00 0.65 H new ATOM 0 HG LEU A 43 -9.037 10.349 2.110 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -10.532 11.676 3.540 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -10.665 9.932 3.870 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -9.755 10.982 4.983 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -8.423 12.648 2.774 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -7.544 11.999 4.178 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -6.990 11.621 2.530 1.00 1.03 H new ATOM 641 N ALA A 44 -6.794 6.579 3.495 1.00 0.40 N ATOM 642 CA ALA A 44 -6.216 5.333 4.003 1.00 0.38 C ATOM 643 C ALA A 44 -5.061 4.895 3.121 1.00 0.32 C ATOM 644 O ALA A 44 -4.087 4.328 3.584 1.00 0.33 O ATOM 645 CB ALA A 44 -7.264 4.233 4.079 1.00 0.43 C ATOM 0 H ALA A 44 -7.761 6.501 3.180 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.845 5.518 5.011 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -6.806 3.320 4.459 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.068 4.542 4.747 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.670 4.048 3.085 1.00 0.43 H new ATOM 651 N LEU A 45 -5.168 5.205 1.853 1.00 0.30 N ATOM 652 CA LEU A 45 -4.171 4.847 0.869 1.00 0.28 C ATOM 653 C LEU A 45 -2.834 5.571 1.207 1.00 0.28 C ATOM 654 O LEU A 45 -1.758 4.951 1.228 1.00 0.29 O ATOM 655 CB LEU A 45 -4.716 5.261 -0.505 1.00 0.30 C ATOM 656 CG LEU A 45 -4.265 4.498 -1.749 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.815 5.165 -2.989 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.758 4.325 -1.836 1.00 0.37 C ATOM 0 H LEU A 45 -5.960 5.720 1.468 1.00 0.30 H new ATOM 0 HA LEU A 45 -3.968 3.776 0.866 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.803 5.198 -0.459 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.463 6.311 -0.655 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.671 3.489 -1.672 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.489 4.616 -3.872 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.904 5.171 -2.946 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.449 6.190 -3.044 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.507 3.775 -2.743 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.280 5.304 -1.861 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.405 3.771 -0.966 1.00 0.37 H new ATOM 670 N MET A 46 -2.921 6.860 1.515 1.00 0.30 N ATOM 671 CA MET A 46 -1.743 7.650 1.899 1.00 0.34 C ATOM 672 C MET A 46 -1.205 7.166 3.226 1.00 0.34 C ATOM 673 O MET A 46 0.007 7.092 3.430 1.00 0.40 O ATOM 674 CB MET A 46 -2.067 9.151 1.995 1.00 0.39 C ATOM 675 CG MET A 46 -2.486 9.790 0.686 1.00 0.45 C ATOM 676 SD MET A 46 -2.939 11.530 0.850 1.00 0.68 S ATOM 677 CE MET A 46 -4.268 11.427 2.047 1.00 1.44 C ATOM 0 H MET A 46 -3.794 7.387 1.508 1.00 0.30 H new ATOM 0 HA MET A 46 -0.991 7.515 1.121 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.865 9.291 2.725 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.191 9.675 2.376 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.670 9.701 -0.031 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.332 9.239 0.276 1.00 0.45 H new ATOM 0 HE1 MET A 46 -4.687 12.420 2.211 1.00 1.44 H new ATOM 0 HE2 MET A 46 -5.046 10.762 1.671 1.00 1.44 H new ATOM 0 HE3 MET A 46 -3.881 11.036 2.988 1.00 1.44 H new ATOM 687 N GLU A 47 -2.111 6.813 4.119 1.00 0.32 N ATOM 688 CA GLU A 47 -1.759 6.327 5.439 1.00 0.37 C ATOM 689 C GLU A 47 -0.991 4.999 5.329 1.00 0.32 C ATOM 690 O GLU A 47 -0.029 4.745 6.077 1.00 0.33 O ATOM 691 CB GLU A 47 -3.020 6.138 6.261 1.00 0.45 C ATOM 692 CG GLU A 47 -2.758 5.922 7.733 1.00 0.85 C ATOM 693 CD GLU A 47 -2.136 7.125 8.402 1.00 1.22 C ATOM 694 OE1 GLU A 47 -0.940 7.360 8.202 1.00 1.82 O ATOM 695 OE2 GLU A 47 -2.843 7.862 9.134 1.00 1.89 O ATOM 0 H GLU A 47 -3.116 6.856 3.948 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.116 7.057 5.931 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.657 7.014 6.139 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.573 5.284 5.870 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.696 5.680 8.232 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.099 5.062 7.857 1.00 0.85 H new ATOM 702 N THR A 48 -1.409 4.182 4.381 1.00 0.31 N ATOM 703 CA THR A 48 -0.760 2.927 4.068 1.00 0.30 C ATOM 704 C THR A 48 0.684 3.194 3.654 1.00 0.29 C ATOM 705 O THR A 48 1.625 2.617 4.226 1.00 0.32 O ATOM 706 CB THR A 48 -1.506 2.254 2.904 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.850 1.965 3.303 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.798 0.983 2.452 1.00 0.33 C ATOM 0 H THR A 48 -2.223 4.377 3.798 1.00 0.31 H new ATOM 0 HA THR A 48 -0.774 2.276 4.942 1.00 0.30 H new ATOM 0 HB THR A 48 -1.519 2.940 2.057 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.421 2.739 3.115 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.351 0.532 1.628 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.211 1.227 2.121 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.747 0.280 3.283 1.00 0.33 H new ATOM 716 N ALA A 49 0.848 4.077 2.674 1.00 0.29 N ATOM 717 CA ALA A 49 2.157 4.448 2.177 1.00 0.30 C ATOM 718 C ALA A 49 3.032 4.965 3.313 1.00 