USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 Single : A 1 MET CE :methyl -142:sc= -0.292 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -76:sc= 1.25 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 17 SER OG : rot 79:sc= -0.195 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -160:sc= -1.83! USER MOD Single : A 46 MET CE :methyl 174:sc= -1 (180deg=-1.11) USER MOD Single : A 48 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 25:sc= 0.602 USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.438 USER MOD Single : A 79 ASN : amide:sc= 1.67 K(o=1.7,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.115 -5.686 7.032 1.00 4.11 N ATOM 2 CA MET A 1 19.237 -4.280 7.424 1.00 3.57 C ATOM 3 C MET A 1 18.321 -3.416 6.568 1.00 2.82 C ATOM 4 O MET A 1 17.554 -2.600 7.089 1.00 3.20 O ATOM 5 CB MET A 1 20.685 -3.827 7.321 1.00 4.13 C ATOM 6 CG MET A 1 20.937 -2.405 7.776 1.00 4.73 C ATOM 7 SD MET A 1 22.692 -1.999 7.765 1.00 5.41 S ATOM 8 CE MET A 1 23.315 -3.190 8.959 1.00 6.05 C ATOM 0 H1 MET A 1 19.744 -6.267 7.622 1.00 4.11 H new ATOM 0 H2 MET A 1 18.132 -5.999 7.162 1.00 4.11 H new ATOM 0 H3 MET A 1 19.382 -5.792 6.033 1.00 4.11 H new ATOM 0 HA MET A 1 18.927 -4.170 8.463 1.00 3.57 H new ATOM 0 HB2 MET A 1 21.305 -4.499 7.914 1.00 4.13 H new ATOM 0 HB3 MET A 1 21.009 -3.925 6.285 1.00 4.13 H new ATOM 0 HG2 MET A 1 20.400 -1.715 7.125 1.00 4.73 H new ATOM 0 HG3 MET A 1 20.539 -2.269 8.782 1.00 4.73 H new ATOM 0 HE1 MET A 1 24.097 -2.727 9.561 1.00 6.05 H new ATOM 0 HE2 MET A 1 22.502 -3.514 9.608 1.00 6.05 H new ATOM 0 HE3 MET A 1 23.724 -4.052 8.433 1.00 6.05 H new ATOM 20 N ALA A 2 18.393 -3.590 5.257 1.00 2.27 N ATOM 21 CA ALA A 2 17.508 -2.892 4.363 1.00 2.03 C ATOM 22 C ALA A 2 16.172 -3.592 4.398 1.00 1.61 C ATOM 23 O ALA A 2 16.029 -4.709 3.889 1.00 2.08 O ATOM 24 CB ALA A 2 18.069 -2.868 2.945 1.00 2.71 C ATOM 0 H ALA A 2 19.059 -4.211 4.797 1.00 2.27 H new ATOM 0 HA ALA A 2 17.400 -1.855 4.680 1.00 2.03 H new ATOM 0 HB1 ALA A 2 17.380 -2.334 2.290 1.00 2.71 H new ATOM 0 HB2 ALA A 2 19.035 -2.363 2.944 1.00 2.71 H new ATOM 0 HB3 ALA A 2 18.193 -3.889 2.586 1.00 2.71 H new ATOM 30 N THR A 3 15.218 -2.970 5.022 1.00 1.31 N ATOM 31 CA THR A 3 13.929 -3.572 5.215 1.00 1.19 C ATOM 32 C THR A 3 13.050 -3.376 3.957 1.00 0.95 C ATOM 33 O THR A 3 12.168 -2.519 3.905 1.00 1.12 O ATOM 34 CB THR A 3 13.258 -3.063 6.560 1.00 1.56 C ATOM 35 OG1 THR A 3 11.991 -3.695 6.834 1.00 2.44 O ATOM 36 CG2 THR A 3 13.108 -1.542 6.608 1.00 2.02 C ATOM 0 H THR A 3 15.309 -2.032 5.412 1.00 1.31 H new ATOM 0 HA THR A 3 14.045 -4.649 5.339 1.00 1.19 H new ATOM 0 HB THR A 3 13.953 -3.359 7.346 1.00 1.56 H new ATOM 0 HG1 THR A 3 11.626 -3.345 7.673 1.00 2.44 H new ATOM 0 HG21 THR A 3 12.643 -1.252 7.550 1.00 2.02 H new ATOM 0 HG22 THR A 3 14.091 -1.077 6.529 1.00 2.02 H new ATOM 0 HG23 THR A 3 12.483 -1.212 5.778 1.00 2.02 H new ATOM 44 N LEU A 4 13.408 -4.106 2.904 1.00 0.80 N ATOM 45 CA LEU A 4 12.669 -4.088 1.658 1.00 0.65 C ATOM 46 C LEU A 4 11.273 -4.592 1.970 1.00 0.68 C ATOM 47 O LEU A 4 11.122 -5.687 2.530 1.00 0.86 O ATOM 48 CB LEU A 4 13.343 -5.009 0.632 1.00 0.70 C ATOM 49 CG LEU A 4 12.903 -4.856 -0.816 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.442 -3.548 -1.393 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.359 -6.044 -1.642 1.00 1.01 C ATOM 0 H LEU A 4 14.219 -4.724 2.897 1.00 0.80 H new ATOM 0 HA LEU A 4 12.638 -3.084 1.236 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.419 -4.842 0.680 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.167 -6.041 0.934 1.00 0.70 H new ATOM 0 HG LEU A 4 11.814 -4.824 -0.850 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.121 -3.448 -2.430 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.059 -2.709 -0.812 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.531 -3.552 -1.349 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.034 -5.915 -2.675 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.446 -6.114 -1.609 1.00 1.01 H new ATOM 0 HD23 LEU A 4 12.924 -6.958 -1.236 1.00 1.01 H new ATOM 63 N LEU A 5 10.281 -3.805 1.668 1.00 0.60 N ATOM 64 CA LEU A 5 8.921 -4.109 2.046 1.00 0.64 C ATOM 65 C LEU A 5 8.440 -5.288 1.202 1.00 0.59 C ATOM 66 O LEU A 5 8.441 -5.221 -0.031 1.00 0.61 O ATOM 67 CB LEU A 5 8.050 -2.833 1.853 1.00 0.69 C ATOM 68 CG LEU A 5 6.762 -2.690 2.699 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.150 -1.327 2.486 1.00 1.61 C ATOM 70 CD2 LEU A 5 5.745 -3.733 2.351 1.00 1.54 C ATOM 0 H LEU A 5 10.387 -2.932 1.152 1.00 0.60 H new ATOM 0 HA LEU A 5 8.845 -4.398 3.094 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.679 -1.967 2.056 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.765 -2.780 0.802 1.00 0.69 H new ATOM 0 HG LEU A 5 7.048 -2.820 3.743 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.244 -1.237 3.086 1.00 1.61 H new ATOM 0 HD12 LEU A 5 6.862 -0.558 2.786 1.00 1.61 H new ATOM 0 HD13 LEU A 5 5.901 -1.200 1.432 1.00 1.61 H new ATOM 0 HD21 LEU A 5 4.857 -3.596 2.968 1.00 1.54 H new ATOM 0 HD22 LEU A 5 5.474 -3.640 1.299 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.163 -4.723 2.532 1.00 1.54 H new ATOM 82 N THR A 6 8.112 -6.374 1.861 1.00 0.61 N ATOM 83 CA THR A 6 7.674 -7.571 1.183 1.00 0.63 C ATOM 84 C THR A 6 6.151 -7.654 1.140 1.00 0.57 C ATOM 85 O THR A 6 5.457 -6.794 1.700 1.00 0.59 O ATOM 86 CB THR A 6 8.230 -8.843 1.869 1.00 0.79 C ATOM 87 OG1 THR A 6 7.839 -8.844 3.263 1.00 0.95 O ATOM 88 CG2 THR A 6 9.747 -8.897 1.767 1.00 0.97 C ATOM 0 H THR A 6 8.141 -6.453 2.878 1.00 0.61 H new ATOM 0 HA THR A 6 8.060 -7.517 0.165 1.00 0.63 H new ATOM 0 HB THR A 6 7.820 -9.718 1.365 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.399 -8.212 3.760 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.113 -9.800 2.256 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.041 -8.909 0.717 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.176 -8.021 2.254 1.00 0.97 H new ATOM 96 N THR A 7 5.637 -8.709 0.536 1.00 0.60 N ATOM 97 CA THR A 7 4.219 -8.944 0.469 1.00 0.59 C ATOM 98 C THR A 7 3.678 -9.172 1.896 1.00 0.53 C ATOM 99 O THR A 7 2.600 -8.701 2.252 1.00 0.56 O ATOM 100 CB THR A 7 3.973 -10.192 -0.392 1.00 0.69 C ATOM 101 OG1 THR A 7 4.823 -10.116 -1.553 1.00 0.90 O ATOM 102 CG2 THR A 7 2.520 -10.254 -0.846 1.00 0.81 C ATOM 0 H THR A 7 6.199 -9.426 0.078 1.00 0.60 H new ATOM 0 HA THR A 7 3.709 -8.088 0.028 1.00 0.59 H new ATOM 0 HB THR A 7 4.193 -11.083 0.195 1.00 0.69 H new ATOM 0 HG1 THR A 7 4.681 -10.906 -2.115 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.367 -11.145 -1.455 1.00 0.81 H new ATOM 0 HG22 THR A 7 1.868 -10.294 0.026 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.285 -9.368 -1.435 1.00 0.81 H new ATOM 110 N ASP A 8 4.483 -9.850 2.720 1.00 0.54 N ATOM 111 CA ASP A 8 4.117 -10.155 4.099 1.00 0.54 C ATOM 112 C ASP A 8 4.091 -8.892 4.945 1.00 0.52 C ATOM 113 O ASP A 8 3.224 -8.735 5.803 1.00 0.54 O ATOM 114 CB ASP A 8 5.064 -11.199 4.721 1.00 0.63 C ATOM 115 CG ASP A 8 5.009 -12.542 4.027 1.00 1.48 C ATOM 116 OD1 ASP A 8 5.754 -12.742 3.052 1.00 2.26 O ATOM 117 OD2 ASP A 8 4.192 -13.425 4.440 1.00 1.98 O ATOM 0 H ASP A 8 5.402 -10.200 2.448 1.00 0.54 H new ATOM 0 HA ASP A 8 3.115 -10.583 4.081 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.085 -10.820 4.685 1.00 0.63 H new ATOM 0 HB3 ASP A 8 4.809 -11.330 5.773 1.00 0.63 H new ATOM 122 N ASP A 9 5.021 -7.967 4.679 1.00 0.57 N ATOM 123 CA ASP A 9 5.048 -6.688 5.423 1.00 0.64 C ATOM 124 C ASP A 9 3.849 -5.869 5.035 1.00 0.59 C ATOM 125 O ASP A 9 3.190 -5.264 5.884 1.00 0.63 O ATOM 126 CB ASP A 9 6.301 -5.830 5.154 1.00 0.79 C ATOM 127 CG ASP A 9 7.613 -6.473 5.488 1.00 1.60 C ATOM 128 OD1 ASP A 9 7.841 -6.766 6.675 1.00 1.70 O ATOM 129 OD2 ASP A 9 8.448 -6.693 4.598 1.00 2.47 O ATOM 0 H ASP A 9 5.751 -8.069 3.974 1.00 0.57 H new ATOM 0 HA ASP A 9 5.052 -6.956 6.480 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.310 -5.554 4.099 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.215 -4.905 5.724 1.00 0.79 H new ATOM 134 N LEU A 10 3.545 -5.865 3.742 1.00 0.54 N ATOM 135 CA LEU A 10 2.423 -5.110 3.220 1.00 0.54 C ATOM 136 C LEU A 10 1.121 -5.660 3.759 1.00 0.53 C ATOM 137 O LEU A 10 0.241 -4.907 4.117 1.00 0.59 O ATOM 138 CB LEU A 10 2.404 -5.121 1.691 1.00 0.55 C ATOM 139 CG LEU A 10 1.324 -4.246 1.037 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.548 -2.773 1.360 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.290 -4.470 -0.465 1.00 0.65 C ATOM 0 H LEU A 10 4.067 -6.382 3.035 1.00 0.54 H new ATOM 0 HA LEU A 10 2.538 -4.077 3.548 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.379 -4.794 1.330 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.268 -6.149 1.354 1.00 0.55 H new ATOM 0 HG LEU A 10 0.357 -4.537 1.447 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.771 -2.174 0.886 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.510 -2.627 2.440 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.524 -2.463 0.986 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.519 -3.841 -0.909 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.259 -4.213 -0.893 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.068 -5.517 -0.672 1.00 0.65 H new ATOM 153 N ARG A 11 1.039 -6.983 3.864 1.00 0.49 N ATOM 154 CA ARG A 11 -0.156 -7.655 4.379 1.00 0.50 C ATOM 155 C ARG A 11 -0.452 -7.183 5.808 1.00 0.54 C ATOM 156 O ARG A 11 -1.591 -7.139 6.230 1.00 0.63 O ATOM 157 CB ARG A 11 0.020 -9.179 4.340 1.00 0.51 C ATOM 158 CG ARG A 11 -1.272 -9.966 4.560 1.00 0.61 C ATOM 159 CD ARG A 11 -1.031 -11.467 4.505 1.00 0.72 C ATOM 160 NE ARG A 11 -0.279 -11.944 5.665 1.00 0.96 N ATOM 161 CZ ARG A 11 0.936 -12.507 5.629 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.586 -12.653 4.477 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.486 -12.933 6.746 1.00 1.80 N ATOM 0 H ARG A 11 1.791 -7.618 3.597 