0.27 C ATOM 719 O ALA A 49 4.150 4.498 3.490 1.00 0.27 O ATOM 720 CB ALA A 49 2.025 5.489 1.082 1.00 0.36 C ATOM 0 H ALA A 49 0.075 4.551 2.207 1.00 0.29 H new ATOM 0 HA ALA A 49 2.636 3.564 1.756 1.00 0.30 H new ATOM 0 HB1 ALA A 49 3.015 5.760 0.716 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.434 5.081 0.262 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.530 6.375 1.480 1.00 0.36 H new ATOM 726 N ALA A 50 2.478 5.878 4.115 1.00 0.29 N ATOM 727 CA ALA A 50 3.179 6.478 5.257 1.00 0.31 C ATOM 728 C ALA A 50 3.650 5.424 6.262 1.00 0.30 C ATOM 729 O ALA A 50 4.743 5.540 6.840 1.00 0.32 O ATOM 730 CB ALA A 50 2.301 7.509 5.944 1.00 0.39 C ATOM 0 H ALA A 50 1.527 6.224 3.991 1.00 0.29 H new ATOM 0 HA ALA A 50 4.066 6.974 4.864 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.839 7.941 6.787 1.00 0.39 H new ATOM 0 HB2 ALA A 50 2.043 8.297 5.236 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.390 7.030 6.302 1.00 0.39 H new ATOM 736 N ARG A 51 2.830 4.400 6.478 1.00 0.32 N ATOM 737 CA ARG A 51 3.214 3.303 7.346 1.00 0.37 C ATOM 738 C ARG A 51 4.412 2.569 6.756 1.00 0.32 C ATOM 739 O ARG A 51 5.413 2.366 7.430 1.00 0.36 O ATOM 740 CB ARG A 51 2.055 2.314 7.595 1.00 0.51 C ATOM 741 CG ARG A 51 2.515 1.041 8.301 1.00 1.04 C ATOM 742 CD ARG A 51 1.413 0.014 8.471 1.00 1.15 C ATOM 743 NE ARG A 51 0.545 0.248 9.637 1.00 1.91 N ATOM 744 CZ ARG A 51 0.346 -0.696 10.585 1.00 2.60 C ATOM 745 NH1 ARG A 51 1.135 -1.772 10.621 1.00 2.86 N ATOM 746 NH2 ARG A 51 -0.589 -0.548 11.521 1.00 3.47 N ATOM 0 H ARG A 51 1.902 4.311 6.065 1.00 0.32 H new ATOM 0 HA ARG A 51 3.483 3.732 8.311 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.288 2.802 8.196 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.595 2.051 6.643 1.00 0.51 H new ATOM 0 HG2 ARG A 51 3.332 0.595 7.734 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.913 1.302 9.282 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.799 0.004 7.571 1.00 1.15 H new ATOM 0 HD3 ARG A 51 1.863 -0.975 8.560 1.00 1.15 H new ATOM 0 HE ARG A 51 0.079 1.150 9.733 1.00 1.91 H new ATOM 0 HH11 ARG A 51 1.883 -1.879 9.936 1.00 2.86 H new ATOM 0 HH12 ARG A 51 0.990 -2.487 11.334 1.00 2.86 H new ATOM 0 HH21 ARG A 51 -1.171 0.289 11.532 1.00 3.47 H new ATOM 0 HH22 ARG A 51 -0.723 -1.272 12.227 1.00 3.47 H new ATOM 760 N LEU A 52 4.320 2.221 5.479 1.00 0.27 N ATOM 761 CA LEU A 52 5.384 1.478 4.812 1.00 0.25 C ATOM 762 C LEU A 52 6.668 2.288 4.710 1.00 0.21 C ATOM 763 O LEU A 52 7.765 1.712 4.712 1.00 0.23 O ATOM 764 CB LEU A 52 4.937 0.935 3.449 1.00 0.29 C ATOM 765 CG LEU A 52 3.763 -0.050 3.495 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.416 -0.536 2.101 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.093 -1.230 4.401 1.00 0.44 C ATOM 0 H LEU A 52 3.521 2.440 4.884 1.00 0.27 H new ATOM 0 HA LEU A 52 5.606 0.614 5.438 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.661 1.776 2.813 1.00 0.29 H new ATOM 0 HB3 LEU A 52 5.786 0.442 2.975 1.00 0.29 H new ATOM 0 HG LEU A 52 2.896 0.470 3.903 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.581 -1.234 2.156 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.138 0.314 1.478 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.280 -1.038 1.665 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.249 -1.919 4.422 1.00 0.44 H new ATOM 0 HD22 LEU A 52 4.974 -1.746 4.020 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.292 -0.869 5.410 1.00 0.44 H new ATOM 779 N GLU A 53 6.536 3.615 4.640 1.00 0.19 N ATOM 780 CA GLU A 53 7.686 4.507 4.656 1.00 0.19 C ATOM 781 C GLU A 53 8.497 4.269 5.908 1.00 0.23 C ATOM 782 O GLU A 53 9.661 3.884 5.844 1.00 0.26 O ATOM 783 CB GLU A 53 7.280 5.972 4.644 1.00 0.22 C ATOM 784 CG GLU A 53 6.520 6.460 3.434 1.00 0.25 C ATOM 785 CD GLU A 53 6.275 7.949 3.518 1.00 0.33 C ATOM 786 OE1 GLU A 53 5.422 8.382 4.296 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.974 8.719 2.821 1.00 0.38 O ATOM 0 H GLU A 53 5.637 4.092 4.571 1.00 0.19 H new ATOM 0 HA GLU A 53 8.264 4.292 3.757 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.670 6.162 5.527 1.00 0.22 H new ATOM 0 HB3 GLU A 53 8.182 6.575 4.744 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.082 6.230 2.529 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.568 5.934 3.360 1.00 0.25 H new ATOM 794 N SER A 54 7.872 4.489 7.037 1.00 0.31 N ATOM 795 CA SER A 54 8.501 4.313 8.320 1.00 0.40 C ATOM 796 C SER A 54 8.873 2.843 8.588 1.00 0.36 C ATOM 797 O SER A 54 9.877 2.557 9.230 1.00 0.39 O ATOM 798 CB SER A 54 7.582 4.867 9.397 1.00 0.53 C ATOM 799 OG SER A 54 7.231 6.213 9.075 1.00 1.17 O ATOM 0 H SER A 54 6.902 4.799 7.091 1.00 0.31 H new ATOM 0 HA SER A 54 9.442 4.863 8.330 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.684 4.254 9.475 1.00 0.53 H new ATOM 0 HB3 SER A 54 8.078 4.831 10.367 1.00 0.53 H new ATOM 0 HG SER A 54 6.637 6.571 9.768 1.00 1.17 H new ATOM 805 N ARG A 55 8.064 1.932 8.086 1.00 0.35 N ATOM 806 CA ARG A 55 8.279 0.506 8.278 1.00 0.37 C ATOM 807 C ARG A 55 9.569 0.052 7.558 1.00 0.31 C ATOM 808 O ARG A 55 10.448 -0.540 8.163 1.00 0.36 O ATOM 809 CB ARG A 55 7.071 -0.271 7.710 1.00 