1.00 0.49 H new ATOM 0 HA ARG A 11 -1.002 -7.395 3.743 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.443 -9.460 3.376 1.00 0.51 H new ATOM 0 HB3 ARG A 11 0.743 -9.469 5.102 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.700 -9.701 5.527 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -2.003 -9.686 3.801 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.988 -11.986 4.455 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.486 -11.714 3.594 1.00 0.72 H new ATOM 0 HE ARG A 11 -0.717 -11.839 6.580 1.00 0.96 H new ATOM 0 HH11 ARG A 11 1.160 -12.334 3.607 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.511 -13.083 4.464 1.00 1.65 H new ATOM 0 HH21 ARG A 11 0.987 -12.833 7.630 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.411 -13.363 6.728 1.00 1.80 H new ATOM 177 N ARG A 12 0.585 -6.828 6.537 1.00 0.54 N ATOM 178 CA ARG A 12 0.416 -6.279 7.864 1.00 0.60 C ATOM 179 C ARG A 12 0.029 -4.806 7.761 1.00 0.58 C ATOM 180 O ARG A 12 -1.057 -4.409 8.163 1.00 0.66 O ATOM 181 CB ARG A 12 1.711 -6.388 8.680 1.00 0.68 C ATOM 182 CG ARG A 12 2.245 -7.791 8.901 1.00 0.80 C ATOM 183 CD ARG A 12 3.509 -7.726 9.743 1.00 0.96 C ATOM 184 NE ARG A 12 4.055 -9.040 10.067 1.00 1.50 N ATOM 185 CZ ARG A 12 4.285 -9.488 11.311 1.00 2.02 C ATOM 186 NH1 ARG A 12 3.957 -8.742 12.376 1.00 2.23 N ATOM 187 NH2 ARG A 12 4.814 -10.695 11.485 1.00 2.93 N ATOM 0 H ARG A 12 1.555 -6.910 6.232 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.367 -6.848 8.366 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.482 -5.802 8.179 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.543 -5.928 9.654 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.494 -8.403 9.400 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.457 -8.266 7.943 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.264 -7.148 9.209 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.294 -7.191 10.668 1.00 0.96 H new ATOM 0 HE ARG A 12 4.278 -9.664 9.291 1.00 1.50 H new ATOM 0 HH11 ARG A 12 3.529 -7.826 12.244 1.00 2.23 H new ATOM 0 HH12 ARG A 12 4.136 -9.091 13.318 1.00 2.23 H new ATOM 0 HH21 ARG A 12 5.042 -11.273 10.676 1.00 2.93 H new ATOM 0 HH22 ARG A 12 4.992 -11.043 12.427 1.00 2.93 H new ATOM 201 N ALA A 13 0.913 -4.026 7.148 1.00 0.54 N ATOM 202 CA ALA A 13 0.804 -2.562 7.084 1.00 0.58 C ATOM 203 C ALA A 13 -0.472 -2.051 6.426 1.00 0.56 C ATOM 204 O ALA A 13 -1.004 -1.002 6.829 1.00 0.65 O ATOM 205 CB ALA A 13 2.007 -1.969 6.396 1.00 0.66 C ATOM 0 H ALA A 13 1.738 -4.392 6.673 1.00 0.54 H new ATOM 0 HA ALA A 13 0.761 -2.233 8.122 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.907 -0.884 6.359 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.909 -2.231 6.949 1.00 0.66 H new ATOM 0 HB3 ALA A 13 2.076 -2.362 5.382 1.00 0.66 H new ATOM 211 N LEU A 14 -0.946 -2.758 5.424 1.00 0.53 N ATOM 212 CA LEU A 14 -2.156 -2.382 4.727 1.00 0.59 C ATOM 213 C LEU A 14 -3.333 -2.419 5.730 1.00 0.75 C ATOM 214 O LEU A 14 -4.147 -1.488 5.806 1.00 1.02 O ATOM 215 CB LEU A 14 -2.369 -3.358 3.557 1.00 0.54 C ATOM 216 CG LEU A 14 -3.407 -2.988 2.500 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.029 -1.696 1.797 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.549 -4.109 1.489 1.00 1.06 C ATOM 0 H LEU A 14 -0.505 -3.607 5.070 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.087 -1.373 4.321 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.411 -3.491 3.054 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.647 -4.326 3.975 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.363 -2.838 3.001 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -3.784 -1.454 1.049 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -2.970 -0.889 2.527 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.061 -1.816 1.310 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.292 -3.832 0.741 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.590 -4.282 1.001 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.867 -5.019 1.997 1.00 1.06 H new ATOM 230 N VAL A 15 -3.339 -3.451 6.563 1.00 0.71 N ATOM 231 CA VAL A 15 -4.377 -3.655 7.580 1.00 0.83 C ATOM 232 C VAL A 15 -4.245 -2.607 8.687 1.00 0.85 C ATOM 233 O VAL A 15 -5.225 -2.161 9.271 1.00 0.98 O ATOM 234 CB VAL A 15 -4.259 -5.074 8.203 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.331 -5.322 9.270 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.368 -6.123 7.125 1.00 0.91 C ATOM 0 H VAL A 15 -2.623 -4.177 6.557 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.349 -3.555 7.098 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.284 -5.138 8.686 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.212 -6.325 9.679 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.225 -4.589 10.070 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.320 -5.228 8.821 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -4.284 -7.114 7.572 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -5.332 -6.031 6.624 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.567 -5.983 6.399 1.00 0.91 H new ATOM 246 N GLU A 16 -3.027 -2.181 8.921 1.00 0.81 N ATOM 247 CA GLU A 16 -2.713 -1.209 9.966 1.00 0.87 C ATOM 248 C GLU A 16 -3.188 0.194 9.600 1.00 0.89 C ATOM 249 O GLU A 16 -3.154 1.114 10.428 1.00 1.05 O ATOM 250 CB GLU A 16 -1.211 -1.211 10.235 1.00 0.91 C ATOM 251 CG GLU A 16 -0.692 -2.565 10.671 1.00 1.00 C ATOM 252 CD GLU A 16 -1.374 -3.053 11.909 1.00 1.30 C ATOM 253 OE1 GLU A 16 -1.012 -2.597 13.021 1.00 1.90 O ATOM 254 OE2 GLU A 16 -2.311 -3.857 11.805 1.00 1.91 O ATOM 0 H GLU A 16 -2.213 -2.495 8.393 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.245 -1.503 10.871 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -0.685 -0.899 9.333 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -0.984 -0.475 11.006 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -0.840 -3.286 9.867 1.00 1.00 H new ATOM 0 HG3 GLU A 16 0.381 -2.502 10.849 1.00 1.00 H new ATOM 261 N SER A 17 -3.627 0.348 8.380 1.00 0.82 N ATOM 262 CA SER A 17 -4.091 1.607 7.915 1.00 0.93 C ATOM 263 C SER A 17 -5.601 1.546 7.636 1.00 1.03 C ATOM 264 O SER A 17 -6.181 2.479 7.085 1.00 1.22 O ATOM 265 CB SER A 17 -3.307 1.977 6.673 1.00 0.96 C ATOM 266 OG SER A 17 -1.899 1.884 6.936 1.00 1.58 O ATOM 0 H SER A 17 -3.669 -0.401 7.689 1.00 0.82 H new ATOM 0 HA SER A 17 -3.935 2.374 8.673 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.577 1.313 5.852 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.561 2.990 6.361 1.00 0.96 H new ATOM 0 HG SER A 17 -1.621 0.945 6.901 1.00 1.58 H new ATOM 272 N ALA A 18 -6.226 0.455 8.044 1.00 1.04 N ATOM 273 CA ALA A 18 -7.655 0.272 7.874 1.00 1.24 C ATOM 274 C ALA A 18 -8.266 -0.006 9.229 1.00 1.43 C ATOM 275 O ALA A 18 -7.837 -0.918 9.925 1.00 1.88 O ATOM 276 CB ALA A 18 -7.942 -0.867 6.906 1.00 1.25 C ATOM 0 H ALA A 18 -5.757 -0.327 8.501 1.00 1.04 H new ATOM 0 HA ALA A 18 -8.095 1.175 7.451 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -9.020 -0.986 6.794 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -7.499 -0.641 5.936 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -7.513 -1.791 7.294 1.00 1.25 H new ATOM 282 N GLY A 19 -9.227 0.784 9.610 1.00 1.86 N ATOM 283 CA GLY A 19 -9.818 0.645 10.920 1.00 2.13 C ATOM 284 C GLY A 19 -11.130 -0.101 10.932 1.00 2.09 C ATOM 285 O GLY A 19 -11.268 -1.112 11.617 1.00 2.45 O ATOM 0 H GLY A 19 -9.621 1.531 9.038 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -9.113 0.128 11.571 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -9.974 1.637 11.343 1.00 2.13 H new ATOM 289 N GLU A 20 -12.090 0.373 10.172 1.00 2.13 N ATOM 290 CA GLU A 20 -13.436 -0.204 10.193 1.00 2.46 C ATOM 291 C GLU A 20 -13.607 -1.225 9.113 1.00 2.48 C ATOM 292 O GLU A 20 -14.605 -1.938 9.039 1.00 3.18 O ATOM 293 CB GLU A 20 -14.546 0.864 10.132 1.00 3.09 C ATOM 294 CG GLU A 20 -14.457 1.848 8.970 1.00 3.54 C ATOM 295 CD GLU A 20 -13.366 2.862 9.157 1.00 4.23 C ATOM 296 OE1 GLU A 20 -13.611 3.893 9.831 1.00 4.67 O ATOM 297 OE2 GLU A 20 -12.242 2.625 8.698 1.00 4.69 O ATOM 0 H GLU A 20 -11.975 1.156 9.528 1.00 2.13 H new ATOM 0 HA GLU A 20 -13.541 -0.705 11.155 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -15.510 0.357 10.081 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -14.532 1.429 11.064 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -14.283 1.298 8.045 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -15.412 2.362 8.860 1.00 3.54 H new ATOM 304 N THR A 21 -12.634 -1.290 8.293 1.00 2.07 N ATOM 305 CA THR A 21 -12.579 -2.242 7.260 1.00 2.31 C ATOM 306 C THR A 21 -11.730 -3.394 7.741 1.00 2.42 C ATOM 307 O THR A 21 -10.542 -3.511 7.442 1.00 2.89 O ATOM 308 CB THR A 21 -12.028 -1.614 5.976 1.00 2.31 C ATOM 309 OG1 THR A 21 -12.881 -0.501 5.610 1.00 2.58 O ATOM 310 CG2 THR A 21 -11.992 -2.630 4.842 1.00 2.00 C ATOM 0 H THR A 21 -11.830 -0.663 8.323 1.00 2.07 H new ATOM 0 HA THR A 21 -13.576 -2.608 7.017 1.00 2.31 H new ATOM 0 HB THR A 21 -11.008 -1.273 6.151 1.00 2.31 H new ATOM 0 HG1 THR A 21 -12.542 -0.085 4.790 1.00 2.58 H new ATOM 0 HG21 THR A 21 -11.597 -2.158 3.943 1.00 2.00 H new ATOM 0 HG22 THR A 21 -11.353 -3.467 5.123 1.00 2.00 H new ATOM 0 HG23 THR A 21 -13.001 -2.994 4.647 1.00 2.00 H new ATOM 318 N ASP A 22 -12.319 -4.138 8.614 1.00 2.59 N ATOM 319 CA ASP A 22 -11.702 -5.284 9.173 1.00 2.92 C ATOM 320 C ASP A 22 -12.459 -6.498 8.753 1.00 2.46 C ATOM 321 O ASP A 22 -13.688 -6.505 8.769 1.00 3.05 O ATOM 322 CB ASP A 22 -11.641 -5.191 10.697 1.00 3.98 C ATOM 323 CG ASP A 22 -11.199 -6.492 11.334 1.00 4.45 C ATOM 324 OD1 ASP A 22 -10.031 -6.892 11.130 1.00 4.98 O ATOM 325 OD2 ASP A 22 -12.008 -7.146 12.031 1.00 4.62 O ATOM 0 H ASP A 22 -13.261 -3.960 8.963 1.00 2.59 H new ATOM 0 HA ASP A 22 -10.677 -5.347 8.809 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -10.952 -4.396 10.983 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -12.623 -4.916 11.082 1.00 3.98 H new ATOM 330 N GLY A 23 -11.751 -7.481 8.317 1.00 1.97 N ATOM 331 CA GLY A 23 -12.376 -8.708 7.964 1.00 2.01 C ATOM 332 C GLY A 23 -12.380 -8.972 6.489 1.00 1.57 C ATOM 333 O GLY A 23 -13.271 -9.646 5.977 1.00 1.97 O ATOM 0 H GLY A 23 -10.738 -7.460 8.196 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -11.864 -9.526 8.471 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -13.404 -8.701 8.327 1.00 2.01 H new ATOM 337 N THR A 24 -11.412 -8.454 5.800 1.00 1.42 N ATOM 338 CA THR A 24 -11.285 -8.696 4.396 1.00 1.24 C ATOM 339 C THR A 24 -10.441 -9.962 4.177 1.00 1.16 C ATOM 340 O THR A 24 -10.233 -10.750 5.130 1.00 1.49 O ATOM 341 CB THR A 24 -10.656 -7.466 3.716 1.00 1.62 C ATOM 342 OG1 THR A 24 -9.500 -7.054 4.469 1.00 2.43 O ATOM 343 CG2 THR A 24 -11.652 -6.318 3.668 1.00 1.98 C ATOM 0 H THR A 24 -10.688 -7.852 6.193 1.00 1.42 H new ATOM 0 HA THR A 24 -12.265 -8.859 3.948 1.00 1.24 H new ATOM 0 HB THR A 24 -10.372 -7.730 2.698 1.00 1.62 H new ATOM 0 HG1 THR A 24 -9.093 -6.272 4.041 1.00 2.43 H new ATOM 0 HG21 THR A 24 -11.191 -5.457 3.184 1.00 1.98 H new ATOM 0 HG22 THR A 24 -12.533 -6.624 3.103 1.00 1.98 H new ATOM 0 HG23 THR A 24 -11.947 -6.050 4.682 1.00 1.98 H new ATOM 351 N ASP A 25 -9.983 -10.203 2.984 1.00 1.06 N ATOM 352 CA ASP A 25 -9.082 -11.313 2.770 1.00 1.14 C ATOM 353 C ASP A 25 -7.867 -10.798 2.109 1.00 0.91 C ATOM 354 O ASP A 25 -7.939 -10.208 1.033 1.00 1.11 O ATOM 355 CB ASP A 25 -9.673 -12.459 1.947 1.00 1.52 C ATOM 356 CG ASP A 25 -8.722 -13.666 1.916 1.00 1.99 C ATOM 357 OD1 ASP A 25 -7.783 -13.677 1.088 1.00 2.41 O ATOM 358 OD2 ASP A 25 -8.903 -14.633 2.689 1.00 2.49 O ATOM 0 H ASP A 25 -10.210 -9.659 2.151 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.864 -11.742 3.748 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.632 -12.758 2.371 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.866 -12.118 0.930 1.00 1.52 H new ATOM 363 N LEU A 26 -6.773 -10.958 2.759 1.00 0.84 N ATOM 364 CA LEU A 26 -5.536 -10.480 2.258 1.00 0.77 C ATOM 365 C LEU A 26 -4.550 -11.638 2.307 1.00 0.86 C ATOM 366 O LEU A 26 -3.346 -11.448 2.300 1.00 1.05 O ATOM 367 CB LEU A 26 -5.072 -9.339 3.176 1.00 0.94 C ATOM 368 CG LEU A 26 -4.251 -8.235 2.527 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.101 -7.486 1.516 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.722 -7.283 3.577 1.00 1.11 C ATOM 0 H LEU A 26 -6.710 -11.428 3.662 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.616 -10.110 1.236 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -5.954 -8.886 3.629 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.483 -9.771 3.985 1.00 0.94 H new ATOM 0 HG LEU A 26 -3.402 -8.684 2.012 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -4.507 -6.697 1.055 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.445 -8.177 0.747 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -5.962 -7.045 2.019 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.137 -6.499 3.096 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -4.557 -6.834 4.115 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.090 -7.829 4.278 1.00 1.11 H new ATOM 382 N SER A 27 -5.074 -12.849 2.313 1.00 0.96 N ATOM 383 CA SER A 27 -4.220 -13.999 2.506 1.00 1.13 C ATOM 384 C SER A 27 -4.219 -14.922 1.299 1.00 1.20 C ATOM 385 O SER A 27 -3.274 -15.694 1.075 1.00 1.66 O ATOM 386 CB SER A 27 -4.594 -14.727 3.811 1.00 1.36 C ATOM 387 OG SER A 27 -3.626 -15.694 4.187 1.00 1.89 O ATOM 0 H SER A 27 -6.065 -13.057 2.189 1.00 0.96 H new ATOM 0 HA SER A 27 -3.193 -13.648 2.606 1.00 1.13 H new ATOM 0 HB2 SER A 27 -4.704 -13.997 4.613 1.00 1.36 H new ATOM 0 HB3 SER A 27 -5.561 -15.214 3.688 1.00 1.36 H new ATOM 0 HG SER A 27 -3.904 -16.129 5.020 1.00 1.89 H new ATOM 393 N GLY A 28 -5.220 -14.805 0.510 1.00 1.48 N ATOM 394 CA GLY A 28 -5.348 -15.639 -0.668 1.00 1.67 C ATOM 395 C GLY A 28 -4.846 -14.950 -1.899 1.00 1.54 C ATOM 396 O GLY A 28 -5.571 -14.831 -2.875 1.00 2.30 O ATOM 0 H GLY A 28 -5.980 -14.138 0.644 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -4.793 -16.565 -0.519 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -6.394 -15.913 -0.807 1.00 1.67 H new ATOM 400 N ASP A 29 -3.586 -14.515 -1.840 1.00 1.09 N ATOM 401 CA ASP A 29 -2.902 -13.765 -2.915 1.00 1.07 C ATOM 402 C ASP A 29 -3.618 -12.461 -3.246 1.00 0.87 C ATOM 403 O ASP A 29 -4.545 -12.405 -4.054 1.00 1.13 O ATOM 404 CB ASP A 29 -2.671 -14.589 -4.188 1.00 1.48 C ATOM 405 CG ASP A 29 -1.852 -13.825 -5.220 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.612 -13.883 -5.194 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.448 -13.159 -6.082 1.00 2.97 O ATOM 0 H ASP A 29 -2.991 -14.674 -1.027 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.918 -13.527 -2.512 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -2.158 -15.516 -3.932 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -3.633 -14.866 -4.621 1.00 1.48 H new ATOM 412 N PHE A 30 -3.200 -11.419 -2.596 1.00 0.67 N ATOM 413 CA PHE A 30 -3.812 -10.121 -2.786 1.00 0.57 C ATOM 414 C PHE A 30 -2.929 -9.246 -3.653 1.00 0.49 C ATOM 415 O PHE A 30 -3.301 -8.144 -4.005 1.00 0.48 O ATOM 416 CB PHE A 30 -4.020 -9.438 -1.423 1.00 0.59 C ATOM 417 CG PHE A 30 -2.735 -9.053 -0.703 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.978 -9.998 -0.028 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.289 -7.737 -0.708 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.815 -9.642 0.623 1.00 0.74 C ATOM 421 CE2 PHE A 30 -1.128 -7.376 -0.059 1.00 0.65 C ATOM 422 CZ PHE A 30 -0.391 -8.331 0.607 1.00 0.73 C ATOM 0 H PHE A 30 -2.433 -11.433 -1.923 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.775 -10.259 -3.278 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.622 -8.541 -1.569 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.594 -10.106 -0.781 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -2.303 -11.028 -0.012 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.862 -6.984 -1.229 1.00 0.58 H new ATOM 0 HE1 PHE A 30 -0.237 -10.390 1.145 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.797 -6.348 -0.072 1.00 0.65 H new ATOM 0 HZ PHE A 30 0.519 -8.052 1.117 1.00 0.73 H new ATOM 432 N LEU A 31 -1.778 -9.772 -4.032 1.00 0.54 N ATOM 433 CA LEU A 31 -0.744 -8.981 -4.687 1.00 0.60 C ATOM 434 C LEU A 31 -1.175 -8.477 -6.074 1.00 0.63 C ATOM 435 O LEU A 31 -0.849 -7.347 -6.458 1.00 0.72 O ATOM 436 CB LEU A 31 0.563 -9.776 -4.747 1.00 0.75 C ATOM 437 CG LEU A 31 1.817 -9.005 -5.159 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.106 -7.892 -4.161 1.00 0.75 C ATOM 439 CD2 LEU A 31 3.005 -9.941 -5.252 1.00 1.43 C ATOM 0 H LEU A 31 -1.532 -10.753 -3.897 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.578 -8.086 -4.087 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.740 -10.214 -3.765 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.427 -10.602 -5.445 1.00 0.75 H new ATOM 0 HG LEU A 31 1.643 -8.561 -6.139 1.00 0.82 H new ATOM 0 HD11 LEU A 31 3.002 -7.352 -4.468 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.261 -7.204 -4.128 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.262 -8.322 -3.172 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.890 -9.377 -5.546 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.178 -10.407 -4.282 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.803 -10.713 -5.995 1.00 1.43 H new ATOM 451 N ASP A 32 -1.924 -9.294 -6.801 1.00 0.66 N ATOM 452 CA ASP A 32 -2.429 -8.901 -8.127 1.00 0.83 C ATOM 453 C ASP A 32 -3.904 -8.646 -8.097 1.00 0.73 C ATOM 454 O ASP A 32 -4.543 -8.475 -9.149 1.00 0.96 O ATOM 455 CB ASP A 32 -2.123 -9.936 -9.209 1.00 1.10 C ATOM 456 CG ASP A 32 -0.690 -9.949 -9.617 1.00 1.70 C ATOM 457 OD1 ASP A 32 -0.230 -8.979 -10.273 1.00 2.33 O ATOM 458 OD2 ASP A 32 0.013 -10.937 -9.314 1.00 2.26 O ATOM 0 H ASP A 32 -2.199 -10.230 -6.505 1.00 0.66 H new ATOM 0 HA ASP A 32 -1.903 -7.980 -8.380 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.400 -10.926 -8.846 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.742 -9.733 -10.083 1.00 1.10 H new ATOM 463 N LEU A 33 -4.455 -8.599 -6.916 1.00 0.50 N ATOM 464 CA LEU A 33 -5.866 -8.359 -6.763 1.00 0.50 C ATOM 465 C LEU A 33 -6.046 -6.843 -6.731 1.00 0.50 C ATOM 466 O LEU A 33 -5.076 -6.128 -6.529 1.00 0.78 O ATOM 467 CB LEU A 33 -6.370 -9.031 -5.472 1.00 0.49 C ATOM 468 CG LEU A 33 -7.888 -9.166 -5.319 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.470 -9.979 -6.472 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.229 -9.826 -3.993 1.00 0.70 C ATOM 0 H LEU A 33 -3.947 -8.724 -6.040 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.448 -8.783 -7.582 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.931 -10.027 -5.412 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.991 -8.464 -4.622 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.326 -8.168 -5.338 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.549 -10.065 -6.348 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.252 -9.479 -7.416 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.025 -10.974 -6.477 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.311 -9.915 -3.899 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.778 -10.818 -3.954 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.842 -9.219 -3.174 1.00 0.70 H new ATOM 482 N ARG A 34 -7.228 -6.339 -6.930 1.00 0.34 N ATOM 483 CA ARG A 34 -7.376 -4.898 -7.015 1.00 0.37 C ATOM 484 C ARG A 34 -7.817 -4.364 -5.670 1.00 0.35 C ATOM 485 O ARG A 34 -8.446 -5.091 -4.888 1.00 0.40 O ATOM 486 CB ARG A 34 -8.382 -4.505 -8.110 1.00 0.45 C ATOM 487 CG ARG A 34 -8.110 -5.165 -9.458 1.00 0.60 C ATOM 488 CD ARG A 34 -9.084 -4.695 -10.525 1.00 1.01 C ATOM 489 NE ARG A 34 -8.857 -3.298 -10.916 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.703 -2.545 -11.635 1.00 2.51 C ATOM 491 NH1 ARG A 34 -10.813 -3.070 -12.134 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.397 -1.286 -11.900 1.00 3.50 N ATOM 0 H ARG A 34 -8.088 -6.878 -7.035 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.415 -4.460 -7.284 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.386 -4.772 -7.781 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.365 -3.422 -8.235 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.091 -4.941 -9.773 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.181 -6.248 -9.353 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -8.993 -5.334 -11.403 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -10.104 -4.805 -10.156 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.984 -2.864 -10.616 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.029 -4.054 -11.972 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -11.451 -2.490 -12.680 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -8.521 -0.891 -11.558 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.037 -0.710 -12.446 1.00 3.50 H new ATOM 506 N PHE A 35 -7.505 -3.105 -5.391 1.00 0.36 N ATOM 507 CA PHE A 35 -7.889 -2.479 -4.115 1.00 0.39 C ATOM 508 C PHE A 35 -9.401 -2.487 -3.879 1.00 0.47 C ATOM 509 O PHE A 35 -9.853 -2.528 -2.739 1.00 0.54 O ATOM 510 CB PHE A 35 -7.303 -1.069 -3.950 1.00 0.41 C ATOM 511 CG PHE A 35 -5.821 -1.058 -3.673 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.331 -1.240 -2.393 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.918 -0.856 -4.706 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.972 -1.227 -2.148 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.556 -0.840 -4.466 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.094 -1.048 -3.137 1.00 0.47 C ATOM 0 H PHE A 35 -6.989 -2.492 -6.023 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.446 -3.104 -3.340 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.499 -0.495 -4.856 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.820 -0.563 -3.135 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.019 -1.394 -1.575 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.283 -0.709 -5.712 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.613 -1.364 -1.139 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.857 -0.673 -5.272 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.034 -1.061 -2.929 1.00 0.47 H new ATOM 526 N GLU A 36 -10.175 -2.505 -4.953 1.00 0.57 N ATOM 527 CA GLU A 36 -11.630 -2.558 -4.850 1.00 0.76 C ATOM 528 C GLU A 36 -12.089 -3.938 -4.336 1.00 0.74 C ATOM 529 O GLU A 36 -13.114 -4.061 -3.670 1.00 0.87 O ATOM 530 CB GLU A 36 -12.286 -2.305 -6.211 1.00 0.97 C ATOM 531 CG GLU A 36 -11.931 -3.351 -7.260 1.00 1.31 C ATOM 532 CD GLU A 36 -12.833 -3.301 -8.445 1.00 1.56 C ATOM 533 OE1 GLU A 36 -14.043 -3.563 -8.295 1.00 2.06 O ATOM 534 OE2 GLU A 36 -12.360 -3.058 -9.545 1.00 1.81 O ATOM 0 H GLU A 36 -9.821 -2.484 -5.909 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.934 -1.781 -4.149 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -13.368 -2.281 -6.085 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -11.985 -1.322 -6.573 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -10.901 -3.200 -7.585 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -11.981 -4.343 -6.811 1.00 1.31 H new ATOM 541 N ASP A 37 -11.309 -4.967 -4.635 1.00 0.66 N ATOM 542 CA ASP A 37 -11.672 -6.330 -4.272 1.00 0.73 C ATOM 543 C ASP A 37 -11.337 -6.552 -2.830 1.00 0.73 C ATOM 544 O ASP A 37 -12.042 -7.243 -2.103 1.00 0.89 O ATOM 545 CB ASP A 37 -10.929 -7.371 -5.116 1.00 0.75 C ATOM 546 CG ASP A 37 -11.081 -7.189 -6.602 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.224 -7.170 -7.081 1.00 1.28 O ATOM 548 OD2 ASP A 37 -10.060 -7.014 -7.312 1.00 2.20 O ATOM 0 H ASP A 37 -10.420 -4.884 -5.128 1.00 0.66 H new ATOM 0 HA ASP A 37 -12.740 -6.451 -4.454 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -9.869 -7.336 -4.864 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.288 -8.364 -4.845 1.00 0.75 H new ATOM 553 N ILE A 38 -10.263 -5.932 -2.396 1.00 0.63 N ATOM 554 CA ILE A 38 -9.834 -6.057 -1.026 1.00 0.68 C ATOM 555 C ILE A 38 -10.522 -5.032 -0.113 1.00 0.68 C ATOM 556 O ILE A 38 -10.182 -4.910 1.052 1.00 0.73 O ATOM 557 CB ILE A 38 -8.287 -6.022 -0.860 1.00 0.68 C ATOM 558 CG1 ILE A 38 -7.697 -4.719 -1.418 1.00 0.55 C ATOM 559 CG2 ILE A 38 -7.662 -7.228 -1.551 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.188 -4.607 -1.286 1.00 0.64 C ATOM 0 H ILE A 38 -9.671 -5.336 -2.975 1.00 0.63 H new ATOM 0 HA ILE A 38 -10.151 -7.050 -0.707 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.057 -6.062 0.205 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -7.965 -4.635 -2.471 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.158 -3.876 -0.904 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -6.579 -7.196 -1.430 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -8.050 -8.144 -1.105 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -7.909 -7.208 -2.612 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.856 -3.657 -1.705 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -5.910 -4.656 -0.233 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -5.714 -5.427 -1.825 1.00 0.64 H new ATOM 572 N GLY A 39 -11.555 -4.375 -0.652 1.00 0.69 N ATOM 573 CA GLY A 39 -12.363 -3.427 0.106 1.00 0.77 C ATOM 574 C GLY A 39 -11.593 -2.224 0.609 1.00 0.65 C ATOM 575 O GLY A 39 -11.796 -1.780 1.729 1.00 0.74 O ATOM 0 H GLY A 39 -11.850 -4.488 -1.622 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.185 -3.083 -0.522 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -12.807 -3.943 0.957 1.00 0.77 H new ATOM 579 N TYR A 40 -10.714 -1.695 -0.201 1.00 0.52 N ATOM 580 CA TYR A 40 -9.953 -0.556 0.212 1.00 0.47 C ATOM 581 C TYR A 40 -10.498 0.731 -0.289 1.00 0.49 C ATOM 582 O TYR A 40 -10.898 0.858 -1.453 1.00 0.61 O ATOM 583 CB TYR A 40 -8.462 -0.704 -0.035 1.00 0.46 C ATOM 584 CG TYR A 40 -7.788 -1.325 1.143 1.00 0.50 C ATOM 585 CD1 TYR A 40 -7.972 -2.666 1.421 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.938 -0.593 1.948 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.333 -3.265 2.471 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.280 -1.174 2.998 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.610 -2.442 3.374 1.00 0.81 C ATOM 590 OH TYR A 40 -5.817 -3.072 4.316 1.00 1.02 O ATOM 0 H TYR A 40 -10.512 -2.034 -1.141 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.067 -0.519 1.295 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.295 -1.317 -0.920 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.024 0.273 -0.237 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.632 -3.251 0.798 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.790 0.457 1.745 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.377 -4.335 2.610 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.507 -0.633 3.524 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.633 -2.454 5.054 1.00 1.02 H new ATOM 600 N ASP A 41 -10.549 1.674 0.614 1.00 0.48 N ATOM 601 CA ASP A 41 -11.062 2.985 0.333 1.00 0.56 C ATOM 602 C ASP A 41 -9.976 3.810 -0.348 1.00 0.45 C ATOM 603 O ASP A 41 -8.803 3.417 -0.392 1.00 0.39 O ATOM 604 CB ASP A 41 -11.506 3.673 1.635 1.00 0.75 C ATOM 605 CG ASP A 41 -12.391 4.881 1.413 1.00 1.11 C ATOM 606 OD1 ASP A 41 -11.864 5.985 1.196 1.00 2.01 O ATOM 607 OD2 ASP A 41 -13.624 4.728 1.405 1.00 1.20 O ATOM 0 H ASP A 41 -10.232 1.550 1.575 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.926 2.902 -0.326 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.040 2.951 2.253 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -10.622 3.979 2.194 1.00 0.75 H new ATOM 612 N SER A 42 -10.359 4.950 -0.786 1.00 0.57 N ATOM 613 CA SER A 42 -9.540 5.848 -1.511 1.00 0.62 C ATOM 614 C SER A 42 -8.630 6.552 -0.497 1.00 0.53 C ATOM 615 O SER A 42 -7.405 6.584 -0.646 1.00 0.54 O ATOM 616 CB SER A 42 -10.487 6.836 -2.195 1.00 0.83 C ATOM 617 OG SER A 42 -9.844 7.606 -3.240 1.00 1.24 O ATOM 0 H SER A 42 -11.305 5.302 -0.641 1.00 0.57 H new ATOM 0 HA SER A 42 -8.916 5.362 -2.261 1.00 0.62 H new ATOM 0 HB2 SER A 42 -11.329 6.289 -2.620 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.894 7.517 -1.448 1.00 0.83 H new ATOM 622 N LEU A 43 -9.245 7.013 0.590 1.00 0.53 N ATOM 623 CA LEU A 43 -8.539 7.721 1.647 1.00 0.54 C ATOM 624 C LEU A 43 -7.652 6.761 2.421 1.00 0.45 C ATOM 625 O LEU A 43 -6.531 7.105 2.814 1.00 0.47 O ATOM 626 CB LEU A 43 -9.540 8.398 2.593 1.00 0.68 C ATOM 627 CG LEU A 43 -10.430 9.477 1.970 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.465 9.947 2.973 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.588 10.653 1.502 1.00 0.90 C ATOM 0 H LEU A 43 -10.245 6.905 0.760 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.912 8.489 1.194 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.182 7.628 3.021 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -8.985 8.845 3.418 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.942 9.048 1.109 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.091 10.714 2.517 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.086 9.104 3.277 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -10.963 10.361 3.847 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.235 11.411 1.062 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.055 11.080 2.352 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.869 10.312 0.757 1.00 0.90 H new ATOM 641 N ALA A 44 -8.143 5.537 2.587 1.00 0.44 N ATOM 642 CA ALA A 44 -7.435 4.480 3.294 1.00 0.41 C ATOM 643 C ALA A 44 -6.086 4.200 2.667 1.00 0.35 C ATOM 644 O ALA A 44 -5.119 3.933 3.367 1.00 0.38 O ATOM 645 CB ALA A 44 -8.267 3.209 3.344 1.00 0.43 C ATOM 0 H ALA A 44 -9.054 5.250 2.230 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.267 4.827 4.314 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.716 