0.48 C ATOM 810 CG ARG A 55 6.754 -1.652 8.326 1.00 0.61 C ATOM 811 CD ARG A 55 7.923 -2.618 8.344 1.00 0.85 C ATOM 812 NE ARG A 55 7.491 -3.975 8.680 1.00 1.35 N ATOM 813 CZ ARG A 55 8.282 -5.050 8.710 1.00 2.03 C ATOM 814 NH1 ARG A 55 9.597 -4.916 8.696 1.00 2.37 N ATOM 815 NH2 ARG A 55 7.749 -6.255 8.816 1.00 2.81 N ATOM 0 H ARG A 55 7.237 2.156 7.532 1.00 0.35 H new ATOM 0 HA ARG A 55 8.384 0.304 9.344 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.187 0.357 7.820 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.233 -0.409 6.641 1.00 0.48 H new ATOM 0 HG2 ARG A 55 6.403 -1.508 9.348 1.00 0.61 H new ATOM 0 HG3 ARG A 55 5.934 -2.105 7.768 1.00 0.61 H new ATOM 0 HD2 ARG A 55 8.409 -2.621 7.369 1.00 0.85 H new ATOM 0 HD3 ARG A 55 8.664 -2.281 9.069 1.00 0.85 H new ATOM 0 HE ARG A 55 6.506 -4.110 8.910 1.00 1.35 H new ATOM 0 HH11 ARG A 55 10.015 -3.986 8.662 1.00 2.37 H new ATOM 0 HH12 ARG A 55 10.194 -5.743 8.719 1.00 2.37 H new ATOM 0 HH21 ARG A 55 6.736 -6.361 8.875 1.00 2.81 H new ATOM 0 HH22 ARG A 55 8.350 -7.078 8.839 1.00 2.81 H new ATOM 829 N TYR A 56 9.672 0.345 6.276 1.00 0.28 N ATOM 830 CA TYR A 56 10.769 -0.197 5.476 1.00 0.31 C ATOM 831 C TYR A 56 11.873 0.807 5.125 1.00 0.33 C ATOM 832 O TYR A 56 12.879 0.435 4.526 1.00 0.43 O ATOM 833 CB TYR A 56 10.220 -0.900 4.233 1.00 0.34 C ATOM 834 CG TYR A 56 9.373 -2.114 4.563 1.00 0.41 C ATOM 835 CD1 TYR A 56 9.968 -3.315 4.924 1.00 0.53 C ATOM 836 CD2 TYR A 56 7.984 -2.053 4.537 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.210 -4.425 5.239 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.213 -3.161 4.853 1.00 0.57 C ATOM 839 CZ TYR A 56 7.834 -4.348 5.203 1.00 0.66 C ATOM 840 OH TYR A 56 7.081 -5.459 5.527 1.00 0.80 O ATOM 0 H TYR A 56 9.024 0.945 5.766 1.00 0.28 H new ATOM 0 HA TYR A 56 11.270 -0.926 6.113 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.623 -0.193 3.657 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.052 -1.206 3.599 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.045 -3.382 4.959 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.498 -1.127 4.266 1.00 0.45 H new ATOM 0 HE1 TYR A 56 9.694 -5.351 5.513 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.135 -3.099 4.826 1.00 0.57 H new ATOM 0 HH TYR A 56 7.035 -6.060 4.754 1.00 0.80 H new ATOM 850 N GLY A 57 11.702 2.051 5.503 1.00 0.31 N ATOM 851 CA GLY A 57 12.728 3.048 5.221 1.00 0.38 C ATOM 852 C GLY A 57 12.587 3.628 3.829 1.00 0.38 C ATOM 853 O GLY A 57 13.575 3.798 3.100 1.00 0.53 O ATOM 0 H GLY A 57 10.882 2.401 5.998 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.666 3.850 5.956 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.713 2.594 5.327 1.00 0.38 H new ATOM 857 N VAL A 58 11.363 3.933 3.459 1.00 0.37 N ATOM 858 CA VAL A 58 11.058 4.472 2.146 1.00 0.37 C ATOM 859 C VAL A 58 10.353 5.801 2.298 1.00 0.34 C ATOM 860 O VAL A 58 10.119 6.252 3.419 1.00 0.33 O ATOM 861 CB VAL A 58 10.192 3.512 1.245 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.779 2.138 1.214 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.735 3.443 1.680 1.00 0.33 C ATOM 0 H VAL A 58 10.547 3.815 4.059 1.00 0.37 H new ATOM 0 HA VAL A 58 12.012 4.592 1.633 1.00 0.37 H new ATOM 0 HB VAL A 58 10.210 3.938 0.242 1.00 0.38 H new ATOM 0 HG11 VAL A 58 10.164 1.494 0.586 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.789 2.183 0.808 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.812 1.734 2.226 1.00 0.45 H new ATOM 0 HG21 VAL A 58 8.190 2.766 1.021 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.678 3.076 2.705 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.292 4.437 1.626 1.00 0.33 H new ATOM 873 N SER A 59 10.054 6.435 1.207 1.00 0.37 N ATOM 874 CA SER A 59 9.278 7.621 1.234 1.00 0.41 C ATOM 875 C SER A 59 8.357 7.630 0.025 1.00 0.38 C ATOM 876 O SER A 59 8.796 7.391 -1.102 1.00 0.47 O ATOM 877 CB SER A 59 10.164 8.871 1.275 1.00 0.56 C ATOM 878 OG SER A 59 9.378 10.045 1.410 1.00 1.54 O ATOM 0 H SER A 59 10.345 6.139 0.275 1.00 0.37 H new ATOM 0 HA SER A 59 8.678 7.639 2.144 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.863 8.799 2.108 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.759 8.930 0.364 1.00 0.56 H new ATOM 0 HG SER A 59 8.547 9.830 1.883 1.00 1.54 H new ATOM 884 N ILE A 60 7.097 7.854 0.279 1.00 0.31 N ATOM 885 CA ILE A 60 6.069 7.901 -0.729 1.00 0.31 C ATOM 886 C ILE A 60 5.249 9.152 -0.473 1.00 0.34 C ATOM 887 O ILE A 60 4.569 9.251 0.558 1.00 0.40 O ATOM 888 CB ILE A 60 5.094 6.669 -0.670 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.843 5.324 -0.781 1.00 0.47 C ATOM 890 CG2 ILE A 60 4.025 6.769 -1.765 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.580 5.110 -2.096 1.00 0.59 C ATOM 0 H ILE A 60 6.744 8.014 1.223 1.00 0.31 H new ATOM 0 HA ILE A 60 6.551 7.892 -1.707 1.00 0.31 H new ATOM 0 HB ILE A 60 4.610 6.696 0.306 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.560 5.255 0.037 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.127 4.513 -0.646 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.361 5.906 -1.706 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.446 