2.434 3.877 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.205 3.409 3.861 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.477 2.871 2.329 1.00 0.43 H new ATOM 651 N LEU A 45 -6.006 4.292 1.353 1.00 0.34 N ATOM 652 CA LEU A 45 -4.766 4.036 0.668 1.00 0.33 C ATOM 653 C LEU A 45 -3.783 5.208 0.858 1.00 0.32 C ATOM 654 O LEU A 45 -2.588 4.998 1.022 1.00 0.36 O ATOM 655 CB LEU A 45 -5.027 3.758 -0.795 1.00 0.48 C ATOM 656 CG LEU A 45 -3.814 3.369 -1.657 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.774 2.574 -0.872 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.314 2.474 -2.700 1.00 0.37 C ATOM 0 H LEU A 45 -6.786 4.542 0.745 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.301 3.150 1.101 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.762 2.956 -0.862 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.483 4.646 -1.233 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.349 4.281 -2.032 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.938 2.324 -1.525 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.414 3.173 -0.035 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.226 1.657 -0.494 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.489 2.167 -3.342 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.762 1.594 -2.240 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.064 2.993 -3.296 1.00 0.37 H new ATOM 670 N MET A 46 -4.306 6.432 0.893 1.00 0.37 N ATOM 671 CA MET A 46 -3.467 7.644 1.102 1.00 0.46 C ATOM 672 C MET A 46 -2.808 7.516 2.454 1.00 0.48 C ATOM 673 O MET A 46 -1.618 7.787 2.641 1.00 0.54 O ATOM 674 CB MET A 46 -4.333 8.908 1.134 1.00 0.59 C ATOM 675 CG MET A 46 -5.385 8.949 0.067 1.00 0.54 C ATOM 676 SD MET A 46 -6.319 10.498 0.031 1.00 0.89 S ATOM 677 CE MET A 46 -5.021 11.689 -0.306 1.00 1.84 C ATOM 0 H MET A 46 -5.301 6.626 0.781 1.00 0.37 H new ATOM 0 HA MET A 46 -2.743 7.721 0.290 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.815 8.982 2.109 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.689 9.781 1.029 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.913 8.796 -0.903 1.00 0.54 H new ATOM 0 HG3 MET A 46 -6.077 8.121 0.218 1.00 0.54 H new ATOM 0 HE1 MET A 46 -5.462 12.674 -0.462 1.00 1.84 H new ATOM 0 HE2 MET A 46 -4.335 11.728 0.540 1.00 1.84 H new ATOM 0 HE3 MET A 46 -4.476 11.390 -1.201 1.00 1.84 H new ATOM 687 N GLU A 47 -3.620 7.088 3.369 1.00 0.49 N ATOM 688 CA GLU A 47 -3.269 6.797 4.716 1.00 0.55 C ATOM 689 C GLU A 47 -2.248 5.645 4.809 1.00 0.54 C ATOM 690 O GLU A 47 -1.240 5.764 5.503 1.00 0.71 O ATOM 691 CB GLU A 47 -4.561 6.502 5.428 1.00 0.58 C ATOM 692 CG GLU A 47 -5.282 7.748 5.876 1.00 0.82 C ATOM 693 CD GLU A 47 -6.577 7.459 6.559 1.00 1.48 C ATOM 694 OE1 GLU A 47 -6.586 6.698 7.543 1.00 1.84 O ATOM 695 OE2 GLU A 47 -7.623 7.991 6.135 1.00 2.31 O ATOM 0 H GLU A 47 -4.608 6.923 3.178 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.763 7.639 5.188 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.212 5.930 4.767 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.357 5.875 6.296 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.638 8.310 6.553 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.468 8.384 5.011 1.00 0.82 H new ATOM 702 N THR A 48 -2.512 4.564 4.083 1.00 0.42 N ATOM 703 CA THR A 48 -1.598 3.415 3.973 1.00 0.42 C ATOM 704 C THR A 48 -0.210 3.894 3.512 1.00 0.39 C ATOM 705 O THR A 48 0.821 3.536 4.094 1.00 0.41 O ATOM 706 CB THR A 48 -2.171 2.397 2.937 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.434 1.881 3.388 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.214 1.238 2.670 1.00 0.45 C ATOM 0 H THR A 48 -3.372 4.452 3.547 1.00 0.42 H new ATOM 0 HA THR A 48 -1.504 2.933 4.946 1.00 0.42 H new ATOM 0 HB THR A 48 -2.305 2.941 2.002 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.156 2.468 3.081 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.659 0.559 1.943 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.274 1.625 2.277 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.024 0.701 3.600 1.00 0.45 H new ATOM 716 N ALA A 49 -0.216 4.719 2.486 1.00 0.39 N ATOM 717 CA ALA A 49 0.993 5.252 1.896 1.00 0.40 C ATOM 718 C ALA A 49 1.758 6.094 2.909 1.00 0.42 C ATOM 719 O ALA A 49 2.934 5.852 3.143 1.00 0.41 O ATOM 720 CB ALA A 49 0.671 6.068 0.648 1.00 0.43 C ATOM 0 H ALA A 49 -1.071 5.042 2.033 1.00 0.39 H new ATOM 0 HA ALA A 49 1.626 4.416 1.600 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.594 6.459 0.221 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.173 5.432 -0.084 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.015 6.897 0.914 1.00 0.43 H new ATOM 726 N ALA A 50 1.059 7.039 3.544 1.00 0.46 N ATOM 727 CA ALA A 50 1.650 7.937 4.547 1.00 0.51 C ATOM 728 C ALA A 50 2.262 7.149 5.704 1.00 0.49 C ATOM 729 O ALA A 50 3.329 7.506 6.231 1.00 0.49 O ATOM 730 CB ALA A 50 0.600 8.915 5.064 1.00 0.62 C ATOM 0 H ALA A 50 0.066 7.205 3.379 1.00 0.46 H new ATOM 0 HA ALA A 50 2.450 8.500 4.067 1.00 0.51 H new ATOM 0 HB1 ALA A 50 1.051 9.574 5.806 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.217 9.510 4.235 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.220 8.361 5.521 1.00 0.62 H new ATOM 736 N ARG A 51 1.588 6.074 6.077 1.00 0.51 N ATOM 737 CA ARG A 51 2.041 5.167 7.126 1.00 0.54 C ATOM 738 C ARG A 51 3.404 4.582 6.743 1.00 0.50 C ATOM 739 O ARG A 51 4.366 4.607 7.524 1.00 0.61 O ATOM 740 CB ARG A 51 1.008 4.027 7.292 1.00 0.62 C ATOM 741 CG ARG A 51 1.363 2.891 8.261 1.00 0.87 C ATOM 742 CD ARG A 51 1.040 3.216 9.713 1.00 1.36 C ATOM 743 NE ARG A 51 -0.366 3.609 9.883 1.00 2.18 N ATOM 744 CZ ARG A 51 -0.923 4.009 11.037 1.00 3.05 C ATOM 745 NH1 ARG A 51 -0.175 4.149 12.127 1.00 3.48 N ATOM 746 NH2 ARG A 51 -2.216 4.325 11.078 1.00 3.91 N ATOM 0 H ARG A 51 0.700 5.801 5.657 1.00 0.51 H new ATOM 0 HA ARG A 51 2.137 5.709 8.067 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.068 4.469 7.621 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.828 3.589 6.310 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.823 1.991 7.968 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.426 2.667 8.174 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.253 2.347 10.336 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.687 4.022 10.058 1.00 1.36 H new ATOM 0 HE ARG A 51 -0.966 3.575 9.059 1.00 2.18 H new ATOM 0 HH11 ARG A 51 0.825 3.952 12.088 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -0.601 4.453 13.002 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -2.783 4.263 10.233 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -2.639 4.629 11.955 1.00 3.91 H new ATOM 760 N LEU A 52 3.471 4.081 5.530 1.00 0.41 N ATOM 761 CA LEU A 52 4.669 3.462 5.008 1.00 0.39 C ATOM 762 C LEU A 52 5.779 4.486 4.820 1.00 0.36 C ATOM 763 O LEU A 52 6.944 4.204 5.132 1.00 0.38 O ATOM 764 CB LEU A 52 4.357 2.734 3.703 1.00 0.36 C ATOM 765 CG LEU A 52 3.321 1.614 3.816 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.040 0.991 2.467 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.780 0.561 4.802 1.00 0.48 C ATOM 0 H LEU A 52 2.691 4.092 4.873 1.00 0.41 H new ATOM 0 HA LEU A 52 5.025 2.730 5.733 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.003 3.463 2.974 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.282 2.313 3.310 1.00 0.36 H new ATOM 0 HG LEU A 52 2.393 2.052 4.183 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.300 0.198 2.579 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.656 1.752 1.788 1.00 0.41 H new ATOM 0 HD13 LEU A 52 3.961 0.573 2.060 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.030 -0.227 4.868 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.725 0.135 4.465 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.916 1.016 5.783 1.00 0.48 H new ATOM 779 N GLU A 53 5.407 5.679 4.339 1.00 0.35 N ATOM 780 CA GLU A 53 6.351 6.780 4.152 1.00 0.37 C ATOM 781 C GLU A 53 7.072 7.094 5.455 1.00 0.41 C ATOM 782 O GLU A 53 8.306 7.132 5.500 1.00 0.45 O ATOM 783 CB GLU A 53 5.643 8.060 3.676 1.00 0.40 C ATOM 784 CG GLU A 53 5.004 8.007 2.302 1.00 0.44 C ATOM 785 CD GLU A 53 4.351 9.327 1.941 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.198 9.559 2.306 1.00 0.91 O ATOM 787 OE2 GLU A 53 5.007 10.184 1.301 1.00 0.65 O ATOM 0 H GLU A 53 4.449 5.904 4.071 1.00 0.35 H new ATOM 0 HA GLU A 53 7.063 6.458 3.392 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.871 8.313 4.402 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.368 8.874 3.684 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.760 7.758 1.557 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.258 7.212 2.277 1.00 0.44 H new ATOM 794 N SER A 54 6.302 7.253 6.511 1.00 0.45 N ATOM 795 CA SER A 54 6.826 7.656 7.791 1.00 0.54 C ATOM 796 C SER A 54 7.602 6.517 8.491 1.00 0.52 C ATOM 797 O SER A 54 8.574 6.769 9.220 1.00 0.62 O ATOM 798 CB SER A 54 5.681 8.184 8.674 1.00 0.69 C ATOM 799 OG SER A 54 6.164 8.762 9.880 1.00 1.38 O ATOM 0 H SER A 54 5.293 7.105 6.502 1.00 0.45 H new ATOM 0 HA SER A 54 7.546 8.457 7.627 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.108 8.927 8.119 1.00 0.69 H new ATOM 0 HB3 SER A 54 4.999 7.367 8.911 1.00 0.69 H new ATOM 0 HG SER A 54 5.408 9.087 10.413 1.00 1.38 H new ATOM 805 N ARG A 55 7.201 5.277 8.273 1.00 0.53 N ATOM 806 CA ARG A 55 7.892 4.165 8.910 1.00 0.62 C ATOM 807 C ARG A 55 9.196 3.815 8.205 1.00 0.57 C ATOM 808 O ARG A 55 10.239 3.699 8.842 1.00 0.68 O ATOM 809 CB ARG A 55 6.991 2.916 9.049 1.00 0.78 C ATOM 810 CG ARG A 55 7.725 1.696 9.614 1.00 0.95 C ATOM 811 CD ARG A 55 6.811 0.491 9.796 1.00 1.19 C ATOM 812 NE ARG A 55 7.582 -0.720 10.120 1.00 1.42 N ATOM 813 CZ ARG A 55 7.079 -1.867 10.607 1.00 1.79 C ATOM 814 NH1 ARG A 55 5.825 -1.939 11.057 1.00 1.97 N ATOM 815 NH2 ARG A 55 7.854 -2.943 10.690 1.00 2.41 N ATOM 0 H ARG A 55 6.418 5.015 7.674 1.00 0.53 H new ATOM 0 HA ARG A 55 8.141 4.505 9.915 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.148 3.156 9.697 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.580 2.663 8.072 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.543 1.428 8.946 1.00 0.95 H new ATOM 0 HG3 ARG A 55 8.170 1.957 10.574 1.00 0.95 H new ATOM 0 HD2 ARG A 55 6.094 0.692 10.592 1.00 1.19 H new ATOM 0 HD3 ARG A 55 6.237 0.326 8.884 1.00 1.19 H new ATOM 0 HE ARG A 55 8.589 -0.686 9.961 1.00 1.42 H new ATOM 0 HH11 ARG A 55 5.227 -1.113 11.036 1.00 1.97 H new ATOM 0 HH12 ARG A 55 5.464 -2.820 11.422 1.00 1.97 H new ATOM 0 HH21 ARG A 55 8.826 -2.896 10.385 1.00 2.41 H new ATOM 0 HH22 ARG A 55 7.477 -3.816 11.059 1.00 2.41 H new ATOM 829 N TYR A 56 9.153 3.680 6.897 1.00 0.49 N ATOM 830 CA TYR A 56 10.326 3.214 6.174 1.00 0.54 C ATOM 831 C TYR A 56 11.235 4.349 5.727 1.00 0.53 C ATOM 832 O TYR A 56 12.392 4.108 5.359 1.00 0.71 O ATOM 833 CB TYR A 56 9.935 2.304 5.002 1.00 0.57 C ATOM 834 CG TYR A 56 9.203 1.051 5.446 1.00 0.68 C ATOM 835 CD1 TYR A 56 9.887 -0.018 6.000 1.00 0.94 C ATOM 836 CD2 TYR A 56 7.827 0.936 5.290 1.00 0.66 C ATOM 837 CE1 TYR A 56 9.223 -1.165 6.385 1.00 1.09 C ATOM 838 CE2 TYR A 56 7.156 -0.208 5.680 1.00 0.82 C ATOM 839 CZ TYR A 56 7.862 -1.233 6.295 1.00 1.02 C ATOM 840 OH TYR A 56 7.208 -2.409 6.605 1.00 1.20 O ATOM 0 H TYR A 56 8.338 3.881 6.318 1.00 0.49 H new ATOM 0 HA TYR A 56 10.908 2.619 6.878 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.304 2.862 4.310 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.833 2.019 4.454 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.957 0.047 6.133 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.272 1.755 4.856 1.00 0.66 H new ATOM 0 HE1 TYR A 56 9.781 -2.011 6.758 1.00 1.09 H new ATOM 0 HE2 TYR A 56 6.094 -0.303 5.508 1.00 0.82 H new ATOM 0 HH TYR A 56 6.243 -2.287 6.489 1.00 1.20 H new ATOM 850 N GLY A 57 10.731 5.566 5.767 1.00 0.44 N ATOM 851 CA GLY A 57 11.527 6.715 5.381 1.00 0.45 C ATOM 852 C GLY A 57 11.511 6.919 3.885 1.00 0.45 C ATOM 853 O GLY A 57 12.559 6.915 3.231 1.00 0.60 O ATOM 0 H GLY A 57 9.779 5.785 6.061 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.144 7.608 5.876 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.554 6.579 5.720 1.00 0.45 H new ATOM 857 N VAL A 58 10.323 7.058 3.341 1.00 0.37 N ATOM 858 CA VAL A 58 10.130 7.261 1.912 1.00 0.39 C ATOM 859 C VAL A 58 9.096 8.354 1.706 1.00 0.40 C ATOM 860 O VAL A 58 8.669 8.989 2.683 1.00 0.42 O ATOM 861 CB VAL A 58 9.674 5.953 1.151 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.671 4.832 1.336 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.293 5.487 1.602 1.00 0.38 C ATOM 0 H VAL A 58 9.455 7.034 3.876 1.00 0.37 H new ATOM 0 HA VAL A 58 11.095 7.546 1.492 1.00 0.39 H new ATOM 0 HB VAL A 58 9.624 6.211 0.093 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.327 3.947 0.800 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.641 5.139 0.945 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.765 4.600 2.397 1.00 0.49 H new ATOM 0 HG21 VAL A 58 8.017 4.586 1.055 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.313 5.272 2.670 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.562 6.270 1.403 1.00 0.38 H new ATOM 873 N SER A 59 8.687 8.572 0.476 1.00 0.46 N ATOM 874 CA SER A 59 7.639 9.490 0.187 1.00 0.56 C ATOM 875 C SER A 59 6.966 9.096 -1.124 1.00 0.54 C ATOM 876 O SER A 59 7.634 8.606 -2.043 1.00 0.61 O ATOM 877 CB SER A 59 8.147 10.940 0.137 1.00 0.79 C ATOM 878 OG SER A 59 7.053 11.867 0.067 1.00 1.33 O ATOM 0 H SER A 59 9.080 8.111 -0.344 1.00 0.46 H new ATOM 0 HA SER A 59 6.907 9.443 0.993 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.749 11.149 1.021 1.00 0.79 H new ATOM 0 HB3 SER A 59 8.796 11.072 -0.729 1.00 0.79 H new ATOM 0 HG SER A 59 6.250 11.455 0.450 1.00 1.33 H new ATOM 884 N ILE A 60 5.659 9.248 -1.169 1.00 0.48 N ATOM 885 CA ILE A 60 4.857 8.973 -2.338 1.00 0.46 C ATOM 886 C ILE A 60 3.860 10.104 -2.504 1.00 0.50 C ATOM 887 O ILE A 60 3.177 10.467 -1.528 1.00 0.58 O ATOM 888 CB ILE A 60 4.037 7.643 -2.200 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.943 6.438 -1.934 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.184 7.394 -3.454 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.177 5.145 -1.743 1.00 1.13 C ATOM 0 H ILE A 60 5.113 9.575 -0.372 1.00 0.48 H new ATOM 0 HA ILE A 60 5.532 8.878 -3.189 1.00 0.46 H new ATOM 0 HB ILE A 60 3.378 7.762 -1.340 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.636 6.322 -2.767 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.543 6.632 -1.045 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.624 6.466 -3.335 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.489 8.222 -3.591 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.833 7.317 -4.326 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.878 4.331 -1.558 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.503 5.244 -0.892 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.598 4.929 -2.641 1.00 1.13 H new ATOM 903 N PRO A 61 3.787 10.718 -3.698 1.00 0.52 N ATOM 904 CA PRO A 61 2.756 11.713 -4.005 1.00 0.58 C ATOM 905 C PRO A 61 1.375 11.090 -3.781 1.00 0.52 C ATOM 906 O PRO A 61 1.106 9.978 -4.267 1.00 0.45 O ATOM 907 CB PRO A 61 2.979 12.001 -5.491 1.00 0.63 C ATOM 908 CG PRO A 61 4.410 11.681 -5.716 1.00 0.65 C ATOM 909 CD PRO A 61 4.711 10.514 -4.830 1.00 0.56 C ATOM 0 HA PRO A 61 2.808 12.611 -3.389 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.331 11.387 -6.117 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.762 13.042 -5.731 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.596 11.436 -6.762 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.044 12.533 -5.470 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.529 9.565 -5.335 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.752 10.509 -4.507 1.00 0.56 H new ATOM 917 N ASP A 62 0.508 11.793 -3.069 1.00 0.64 N ATOM 918 CA ASP A 62 -0.783 11.235 -2.651 1.00 0.72 C ATOM 919 C ASP A 62 -1.678 10.850 -3.823 1.00 0.61 C ATOM 920 O ASP A 62 -2.439 9.890 -3.729 1.00 0.65 O ATOM 921 CB ASP A 62 -1.537 12.138 -1.644 1.00 1.00 C ATOM 922 CG ASP A 62 -2.018 13.466 -2.201 1.00 1.28 C ATOM 923 OD1 ASP A 62 -3.136 13.537 -2.711 1.00 1.97 O ATOM 924 OD2 ASP A 62 -1.289 14.475 -2.101 1.00 1.40 O ATOM 0 H ASP A 62 0.669 12.753 -2.765 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.531 10.313 -2.127 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.398 11.589 -1.262 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -0.882 12.334 -0.795 1.00 1.00 H new ATOM 929 N ASP A 63 -1.549 11.544 -4.942 1.00 0.57 N ATOM 930 CA ASP A 63 -2.353 11.213 -6.115 1.00 0.62 C ATOM 931 C ASP A 63 -1.866 9.913 -6.745 1.00 0.52 C ATOM 932 O ASP A 63 -2.653 9.159 -7.300 1.00 0.65 O ATOM 933 CB ASP A 63 -2.365 12.339 -7.171 1.00 0.78 C ATOM 934 CG ASP A 63 -1.091 12.459 -7.998 1.00 1.29 C ATOM 935 OD1 ASP A 63 -0.946 11.745 -8.998 1.00 1.87 O ATOM 936 OD2 ASP A 63 -0.233 13.312 -7.666 1.00 1.94 O ATOM 0 H ASP A 63 -0.908 12.328 -5.066 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.378 11.090 -5.766 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -3.205 12.174 -7.846 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -2.543 13.288 -6.666 1.00 0.78 H new ATOM 941 N VAL A 64 -0.579 9.615 -6.583 1.00 0.42 N ATOM 942 CA VAL A 64 0.011 8.414 -7.169 1.00 0.39 C ATOM 943 C VAL A 64 -0.448 7.173 -6.400 1.00 0.33 C ATOM 944 O VAL A 64 -0.486 6.062 -6.936 1.00 0.37 O ATOM 945 CB VAL A 64 1.574 8.497 -7.254 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.178 7.241 -7.874 1.00 0.55 C ATOM 947 CG2 VAL A 64 1.984 9.715 -8.062 1.00 0.56 C ATOM 0 H VAL A 64 0.075 10.189 -6.051 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.344 8.336 -8.197 1.00 0.39 H new ATOM 0 HB VAL A 64 1.955 8.582 -6.236 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.263 7.340 -7.914 1.00 0.55 H new ATOM 0 HG12 VAL A 64 1.915 6.374 -7.268 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.788 7.110 -8.883 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.071 9.766 -8.117 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.573 9.639 -9.069 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.602 10.616 -7.581 1.00 0.56 H new ATOM 957 N ALA A 65 -0.895 7.392 -5.178 1.00 0.35 N ATOM 958 CA ALA A 65 -1.446 6.337 -4.367 1.00 0.38 C ATOM 959 C ALA A 65 -2.780 5.914 -4.940 1.00 0.43 C ATOM 960 O ALA A 65 -3.146 4.757 -4.902 1.00 0.47 O ATOM 961 CB ALA A 65 -1.621 6.817 -2.949 1.00 0.44 C ATOM 0 H ALA A 65 -0.884 8.306 -4.725 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.766 5.485 -4.366 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.038 6.014 -2.342 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.654 7.114 -2.543 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.298 7.671 -2.935 1.00 0.44 H new ATOM 967 N GLY A 66 -3.484 6.868 -5.515 1.00 0.49 N ATOM 968 CA GLY A 66 -4.761 6.588 -6.125 1.00 0.59 C ATOM 969 C GLY A 66 -4.604 6.143 -7.566 1.00 0.53 C ATOM 970 O GLY A 66 -5.578 5.792 -8.223 1.00 0.69 O ATOM 0 H GLY A 66 -3.190 7.843 -5.571 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.274 5.812 -5.557 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.388 7.479 -6.085 1.00 0.59 H new ATOM 974 N ARG A 67 -3.372 6.150 -8.057 1.00 0.45 N ATOM 975 CA ARG A 67 -3.091 5.735 -9.416 1.00 0.45 C ATOM 976 C ARG A 67 -2.782 4.251 -9.487 1.00 0.39 C ATOM 977 O ARG A 67 -2.789 3.654 -10.579 1.00 0.51 O ATOM 978 CB ARG A 67 -1.944 6.544 -10.034 1.00 0.56 C ATOM 979 CG ARG A 67 -2.267 8.014 -10.273 1.00 1.08 C ATOM 980 CD ARG A 67 -1.123 8.742 -10.966 1.00 1.48 C ATOM 981 NE ARG A 67 -0.824 8.187 -12.308 1.00 2.15 N ATOM 982 CZ ARG A 67 0.118 8.654 -13.152 1.00 2.93 C ATOM 983 NH1 ARG A 67 0.862 9.714 -12.832 1.00 3.24 N ATOM 984 NH2 ARG A 67 0.284 8.081 -14.338 1.00 3.83 N ATOM 0 H ARG