7.682 -1.626 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.506 6.790 -2.743 1.00 0.35 H new ATOM 0 HD11 ILE A 60 7.076 4.139 -2.082 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.869 5.142 -2.921 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.324 5.895 -2.228 1.00 0.59 H new ATOM 903 N PRO A 61 5.343 10.139 -1.354 1.00 0.37 N ATOM 904 CA PRO A 61 4.580 11.376 -1.226 1.00 0.45 C ATOM 905 C PRO A 61 3.063 11.131 -1.276 1.00 0.41 C ATOM 906 O PRO A 61 2.587 10.264 -2.034 1.00 0.35 O ATOM 907 CB PRO A 61 5.024 12.199 -2.440 1.00 0.54 C ATOM 908 CG PRO A 61 6.332 11.612 -2.838 1.00 0.56 C ATOM 909 CD PRO A 61 6.227 10.153 -2.530 1.00 0.43 C ATOM 0 HA PRO A 61 4.762 11.868 -0.271 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.298 12.133 -3.250 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.124 13.255 -2.187 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.529 11.776 -3.897 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.152 12.071 -2.286 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.803 9.592 -3.363 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.200 9.713 -2.312 1.00 0.43 H new ATOM 917 N ASP A 62 2.317 11.910 -0.484 1.00 0.51 N ATOM 918 CA ASP A 62 0.824 11.839 -0.393 1.00 0.55 C ATOM 919 C ASP A 62 0.189 11.952 -1.769 1.00 0.45 C ATOM 920 O ASP A 62 -0.815 11.313 -2.059 1.00 0.46 O ATOM 921 CB ASP A 62 0.245 12.979 0.490 1.00 0.77 C ATOM 922 CG ASP A 62 0.640 12.931 1.955 1.00 1.28 C ATOM 923 OD1 ASP A 62 1.808 13.257 2.266 1.00 1.64 O ATOM 924 OD2 ASP A 62 -0.217 12.647 2.830 1.00 1.99 O ATOM 0 H ASP A 62 2.722 12.621 0.125 1.00 0.51 H new ATOM 0 HA ASP A 62 0.591 10.874 0.056 1.00 0.55 H new ATOM 0 HB2 ASP A 62 0.565 13.935 0.076 1.00 0.77 H new ATOM 0 HB3 ASP A 62 -0.843 12.951 0.423 1.00 0.77 H new ATOM 929 N ASP A 63 0.835 12.710 -2.630 1.00 0.44 N ATOM 930 CA ASP A 63 0.339 12.991 -3.974 1.00 0.45 C ATOM 931 C ASP A 63 0.413 11.744 -4.820 1.00 0.40 C ATOM 932 O ASP A 63 -0.484 11.457 -5.593 1.00 0.48 O ATOM 933 CB ASP A 63 1.219 14.052 -4.636 1.00 0.58 C ATOM 934 CG ASP A 63 1.381 15.296 -3.814 1.00 1.37 C ATOM 935 OD1 ASP A 63 2.298 15.334 -2.949 1.00 2.18 O ATOM 936 OD2 ASP A 63 0.638 16.248 -4.012 1.00 1.66 O ATOM 0 H ASP A 63 1.728 13.156 -2.421 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.691 13.338 -3.896 1.00 0.45 H new ATOM 0 HB2 ASP A 63 2.203 13.625 -4.832 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.789 14.318 -5.602 1.00 0.58 H new ATOM 941 N VAL A 64 1.473 10.993 -4.633 1.00 0.34 N ATOM 942 CA VAL A 64 1.720 9.766 -5.379 1.00 0.37 C ATOM 943 C VAL A 64 0.817 8.678 -4.845 1.00 0.36 C ATOM 944 O VAL A 64 0.190 7.944 -5.612 1.00 0.43 O ATOM 945 CB VAL A 64 3.205 9.347 -5.239 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.501 8.096 -6.042 1.00 0.57 C ATOM 947 CG2 VAL A 64 4.118 10.476 -5.678 1.00 0.50 C ATOM 0 H VAL A 64 2.200 11.213 -3.953 1.00 0.34 H new ATOM 0 HA VAL A 64 1.508 9.930 -6.436 1.00 0.37 H new ATOM 0 HB VAL A 64 3.391 9.128 -4.188 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.551 7.827 -5.923 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.875 7.278 -5.686 1.00 0.57 H new ATOM 0 HG13 VAL A 64 3.291 8.282 -7.095 1.00 0.57 H new ATOM 0 HG21 VAL A 64 5.157 10.165 -5.573 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.916 10.723 -6.720 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.937 11.353 -5.056 1.00 0.50 H new ATOM 957 N ALA A 65 0.740 8.596 -3.529 1.00 0.35 N ATOM 958 CA ALA A 65 -0.112 7.633 -2.866 1.00 0.39 C ATOM 959 C ALA A 65 -1.571 7.802 -3.298 1.00 0.41 C ATOM 960 O ALA A 65 -2.227 6.845 -3.614 1.00 0.45 O ATOM 961 CB ALA A 65 0.032 7.748 -1.361 1.00 0.44 C ATOM 0 H ALA A 65 1.266 9.195 -2.893 1.00 0.35 H new ATOM 0 HA ALA A 65 0.204 6.633 -3.162 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.615 7.017 -0.877 1.00 0.44 H new ATOM 0 HB2 ALA A 65 1.068 7.559 -1.079 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.253 8.751 -1.044 1.00 0.44 H new ATOM 967 N GLY A 66 -2.036 9.039 -3.391 1.00 0.47 N ATOM 968 CA GLY A 66 -3.418 9.281 -3.772 1.00 0.55 C ATOM 969 C GLY A 66 -3.639 9.215 -5.278 1.00 0.58 C ATOM 970 O GLY A 66 -4.770 9.343 -5.752 1.00 0.81 O ATOM 0 H GLY A 66 -1.486 9.879 -3.211 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.058 8.546 -3.284 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.723 10.262 -3.408 1.00 0.55 H new ATOM 974 N ARG A 67 -2.572 8.977 -6.018 1.00 0.54 N ATOM 975 CA ARG A 67 -2.623 8.958 -7.467 1.00 0.61 C ATOM 976 C ARG A 67 -2.804 7.545 -8.004 1.00 0.52 C ATOM 977 O ARG A 67 -3.475 7.340 -9.021 1.00 0.59 O ATOM 978 CB ARG A 67 -1.339 9.559 -8.040 1.00 0.75 C ATOM 979 CG ARG A 67 -1.240 9.471 -9.544 1.00 1.32 C ATOM 980 CD ARG A 67 0.084 9.987 -10.040 1.00 1.55 C ATOM 981 NE ARG A 67 0.254 9.763 -11.476 1.00 1.97 N ATOM 982 CZ ARG A 67 1.429 9.522 -12.075 1.00 2.53 C ATOM 983 NH1 ARG A 67 2.554 9.560 -11.374 1.00 2.73 N ATOM 984 NH2 ARG A 67 1.472 9.278 -13.378 1.00 3.33 N ATOM 0 H ARG A 67 -1.647 8.792 -5.631 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.483 9.552 -7.776 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.275 