A 67 -2.550 6.441 -7.527 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.992 5.930 -9.997 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.075 6.477 -9.379 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.664 6.087 -10.983 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -3.169 8.093 -10.880 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -2.481 8.498 -9.320 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -1.374 9.798 -11.061 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -0.229 8.682 -10.345 1.00 1.48 H new ATOM 0 HE ARG A 67 -1.376 7.387 -12.618 1.00 2.15 H new ATOM 0 HH11 ARG A 67 0.722 10.184 -11.937 1.00 3.24 H new ATOM 0 HH12 ARG A 67 1.571 10.055 -13.482 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -0.300 7.290 -14.608 1.00 3.83 H new ATOM 0 HH22 ARG A 67 0.996 8.432 -14.979 1.00 3.83 H new ATOM 998 N VAL A 68 -2.509 3.646 -8.346 1.00 0.35 N ATOM 999 CA VAL A 68 -2.212 2.232 -8.329 1.00 0.34 C ATOM 1000 C VAL A 68 -3.491 1.407 -8.367 1.00 0.39 C ATOM 1001 O VAL A 68 -4.561 1.872 -7.935 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.266 1.789 -7.173 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.064 2.504 -7.288 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.871 2.029 -5.804 1.00 0.36 C ATOM 0 H VAL A 68 -2.487 4.105 -7.435 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.646 2.035 -9.239 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.116 0.714 -7.273 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.718 2.188 -6.476 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.527 2.259 -8.244 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.095 3.581 -7.228 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.171 1.703 -5.035 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.078 3.092 -5.679 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.799 1.465 -5.712 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.395 0.214 -8.880 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.565 -0.635 -9.051 1.00 0.49 C ATOM 1016 C ASP A 69 -4.439 -1.829 -8.166 1.00 0.40 C ATOM 1017 O ASP A 69 -5.383 -2.222 -7.453 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.621 -1.124 -10.488 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.923 -1.773 -10.841 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.863 -1.048 -11.213 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -6.021 -3.005 -10.793 1.00 0.86 O ATOM 0 H ASP A 69 -2.519 -0.205 -9.192 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.462 -0.067 -8.803 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.449 -0.282 -11.158 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.811 -1.835 -10.655 1.00 0.68 H new ATOM 1026 N THR A 70 -3.267 -2.401 -8.214 1.00 0.38 N ATOM 1027 CA THR A 70 -2.949 -3.577 -7.481 1.00 0.35 C ATOM 1028 C THR A 70 -1.847 -3.258 -6.450 1.00 0.33 C ATOM 1029 O THR A 70 -0.997 -2.380 -6.691 1.00 0.33 O ATOM 1030 CB THR A 70 -2.502 -4.702 -8.456 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.352 -4.276 -9.217 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.628 -5.028 -9.430 1.00 0.47 C ATOM 0 H THR A 70 -2.495 -2.048 -8.779 1.00 0.38 H new ATOM 0 HA THR A 70 -3.830 -3.928 -6.944 1.00 0.35 H new ATOM 0 HB THR A 70 -2.251 -5.583 -7.866 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.505 -3.372 -9.563 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.305 -5.817 -10.109 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.504 -5.363 -8.875 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.882 -4.137 -10.004 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.862 -3.938 -5.287 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.894 -3.733 -4.202 1.00 0.33 C ATOM 1042 C PRO A 71 0.570 -3.804 -4.640 1.00 0.29 C ATOM 1043 O PRO A 71 1.413 -3.123 -4.055 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.215 -4.862 -3.230 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.656 -5.099 -3.437 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.864 -4.950 -4.910 1.00 0.39 C ATOM 0 HA PRO A 71 -0.988 -2.731 -3.783 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.627 -5.755 -3.444 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.999 -4.578 -2.200 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.946 -6.093 -3.096 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.258 -4.382 -2.879 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.705 -5.891 -5.437 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.877 -4.621 -5.143 1.00 0.39 H new ATOM 1054 N ARG A 72 0.874 -4.584 -5.690 1.00 0.31 N ATOM 1055 CA ARG A 72 2.264 -4.709 -6.145 1.00 0.31 C ATOM 1056 C ARG A 72 2.817 -3.374 -6.642 1.00 0.29 C ATOM 1057 O ARG A 72 4.001 -3.106 -6.513 1.00 0.31 O ATOM 1058 CB ARG A 72 2.463 -5.797 -7.220 1.00 0.36 C ATOM 1059 CG ARG A 72 1.769 -5.553 -8.559 1.00 0.48 C ATOM 1060 CD ARG A 72 2.328 -6.479 -9.646 1.00 0.58 C ATOM 1061 NE ARG A 72 2.045 -7.903 -9.406 1.00 1.01 N ATOM 1062 CZ ARG A 72 2.918 -8.828 -8.978 1.00 1.40 C ATOM 1063 NH1 ARG A 72 4.171 -8.499 -8.661 1.00 1.35 N ATOM 1064 NH2 ARG A 72 2.530 -10.083 -8.875 1.00 2.47 N ATOM 0 H ARG A 72 0.195 -5.124 -6.226 1.00 0.31 H new ATOM 0 HA ARG A 72 2.827 -5.022 -5.266 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.532 -5.908 -7.403 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.109 -6.746 -6.818 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.697 -5.718 -8.452 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.903 -4.513 -8.858 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.908 -6.190 -10.609 1.00 0.58 H new ATOM 0 HD3 ARG A 72 3.407 -6.337 -9.714 1.00 0.58 H new ATOM 0 HE ARG A 72 1.091 -8.218 -9.582 1.00 1.01 H new ATOM 0 HH11 ARG A 72 4.480 -7.530 -8.742 1.00 1.35 H new ATOM 0 HH12 ARG A 72 4.820 -9.216 -8.337 1.00 1.35 H new ATOM 0 HH21 ARG A 72 1.575 -10.343 -9.120 1.00 2.47 H new ATOM 0 HH22 ARG A 72 3.185 -10.794 -8.551 1.00 2.47 H new ATOM 1078 N GLU A 73 1.943 -2.529 -7.160 1.00 0.28 N ATOM 1079 CA GLU A 73 2.341 -1.240 -7.690 1.00 0.28 C ATOM 1080 C GLU A 73 2.648 -0.280 -6.552 1.00 0.25 C ATOM 1081 O GLU A 73 3.588 0.502 -6.624 1.00 0.25 O ATOM 1082 CB GLU A 73 1.234 -0.690 -8.563 1.00 0.33 C ATOM 1083 CG GLU A 73 0.879 -1.589 -9.717 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.348 -1.125 -10.421 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -1.447 -1.468 -9.967 1.00 2.06 O ATOM 1086 OE2 GLU A 73 -0.244 -0.388 -11.432 1.00 1.24 O ATOM 0 H GLU A 73 0.943 -2.717 -7.224 1.00 0.28 H new ATOM 0 HA GLU A 73 3.242 -1.358 -8.292 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.346 -0.528 -7.952 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.536 0.283 -8.950 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.711 -1.623 -10.420 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.727 -2.605 -9.353 1.00 0.45 H new ATOM 1093 N LEU A 74 1.859 -0.380 -5.489 1.00 0.27 N ATOM 1094 CA LEU A 74 2.044 0.441 -4.289 1.00 0.27 C ATOM 1095 C LEU A 74 3.369 0.039 -3.653 1.00 0.25 C ATOM 1096 O LEU A 74 4.189 0.873 -3.266 1.00 0.25 O ATOM 1097 CB LEU A 74 0.894 0.149 -3.303 1.00 0.30 C ATOM 1098 CG LEU A 74 0.667 1.137 -2.114 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.745 1.029 -1.049 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.577 2.574 -2.623 1.00 1.00 C ATOM 0 H LEU A 74 1.074 -1.029 -5.430 1.00 0.27 H new ATOM 0 HA LEU A 74 2.046 1.502 -4.538 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.032 0.102 -3.877 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.060 -0.843 -2.883 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.277 0.855 -1.648 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.537 1.738 -0.247 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.757 0.017 -0.644 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.716 1.255 -1.490 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.419 3.249 -1.782 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.504 2.839 -3.131 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.256 2.662 -3.320 1.00 1.00 H new ATOM 1112 N LEU A 75 3.552 -1.254 -3.581 1.00 0.29 N ATOM 1113 CA LEU A 75 4.719 -1.879 -3.032 1.00 0.34 C ATOM 1114 C LEU A 75 5.972 -1.438 -3.815 1.00 0.29 C ATOM 1115 O LEU A 75 7.040 -1.172 -3.237 1.00 0.30 O ATOM 1116 CB LEU A 75 4.514 -3.374 -3.170 1.00 0.49 C ATOM 1117 CG LEU A 75 5.573 -4.249 -2.601 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.568 -4.170 -1.095 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.399 -5.662 -3.091 1.00 0.90 C ATOM 0 H LEU A 75 2.861 -1.924 -3.918 1.00 0.29 H new ATOM 0 HA LEU A 75 4.864 -1.598 -1.989 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.568 -3.633 -2.695 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.413 -3.607 -4.230 1.00 0.49 H new ATOM 0 HG LEU A 75 6.548 -3.900 -2.942 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.349 -4.816 -0.694 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.753 -3.142 -0.784 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.599 -4.495 -0.717 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.180 -6.293 -2.667 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.423 -6.037 -2.782 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.467 -5.681 -4.179 1.00 0.90 H new ATOM 1131 N ASP A 76 5.801 -1.331 -5.123 1.00 0.29 N ATOM 1132 CA ASP A 76 6.845 -0.903 -6.048 1.00 0.33 C ATOM 1133 C ASP A 76 7.233 0.537 -5.782 1.00 0.29 C ATOM 1134 O ASP A 76 8.404 0.900 -5.867 1.00 0.33 O ATOM 1135 CB ASP A 76 6.361 -1.061 -7.499 1.00 0.40 C ATOM 1136 CG ASP A 76 7.303 -0.464 -8.526 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.237 -1.151 -8.970 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.106 0.699 -8.925 1.00 0.63 O ATOM 0 H ASP A 76 4.916 -1.543 -5.583 1.00 0.29 H new ATOM 0 HA ASP A 76 7.723 -1.531 -5.896 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.228 -2.121 -7.715 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.383 -0.590 -7.599 1.00 0.40 H new ATOM 1143 N LEU A 77 6.247 1.342 -5.440 1.00 0.25 N ATOM 1144 CA LEU A 77 6.460 2.744 -5.121 1.00 0.25 C ATOM 1145 C LEU A 77 7.339 2.878 -3.885 1.00 0.26 C ATOM 1146 O LEU A 77 8.315 3.641 -3.883 1.00 0.32 O ATOM 1147 CB LEU A 77 5.125 3.436 -4.883 1.00 0.26 C ATOM 1148 CG LEU A 77 4.160 3.465 -6.059 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.841 4.099 -5.649 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.766 4.201 -7.244 1.00 0.38 C ATOM 0 H LEU A 77 5.274 1.044 -5.375 1.00 0.25 H new ATOM 0 HA LEU A 77 6.962 3.219 -5.964 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.629 2.944 -4.046 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.322 4.463 -4.577 1.00 0.26 H new ATOM 0 HG LEU A 77 3.968 2.437 -6.366 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.163 4.112 -6.502 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.395 3.521 -4.840 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.018 5.120 -5.311 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.056 4.207 -8.071 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.996 5.227 -6.956 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.681 3.697 -7.556 1.00 0.38 H new ATOM 1162 N ILE A 78 7.002 2.109 -2.859 1.00 0.25 N ATOM 1163 CA ILE A 78 7.751 2.099 -1.611 1.00 0.29 C ATOM 1164 C ILE A 78 9.185 1.682 -1.869 1.00 0.34 C ATOM 1165 O ILE A 78 10.115 2.469 -1.667 1.00 0.40 O ATOM 1166 CB ILE A 78 7.131 1.119 -0.576 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.702 1.540 -0.220 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.004 1.047 0.690 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.609 2.900 0.440 1.00 0.46 C ATOM 0 H ILE A 78 6.203 1.475 -2.869 1.00 0.25 H new ATOM 0 HA ILE A 78 7.714 3.110 -1.204 1.00 0.29 H new ATOM 0 HB ILE A 78 7.093 0.127 -1.025 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.099 1.546 -1.128 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.269 0.794 0.446 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.554 0.356 1.403 1.00 0.43 H new ATOM 0 HG22 ILE A 78 9.001 0.696 0.425 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.075 2.037 1.140 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.566 3.127 0.661 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.184 2.895 1.366 1.00 0.46 H new ATOM 0 HD13 ILE A 78 6.010 3.659 -0.232 1.00 0.46 H new ATOM 1181 N ASN A 79 9.361 0.450 -2.333 1.00 0.37 N ATOM 1182 CA ASN A 79 10.696 -0.109 -2.549 1.00 0.46 C ATOM 1183 C ASN A 79 11.488 0.677 -3.574 1.00 0.40 C ATOM 1184 O ASN A 79 12.704 0.737 -3.498 1.00 0.45 O ATOM 1185 CB ASN A 79 10.658 -1.606 -2.898 1.00 0.62 C ATOM 1186 CG ASN A 79 10.130 -2.466 -1.752 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.237 -2.100 -0.581 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.630 -3.633 -2.067 1.00 0.56 N ATOM 0 H ASN A 79 8.597 -0.184 -2.568 1.00 0.37 H new ATOM 0 HA ASN A 79 11.218 -0.017 -1.597 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.030 -1.754 -3.777 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.662 -1.938 -3.164 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.316 -4.268 -1.333 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.554 -3.908 -3.046 1.00 0.56 H new ATOM 1195 N GLY A 80 10.789 1.309 -4.505 1.00 0.38 N ATOM 1196 CA GLY A 80 11.439 2.149 -5.485 1.00 0.41 C ATOM 1197 C GLY A 80 12.116 3.336 -4.824 1.00 0.45 C ATOM 1198 O GLY A 80 13.309 3.566 -5.028 1.00 0.55 O ATOM 0 H GLY A 80 9.775 1.253 -4.598 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.177 1.566 -6.036 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.705 2.502 -6.210 1.00 0.41 H new ATOM 1202 N ALA A 81 11.366 4.045 -3.985 1.00 0.44 N ATOM 1203 CA ALA A 81 11.884 5.209 -3.280 1.00 0.51 C ATOM 1204 C ALA A 81 12.916 4.788 -2.228 1.00 0.54 C ATOM 1205 O ALA A 81 13.891 5.510 -1.957 1.00 0.69 O ATOM 1206 CB ALA A 81 10.749 5.989 -2.633 1.00 0.52 C ATOM 0 H ALA A 81 10.391 3.830 -3.777 1.00 0.44 H new ATOM 0 HA ALA A 81 12.378 5.857 -4.004 1.00 0.51 H new ATOM 0 HB1 ALA A 81 11.154 6.855 -2.111 1.00 0.52 H new ATOM 0 HB2 ALA A 81 10.052 6.322 -3.402 1.00 0.52 H new ATOM 0 HB3 ALA A 81 10.226 5.349 -1.922 1.00 0.52 H new ATOM 1212 N LEU A 82 12.704 3.616 -1.657 1.00 0.44 N ATOM 1213 CA LEU A 82 13.587 3.043 -0.679 1.00 0.50 C ATOM 1214 C LEU A 82 14.940 2.734 -1.320 1.00 0.60 C ATOM 1215 O LEU A 82 15.988 3.040 -0.759 1.00 0.70 O ATOM 1216 CB LEU A 82 12.946 1.773 -0.114 1.00 0.48 C ATOM 1217 CG LEU A 82 13.767 1.001 0.899 1.00 0.58 C ATOM 1218 CD1 LEU A 82 14.003 1.827 2.157 1.00 0.60 C ATOM 1219 CD2 LEU A 82 13.112 -0.330 1.231 1.00 0.66 C ATOM 0 H LEU A 82 11.896 3.031 -1.870 1.00 0.44 H new ATOM 0 HA LEU A 82 13.752 3.748 0.135 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.998 2.045 0.350 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.714 1.107 -0.946 1.00 0.48 H new ATOM 0 HG LEU A 82 14.739 0.792 0.452 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.595 1.248 2.866 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.539 2.740 1.898 1.00 0.60 H new ATOM 0 HD13 LEU A 82 13.045 2.084 2.608 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.722 -0.864 1.960 1.00 0.66 H new ATOM 0 HD22 LEU A 82 12.120 -0.154 1.647 1.00 0.66 H new ATOM 0 HD23 LEU A 82 13.024 -0.928 0.324 1.00 0.66 H new ATOM 1231 N ALA A 83 14.904 2.187 -2.524 1.00 0.64 N ATOM 1232 CA ALA A 83 16.113 1.858 -3.256 1.00 0.79 C ATOM 1233 C ALA A 83 16.864 3.125 -3.696 1.00 0.95 C ATOM 1234 O ALA A 83 18.047 3.067 -4.031 1.00 1.13 O ATOM 1235 CB ALA A 83 15.803 0.965 -4.452 1.00 0.86 C ATOM 0 H ALA A 83 14.041 1.960 -3.018 1.00 0.64 H new ATOM 0 HA ALA A 83 16.766 1.304 -2.581 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.727 0.734 -4.983 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.342 0.040 -4.106 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.118 1.482 -5.124 1.00 0.86 H new ATOM 1241 N GLU A 84 16.168 4.265 -3.718 1.00 0.95 N ATOM 1242 CA GLU A 84 16.782 5.533 -4.020 1.00 1.17 C ATOM 1243 C GLU A 84 17.529 6.058 -2.790 1.00 1.25 C ATOM 1244 O GLU A 84 18.499 6.796 -2.908 1.00 1.52 O ATOM 1245 CB GLU A 84 15.738 6.536 -4.497 1.00 1.23 C ATOM 1246 CG GLU A 84 15.098 6.172 -5.827 1.00 1.40 C ATOM 1247 CD GLU A 84 14.122 7.200 -6.331 1.00 1.80 C ATOM 1248 OE1 GLU A 84 14.558 8.163 -6.989 1.00 2.17 O ATOM 1249 OE2 GLU A 84 12.906 7.058 -6.102 1.00 2.47 O ATOM 0 H GLU A 84 15.168 4.321 -3.526 1.00 0.95 H new ATOM 0 HA GLU A 84 17.501 5.394 -4.827 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.958 6.621 -3.741 1.00 1.23 H new ATOM 0 HB3 GLU A 84 16.205 7.517 -4.586 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.882 6.033 -6.571 1.00 1.40 H new ATOM 0 HG3 GLU A 84 14.584 5.216 -5.723 1.00 1.40 H new ATOM 1256 N ALA A 85 17.065 5.670 -1.612 1.00 1.13 N ATOM 1257 CA ALA A 85 17.741 6.027 -0.370 1.00 1.31 C ATOM 1258 C ALA A 85 18.911 5.072 -0.156 1.00 1.69 C ATOM 1259 O ALA A 85 19.922 5.424 0.477 1.00 2.07 O ATOM 1260 CB ALA A 85 16.775 5.967 0.805 1.00 1.28 C ATOM 0 H ALA A 85 16.223 5.108 -1.488 1.00 1.13 H new ATOM 0 HA ALA A 85 18.113 7.049 -0.438 1.00 1.31 H new ATOM 0 HB1 ALA A 85 17.300 6.237 1.722 1.00 1.28 H new ATOM 0 HB2 ALA A 85 15.955 6.665 0.638 1.00 1.28 H new ATOM 0 HB3 ALA A 85 16.378 4.956 0.898 1.00 1.28 H new ATOM 1266 N ALA A 86 18.729 3.855 -0.678 1.00 1.91 N ATOM 1267 CA ALA A 86 19.724 2.797 -0.714 1.00 2.53 C ATOM 1268 C ALA A 86 20.123 2.356 0.672 1.00 2.95 C ATOM 1269 O ALA A 86 21.268 2.597 1.077 1.00 3.39 O ATOM 1270 CB ALA A 86 20.948 3.219 -1.531 1.00 3.21 C ATOM 1271 OXT ALA A 86 19.279 1.775 1.389 1.00 3.44 O ATOM 0 H ALA A 86 17.845 3.576 -1.103 1.00 1.91 H new ATOM 0 HA ALA A 86 19.267 1.940 -1.208 1.00 2.53 H new ATOM 0 HB1 ALA A 86 21.676 2.408 -1.541 1.00 3.21 H new ATOM 0 HB2 ALA A 86 20.643 3.445 -2.553 1.00 3.21 H new ATOM 0 HB3 ALA A 86 21.397 4.105 -1.082 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -10.763 8.221 -4.325 1.00 1.71 P HETATM 1279 O26 SDO A 101 -12.245 8.257 -3.804 1.00 2.14 O HETATM 1280 O23 SDO A 101 -10.502 7.503 -5.674 1.00 2.28 O HETATM 1281 O27 SDO A 101 -10.276 9.689 -4.469 1.00 1.72 O HETATM 1282 C28 SDO A 101 -10.278 10.535 -3.260 1.00 1.71 C HETATM 1283 C29 SDO A 101 -9.601 11.899 -3.518 1.00 1.77 C HETATM 1284 C30 SDO A 101 -9.610 12.672 -2.204 1.00 1.95 C HETATM 1285 C31 SDO A 101 -8.151 11.663 -3.955 1.00 1.99 C HETATM 1286 C32 SDO A 101 -10.335 12.731 -4.659 1.00 2.08 C HETATM 1287 O33 SDO A 101 -9.601 13.922 -4.995 1.00 2.35 O HETATM 1288 C34 SDO A 101 -11.789 13.126 -4.311 1.00 2.45 C HETATM 1289 O35 SDO A 101 -12.512 12.464 -3.554 1.00 3.01 O HETATM 1290 N36 SDO A 101 -12.202 14.230 -4.882 1.00 2.76 N HETATM 1291 C37 SDO A 101 -13.544 14.804 -4.712 1.00 3.46 C HETATM 1292 C38 SDO A 101 -13.512 16.228 -4.148 1.00 3.69 C HETATM 1293 C39 SDO A 101 -13.139 16.312 -2.659 1.00 3.12 C HETATM 1294 O40 SDO A 101 -12.910 17.408 -2.116 1.00 3.47 O HETATM 1295 N41 SDO A 101 -13.063 15.146 -2.023 1.00 2.75 N HETATM 1296 C42 SDO A 101 -12.716 14.972 -0.624 1.00 2.56 C HETATM 1297 C43 SDO A 101 -13.012 13.562 -0.170 1.00 3.16 C HETATM 1298 S1 SDO A 101 -12.327 12.984 1.409 1.00 3.65 S HETATM 1299 C1 SDO A 101 -11.310 14.166 2.346 1.00 3.41 C HETATM 1300 C2 SDO A 101 -11.085 15.559 1.783 1.00 3.06 C HETATM 1301 C3 SDO A 101 -10.194 16.601 2.591 1.00 3.84 C HETATM 1302 O3 SDO A 101 -10.071 17.727 2.093 1.00 4.23 O HETATM 1303 C4 SDO A 101 -9.476 16.370 3.980 1.00 4.62 C HETATM 1304 C5 SDO A 101 -9.594 15.027 4.683 1.00 4.78 C HETATM 1305 C6 SDO A 101 -8.786 15.012 5.971 1.00 5.75 C HETATM 1306 C7 SDO A 101 -8.860 13.694 6.745 1.00 6.28 C HETATM 1307 O7 SDO A 101 -8.252 13.563 7.806 1.00 7.10 O HETATM 1308 C8 SDO A 101 -9.694 12.546 6.184 1.00 6.09 C