10.606 -7.742 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.483 9.049 -7.599 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -1.369 8.435 -9.858 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.048 10.045 -9.997 1.00 1.32 H new ATOM 0 HD2 ARG A 67 0.161 11.053 -9.827 1.00 1.55 H new ATOM 0 HD3 ARG A 67 0.891 9.495 -9.498 1.00 1.55 H new ATOM 0 HE ARG A 67 -0.580 9.792 -12.062 1.00 1.97 H new ATOM 0 HH11 ARG A 67 2.527 9.773 -10.377 1.00 2.73 H new ATOM 0 HH12 ARG A 67 3.447 9.376 -11.832 1.00 2.73 H new ATOM 0 HH21 ARG A 67 0.611 9.274 -13.925 1.00 3.33 H new ATOM 0 HH22 ARG A 67 2.366 9.095 -13.833 1.00 3.33 H new ATOM 998 N VAL A 68 -2.259 6.581 -7.309 1.00 0.43 N ATOM 999 CA VAL A 68 -2.274 5.207 -7.781 1.00 0.39 C ATOM 1000 C VAL A 68 -3.655 4.573 -7.641 1.00 0.35 C ATOM 1001 O VAL A 68 -4.379 4.819 -6.671 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.160 4.351 -7.121 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.188 4.743 -7.706 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.127 4.577 -5.620 1.00 0.36 C ATOM 0 H VAL A 68 -1.796 6.715 -6.410 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.050 5.234 -8.847 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.369 3.299 -7.317 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.973 4.144 -7.245 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.183 4.568 -8.782 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.376 5.799 -7.511 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.339 3.967 -5.178 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -0.930 5.629 -5.415 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.088 4.297 -5.189 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.021 3.804 -8.641 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.368 3.261 -8.775 1.00 0.41 C ATOM 1016 C ASP A 69 -5.475 1.869 -8.216 1.00 0.28 C ATOM 1017 O ASP A 69 -6.527 1.474 -7.685 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.815 3.266 -10.246 1.00 0.62 C ATOM 1019 CG ASP A 69 -5.936 4.658 -10.817 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -7.007 5.293 -10.665 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -4.972 5.156 -11.426 1.00 2.11 O ATOM 0 H ASP A 69 -3.391 3.531 -9.395 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.028 3.907 -8.196 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.101 2.696 -10.840 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.776 2.759 -10.330 1.00 0.62 H new ATOM 1026 N THR A 70 -4.415 1.113 -8.340 1.00 0.30 N ATOM 1027 CA THR A 70 -4.394 -0.232 -7.839 1.00 0.27 C ATOM 1028 C THR A 70 -3.234 -0.418 -6.846 1.00 0.24 C ATOM 1029 O THR A 70 -2.194 0.261 -6.953 1.00 0.25 O ATOM 1030 CB THR A 70 -4.289 -1.246 -9.004 1.00 0.34 C ATOM 1031 OG1 THR A 70 -3.177 -0.914 -9.840 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.560 -1.254 -9.842 1.00 0.36 C ATOM 0 H THR A 70 -3.549 1.412 -8.788 1.00 0.30 H new ATOM 0 HA THR A 70 -5.329 -0.419 -7.311 1.00 0.27 H new ATOM 0 HB THR A 70 -4.148 -2.238 -8.574 1.00 0.34 H new ATOM 0 HG1 THR A 70 -3.115 -1.560 -10.574 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.457 -1.976 -10.652 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.407 -1.531 -9.215 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.727 -0.261 -10.259 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.398 -1.313 -5.836 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.368 -1.587 -4.830 1.00 0.22 C ATOM 1042 C PRO A 71 -1.064 -2.050 -5.460 1.00 0.22 C ATOM 1043 O PRO A 71 0.008 -1.807 -4.919 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.970 -2.711 -3.984 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.433 -2.601 -4.192 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.615 -2.102 -5.587 1.00 0.23 C ATOM 0 HA PRO A 71 -2.118 -0.695 -4.256 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.598 -3.686 -4.299 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.711 -2.596 -2.932 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.920 -3.567 -4.057 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.879 -1.916 -3.471 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.712 -2.924 -6.297 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.514 -1.492 -5.680 1.00 0.23 H new ATOM 1054 N ARG A 72 -1.177 -2.732 -6.594 1.00 0.24 N ATOM 1055 CA ARG A 72 -0.033 -3.198 -7.371 1.00 0.28 C ATOM 1056 C ARG A 72 0.942 -2.044 -7.653 1.00 0.27 C ATOM 1057 O ARG A 72 2.150 -2.183 -7.469 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.529 -3.800 -8.676 1.00 0.40 C ATOM 1059 CG ARG A 72 0.539 -4.377 -9.560 1.00 0.70 C ATOM 1060 CD ARG A 72 -0.082 -4.926 -10.816 1.00 0.74 C ATOM 1061 NE ARG A 72 0.909 -5.385 -11.774 1.00 1.18 N ATOM 1062 CZ ARG A 72 0.617 -6.059 -12.892 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -0.655 -6.349 -13.194 1.00 1.88 N ATOM 1064 NH2 ARG A 72 1.588 -6.434 -13.710 1.00 2.72 N ATOM 0 H ARG A 72 -2.077 -2.980 -7.005 1.00 0.24 H new ATOM 0 HA ARG A 72 0.502 -3.956 -6.798 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -1.250 -4.584 -8.445 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -1.063 -3.030 -9.233 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.271 -3.609 -9.811 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.074 -5.167 -9.032 1.00 0.70 H new ATOM 0 HD2 ARG A 72 -0.743 -5.753 -10.558 1.00 0.74 H new ATOM 0 HD3 ARG A 72 -0.700 -4.156 -11.278 1.00 0.74 H new ATOM 0 HE ARG A 72 1.890 -5.180 -11.582 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.407 -6.056 -12.570 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -0.872 -6.863 -14.048 1.00 1.88 H new ATOM 0 HH21 ARG A 72 2.558 -6.209 -13.487 1.00 2.72 H new ATOM 0 HH22 ARG A 72 1.366 -6.948 -14.563 1.00 2.72 H new ATOM 1078 N GLU A 73 0.390 -0.900 -8.055 1.00 0.24 N ATOM 1079 CA GLU A 73 1.185 0.285 -8.368 1.00 0.26 C ATOM 1080 C GLU A 73 1.893 0.796 -7.122 1.00 0.25 C ATOM 1081 O GLU A 73 3.065 1.147 -7.161 1.00 0.32 O ATOM 1082 CB GLU A 73 0.300 1.382 -8.936 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.482 0.979 -10.163 1.00 0.50 C ATOM 1084 CD GLU A 73 -1.297 2.114 -10.711 1.00 1.41 C ATOM 1085 OE1 GLU A 73 -2.414 2.346 -10.217 1.00 2.21 O ATOM 1086 OE2 GLU A 73 -0.851 2.796 -11.635 1.00 1.82 O ATOM 0 H GLU A 73 -0.615 -0.769 -8.172 1.00 0.24 H new ATOM 0 HA GLU A 73 1.931 0.007 -9.112 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.399 1.704 -8.164 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.922 2.243 -9.183 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.206 0.624 -10.930 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -1.141 0.147 -9.915 1.00 0.50 H new ATOM 1093 N LEU A 74 1.183 0.770 -6.007 1.00 0.23 N ATOM 1094 CA LEU A 74 1.711 1.248 -4.735 1.00 0.26 C ATOM 1095 C LEU A 74 2.827 0.294 -4.281 1.00 0.25 C ATOM 1096 O LEU A 74 3.866 0.724 -3.773 1.00 0.28 O ATOM 1097 CB LEU A 74 0.538 1.340 -3.699 1.00 0.28 C ATOM 1098 CG LEU A 74 0.771 2.048 -2.327 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.678 1.260 -1.393 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.306 3.460 -2.527 1.00 1.11 C ATOM 0 H LEU A 74 0.227 0.419 -5.955 1.00 0.23 H new ATOM 0 HA LEU A 74 2.141 2.245 -4.829 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.292 1.848 -4.191 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.209 0.322 -3.489 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.204 2.102 -1.843 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.800 1.806 -0.458 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.233 0.286 -1.189 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.652 1.123 -1.862 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.460 3.932 -1.556 1.00 1.11 H new ATOM 0 HD22 LEU A 74 2.254 3.417 -3.064 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.588 4.043 -3.104 1.00 1.11 H new ATOM 1112 N LEU A 75 2.605 -0.992 -4.496 1.00 0.24 N ATOM 1113 CA LEU A 75 3.585 -2.027 -4.208 1.00 0.28 C ATOM 1114 C LEU A 75 4.874 -1.763 -4.994 1.00 0.28 C ATOM 1115 O LEU A 75 5.987 -1.806 -4.432 1.00 0.30 O ATOM 1116 CB LEU A 75 3.016 -3.405 -4.564 1.00 0.32 C ATOM 1117 CG LEU A 75 3.883 -4.606 -4.206 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.101 -4.662 -2.709 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.242 -5.892 -4.699 1.00 0.48 C ATOM 0 H LEU A 75 1.731 -1.351 -4.879 1.00 0.24 H new ATOM 0 HA LEU A 75 3.816 -2.010 -3.143 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.053 -3.517 -4.065 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.824 -3.429 -5.637 1.00 0.32 H new ATOM 0 HG LEU A 75 4.850 -4.497 -4.696 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.722 -5.524 -2.464 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.599 -3.750 -2.380 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.139 -4.752 -2.204 1.00 0.46 H new ATOM 0 HD21 LEU A 75 3.875 -6.739 -4.434 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.263 -6.012 -4.235 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.127 -5.849 -5.782 1.00 0.48 H new ATOM 1131 N ASP A 76 4.702 -1.467 -6.286 1.00 0.28 N ATOM 1132 CA ASP A 76 5.811 -1.137 -7.198 1.00 0.33 C ATOM 1133 C ASP A 76 6.581 0.072 -6.699 1.00 0.30 C ATOM 1134 O ASP A 76 7.816 0.079 -6.706 1.00 0.32 O ATOM 1135 CB ASP A 76 5.285 -0.867 -8.612 1.00 0.43 C ATOM 1136 CG ASP A 76 6.367 -0.404 -9.578 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.086 -1.257 -10.149 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.496 0.822 -9.814 1.00 0.68 O ATOM 0 H ASP A 76 3.786 -1.448 -6.735 1.00 0.28 H new ATOM 0 HA ASP A 76 6.484 -1.994 -7.227 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.825 -1.775 -9.001 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.503 -0.109 -8.563 1.00 0.43 H new ATOM 1143 N LEU A 77 5.845 1.065 -6.217 1.00 0.29 N ATOM 1144 CA LEU A 77 6.427 2.288 -5.675 1.00 0.30 C ATOM 1145 C LEU A 77 7.337 1.970 -4.505 1.00 0.28 C ATOM 1146 O LEU A 77 8.452 2.497 -4.415 1.00 0.35 O ATOM 1147 CB LEU A 77 5.332 3.247 -5.204 1.00 0.35 C ATOM 1148 CG LEU A 77 4.391 3.787 -6.269 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.286 4.591 -5.617 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.153 4.646 -7.264 1.00 0.45 C ATOM 0 H LEU A 77 4.826 1.046 -6.190 1.00 0.29 H new ATOM 0 HA LEU A 77 7.004 2.761 -6.470 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.734 2.736 -4.449 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.810 4.094 -4.712 1.00 0.35 H new ATOM 0 HG LEU A 77 3.949 2.949 -6.808 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.614 4.976 -6.385 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.727 3.953 -4.932 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.720 5.424 -5.064 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.465 5.025 -8.020 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.616 5.484 -6.742 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.926 4.047 -7.745 1.00 0.45 H new ATOM 1162 N ILE A 78 6.873 1.094 -3.624 1.00 0.27 N ATOM 1163 CA ILE A 78 7.660 0.695 -2.474 1.00 0.29 C ATOM 1164 C ILE A 78 8.885 -0.087 -2.945 1.00 0.30 C ATOM 1165 O ILE A 78 9.999 0.205 -2.533 1.00 0.31 O ATOM 1166 CB ILE A 78 6.862 -0.189 -1.479 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.536 0.476 -1.063 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.717 -0.461 -0.242 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.688 1.797 -0.334 1.00 0.38 C ATOM 0 H ILE A 78 5.957 0.649 -3.687 1.00 0.27 H new ATOM 0 HA ILE A 78 7.949 1.608 -1.953 1.00 0.29 H new ATOM 0 HB ILE A 78 6.619 -1.127 -1.978 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.931 0.637 -1.955 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.985 -0.214 -0.424 1.00 0.31 H new ATOM 0 HG21 ILE A 78 7.157 -1.082 0.458 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.630 -0.979 -0.537 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.975 0.484 0.237 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.703 2.189 -0.082 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.263 1.644 0.580 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.208 2.509 -0.975 1.00 0.38 H new ATOM 1181 N ASN A 79 8.659 -1.081 -3.830 1.00 0.34 N ATOM 1182 CA ASN A 79 9.763 -1.917 -4.371 1.00 0.41 C ATOM 1183 C ASN A 79 10.849 -1.048 -4.974 1.00 0.38 C ATOM 1184 O ASN A 79 12.035 -1.216 -4.669 1.00 0.42 O ATOM 1185 CB ASN A 79 9.297 -2.946 -5.436 1.00 0.53 C ATOM 1186 CG ASN A 79 8.587 -4.199 -4.904 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.746 -5.277 -5.462 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.773 -4.075 -3.884 1.00 0.63 N ATOM 0 H ASN A 79 7.735 -1.326 -4.185 1.00 0.34 H new ATOM 0 HA ASN A 79 10.149 -2.476 -3.519 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.625 -2.440 -6.130 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.168 -3.263 -6.010 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.258 -4.886 -3.541 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.655 -3.168 -3.433 1.00 0.63 H new ATOM 1195 N GLY A 80 10.432 -0.094 -5.790 1.00 0.38 N ATOM 1196 CA GLY A 80 11.354 0.818 -6.411 1.00 0.42 C ATOM 1197 C GLY A 80 12.102 1.649 -5.392 1.00 0.38 C ATOM 1198 O GLY A 80 13.320 1.744 -5.451 1.00 0.46 O ATOM 0 H GLY A 80 9.454 0.062 -6.033 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.067 0.257 -7.015 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.811 1.477 -7.088 1.00 0.42 H new ATOM 1202 N ALA A 81 11.379 2.152 -4.400 1.00 0.31 N ATOM 1203 CA ALA A 81 11.937 3.039 -3.379 1.00 0.32 C ATOM 1204 C ALA A 81 12.936 2.316 -2.479 1.00 0.33 C ATOM 1205 O ALA A 81 13.886 2.929 -1.980 1.00 0.45 O ATOM 1206 CB ALA A 81 10.819 3.629 -2.541 1.00 0.33 C ATOM 0 H ALA A 81 10.385 1.958 -4.277 1.00 0.31 H new ATOM 0 HA ALA A 81 12.473 3.837 -3.892 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.242 4.288 -1.783 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.145 4.198 -3.182 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.265 2.825 -2.055 1.00 0.33 H new ATOM 1212 N LEU A 82 12.715 1.032 -2.273 1.00 0.29 N ATOM 1213 CA LEU A 82 13.618 0.187 -1.494 1.00 0.36 C ATOM 1214 C LEU A 82 14.941 0.027 -2.226 1.00 0.46 C ATOM 1215 O LEU A 82 16.020 0.166 -1.641 1.00 0.61 O ATOM 1216 CB LEU A 82 12.968 -1.180 -1.251 1.00 0.42 C ATOM 1217 CG LEU A 82 11.785 -1.186 -0.283 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.982 -2.461 -0.428 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.293 -1.060 1.143 1.00 0.67 C ATOM 0 H LEU A 82 11.902 0.537 -2.640 1.00 0.29 H new ATOM 0 HA LEU A 82 13.811 0.658 -0.530 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.633 -1.578 -2.209 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.729 -1.862 -0.871 1.00 0.42 H new ATOM 0 HG LEU A 82 11.138 -0.341 -0.518 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.145 -2.445 0.270 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.603 -2.539 -1.447 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.619 -3.319 -0.211 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.448 -1.064 1.832 1.00 0.67 H new ATOM 0 HD22 LEU A 82 12.951 -1.899 1.370 1.00 0.67 H new ATOM 0 HD23 LEU A 82 12.845 -0.126 1.252 1.00 0.67 H new ATOM 1231 N ALA A 83 14.850 -0.246 -3.513 1.00 0.54 N ATOM 1232 CA ALA A 83 16.023 -0.387 -4.358 1.00 0.69 C ATOM 1233 C ALA A 83 16.792 0.939 -4.476 1.00 0.73 C ATOM 1234 O ALA A 83 18.005 0.950 -4.650 1.00 0.84 O ATOM 1235 CB ALA A 83 15.627 -0.911 -5.719 1.00 0.88 C ATOM 0 H ALA A 83 13.965 -0.376 -4.002 1.00 0.54 H new ATOM 0 HA ALA A 83 16.694 -1.109 -3.892 1.00 0.69 H new ATOM 0 HB1 ALA A 83 16.515 -1.012 -6.343 1.00 0.88 H new ATOM 0 HB2 ALA A 83 15.148 -1.884 -5.609 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.931 -0.215 -6.188 1.00 0.88 H new ATOM 1241 N GLU A 84 16.075 2.053 -4.349 1.00 0.82 N ATOM 1242 CA GLU A 84 16.679 3.390 -4.419 1.00 1.07 C ATOM 1243 C GLU A 84 17.360 3.767 -3.094 1.00 1.53 C ATOM 1244 O GLU A 84 18.026 4.803 -3.002 1.00 1.82 O ATOM 1245 CB GLU A 84 15.619 4.459 -4.744 1.00 1.50 C ATOM 1246 CG GLU A 84 14.871 4.257 -6.050 1.00 2.18 C ATOM 1247 CD GLU A 84 15.759 4.262 -7.262 1.00 2.92 C ATOM 1248 OE1 GLU A 84 16.275 3.196 -7.641 1.00 3.64 O ATOM 1249 OE2 GLU A 84 15.928 5.335 -7.869 1.00 3.21 O ATOM 0 H GLU A 84 15.067 2.060 -4.196 1.00 0.82 H new ATOM 0 HA GLU A 84 17.425 3.357 -5.213 1.00 1.07 H new ATOM 0 HB2 GLU A 84 14.894 4.487 -3.930 1.00 1.50 H new ATOM 0 HB3 GLU A 84 16.106 5.434 -4.771 1.00 1.50 H new ATOM 0 HG2 GLU A 84 14.334 3.309 -6.008 1.00 2.18 H new ATOM 0 HG3 GLU A 84 14.123 5.043 -6.155 1.00 2.18 H new ATOM 1256 N ALA A 85 17.194 2.943 -2.085 1.00 2.09 N ATOM 1257 CA ALA A 85 17.737 3.230 -0.777 1.00 2.99 C ATOM 1258 C ALA A 85 19.097 2.571 -0.601 1.00 3.79 C ATOM 1259 O ALA A 85 19.445 1.628 -1.320 1.00 4.38 O ATOM 1260 CB ALA A 85 16.772 2.780 0.312 1.00 3.58 C ATOM 0 H ALA A 85 16.683 2.062 -2.146 1.00 2.09 H new ATOM 0 HA ALA A 85 17.871 4.308 -0.690 1.00 2.99 H new ATOM 0 HB1 ALA A 85 17.197 3.004 1.290 1.00 3.58 H new ATOM 0 HB2 ALA A 85 15.825 3.307 0.199 1.00 3.58 H new ATOM 0 HB3 ALA A 85 16.603 1.707 0.227 1.00 3.58 H new ATOM 1266 N ALA A 86 19.862 3.085 0.315 1.00 4.29 N ATOM 1267 CA ALA A 86 21.159 2.561 0.639 1.00 5.37 C ATOM 1268 C ALA A 86 21.139 2.095 2.082 1.00 6.06 C ATOM 1269 O ALA A 86 21.339 2.926 2.998 1.00 6.58 O ATOM 1270 CB ALA A 86 22.237 3.618 0.417 1.00 6.00 C ATOM 1271 OXT ALA A 86 20.852 0.918 2.321 1.00 6.33 O ATOM 0 H ALA A 86 19.598 3.898 0.871 1.00 4.29 H new ATOM 0 HA ALA A 86 21.395 1.719 -0.012 1.00 5.37 H new ATOM 0 HB1 ALA A 86 23.212 3.201 0.668 1.00 6.00 H new ATOM 0 HB2 ALA A 86 22.233 3.928 -0.628 1.00 6.00 H new ATOM 0 HB3 ALA A 86 22.037 4.481 1.052 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -9.481 10.971 -1.337 1.00 1.37 P HETATM 1279 O26 SXA A 87 -9.844 10.098 -2.578 1.00 2.26 O HETATM 1280 O23 SXA A 87 -10.594 11.225 -0.292 1.00 1.84 O HETATM 1281 O27 SXA A 87 -8.927 12.311 -1.833 1.00 1.75 O HETATM 1282 C28 SXA A 87 -8.388 13.258 -0.836 1.00 2.13 C HETATM 1283 C29 SXA A 87 -7.791 14.484 -1.528 1.00 3.11 C HETATM 1284 C30 SXA A 87 -6.788 13.954 -2.571 1.00 3.58 C HETATM 1285 C31 SXA A 87 -8.907 15.263 -2.222 1.00 3.66 C HETATM 1286 C32 SXA A 87 -7.102 15.426 -0.410 1.00 3.95 C HETATM 1287 O33 SXA A 87 -8.066 15.803 0.575 1.00 4.27 O HETATM 1288 C34 SXA A 87 -6.539 16.746 -0.988 1.00 4.82 C HETATM 1289 O35 SXA A 87 -6.871 17.821 -0.475 1.00 5.39 O HETATM 1290 N36 SXA A 87 -5.749 16.664 -2.012 1.00 5.21 N HETATM 1291 C37 SXA A 87 -5.137 17.761 -2.728 1.00 6.20 C HETATM 1292 C38 SXA A 87 -5.231 17.471 -4.214 1.00 6.79 C HETATM 1293 C39 SXA A 87 -4.467 18.405 -5.113 1.00 6.69 C HETATM 1294 O40 SXA A 87 -3.891 19.415 -4.693 1.00 7.13 O HETATM 1295 N41 SXA A 87 -4.475 18.024 -6.371 1.00 6.49 N HETATM 1296 C42 SXA A 87 -3.817 18.723 -7.468 1.00 6.81 C HETATM 1297 C43 SXA A 87 -3.851 17.895 -8.747 1.00 6.95 C HETATM 1298 S1 SXA A 87 -3.141 16.344 -8.444 1.00 7.34 S HETATM 1299 C1 SXA A 87 -1.492 16.841 -8.165 1.00 7.74 C HETATM 1300 O1 SXA A 87 -0.989 17.905 -8.596 1.00 7.80 O HETATM 1301 C2 SXA A 87 -0.681 15.882 -7.327 1.00 8.41 C HETATM 0 HO33 SXA A 87 -8.082 16.779 0.660 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -4.983 17.169 -6.598 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -5.536 15.725 -2.349 1.00 5.21 H new HETATM 0 H43A SXA A 87 -4.879 17.776 -9.090 1.00 6.95 H new HETATM 0 H42A SXA A 87 -4.308 19.681 -7.639 1.00 6.81 H new HETATM 0 H38A SXA A 87 -4.876 16.456 -4.390 1.00 6.79 H new HETATM 0 H37A SXA A 87 -5.642 18.698 -2.491 1.00 6.20 H new HETATM 0 H31B SXA A 87 -9.390 14.625 -2.962 1.00 3.66 H new HETATM 0 H31A SXA A 87 -9.642 15.582 -1.483 1.00 3.66 H new HETATM 0 H30B SXA A 87 -6.013 13.375 -2.069 1.00 3.58 H new HETATM 0 H30A SXA A 87 -7.309 13.319 -3.287 1.00 3.58 H new HETATM 0 H28A SXA A 87 -9.181 13.568 -0.155 1.00 2.13 H new HETATM 0 H43 SXA A 87 -3.307 18.408 -9.540 1.00 6.95 H new HETATM 0 H42 SXA A 87 -2.783 18.938 -7.198 1.00 6.81 H new HETATM 0 H38 SXA A 87 -6.281 17.496 -4.504 1.00 6.79 H new HETATM 0 H37 SXA A 87 -4.095 17.876 -2.429 1.00 6.20 H new HETATM 0 H32 SXA A 87 -6.286 14.835 0.006 1.00 3.95 H new HETATM 0 H31 SXA A 87 -8.486 16.138 -2.717 1.00 3.66 H new HETATM 0 H30 SXA A 87 -6.331 14.793 -3.096 1.00 3.58 H new HETATM 0 H2B SXA A 87 -1.147 15.770 -6.348 1.00 8.41 H new HETATM 0 H2A SXA A 87 -0.639 14.912 -7.822 1.00 8.41 H new HETATM 0 H28 SXA A 87 -7.625 12.765 -0.234 1.00 2.13 H new HETATM 0 H2 SXA A 87 0.330 16.271 -7.205 1.00 8.41 H new