USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 hydrogens (21 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 57:sc= 1.18 USER MOD Set 1.2: A 48 THR OG1 : rot -61:sc= 0.137 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0761 (180deg=-0.495) 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 135:sc= 1.33 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 95:sc= 0.742 USER MOD Single : A 46 MET CE :methyl -131:sc= -3.29! (180deg=-6.03!) USER MOD Single : A 54 SER OG : rot -81:sc= 0.768 USER MOD Single : A 56 TYR OH : rot -127:sc= 1 USER MOD Single : A 59 SER OG : rot 32:sc= 1.29 USER MOD Single : A 70 THR OG1 : rot -43:sc= 0.624 USER MOD Single : A 79 ASN : amide:sc= -3.74 K(o=-3.7,f=-3.1!) USER MOD Single : A 87 PNS O33 : rot 110:sc= 0.0496 USER MOD Single : A 87 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.799 7.932 5.336 1.00 2.24 N ATOM 2 CA MET A 1 18.601 7.288 4.294 1.00 1.76 C ATOM 3 C MET A 1 17.773 7.174 3.020 1.00 1.40 C ATOM 4 O MET A 1 18.182 7.645 1.950 1.00 1.79 O ATOM 5 CB MET A 1 19.082 5.907 4.759 1.00 2.58 C ATOM 6 CG MET A 1 19.984 5.190 3.762 1.00 3.31 C ATOM 7 SD MET A 1 20.459 3.526 4.302 1.00 4.53 S ATOM 8 CE MET A 1 21.328 3.883 5.824 1.00 5.31 C ATOM 0 H1 MET A 1 18.361 8.012 6.207 1.00 2.24 H new ATOM 0 H2 MET A 1 17.516 8.881 5.019 1.00 2.24 H new ATOM 0 H3 MET A 1 16.950 7.361 5.523 1.00 2.24 H new ATOM 0 HA MET A 1 19.483 7.895 4.091 1.00 1.76 H new ATOM 0 HB2 MET A 1 19.619 6.020 5.701 1.00 2.58 H new ATOM 0 HB3 MET A 1 18.213 5.281 4.961 1.00 2.58 H new ATOM 0 HG2 MET A 1 19.472 5.122 2.802 1.00 3.31 H new ATOM 0 HG3 MET A 1 20.884 5.784 3.602 1.00 3.31 H new ATOM 0 HE1 MET A 1 21.929 3.020 6.111 1.00 5.31 H new ATOM 0 HE2 MET A 1 21.978 4.746 5.678 1.00 5.31 H new ATOM 0 HE3 MET A 1 20.607 4.101 6.612 1.00 5.31 H new ATOM 20 N ALA A 2 16.605 6.574 3.134 1.00 1.20 N ATOM 21 CA ALA A 2 15.698 6.431 2.020 1.00 1.09 C ATOM 22 C ALA A 2 14.418 7.159 2.358 1.00 0.88 C ATOM 23 O ALA A 2 14.142 7.409 3.541 1.00 1.05 O ATOM 24 CB ALA A 2 15.428 4.962 1.743 1.00 1.46 C ATOM 0 H ALA A 2 16.260 6.172 4.006 1.00 1.20 H new ATOM 0 HA ALA A 2 16.138 6.859 1.119 1.00 1.09 H new ATOM 0 HB1 ALA A 2 14.743 4.871 0.900 1.00 1.46 H new ATOM 0 HB2 ALA A 2 16.365 4.458 1.505 1.00 1.46 H new ATOM 0 HB3 ALA A 2 14.983 4.501 2.625 1.00 1.46 H new ATOM 30 N THR A 3 13.636 7.496 1.373 1.00 0.78 N ATOM 31 CA THR A 3 12.450 8.257 1.628 1.00 0.73 C ATOM 32 C THR A 3 11.263 7.316 1.881 1.00 0.60 C ATOM 33 O THR A 3 10.736 6.659 0.971 1.00 0.63 O ATOM 34 CB THR A 3 12.172 9.291 0.467 1.00 0.93 C ATOM 35 OG1 THR A 3 10.967 10.035 0.714 1.00 1.58 O ATOM 36 CG2 THR A 3 12.097 8.638 -0.909 1.00 1.70 C ATOM 0 H THR A 3 13.797 7.258 0.394 1.00 0.78 H new ATOM 0 HA THR A 3 12.596 8.848 2.532 1.00 0.73 H new ATOM 0 HB THR A 3 13.025 9.969 0.461 1.00 0.93 H new ATOM 0 HG1 THR A 3 10.818 10.669 -0.018 1.00 1.58 H new ATOM 0 HG21 THR A 3 11.904 9.401 -1.664 1.00 1.70 H new ATOM 0 HG22 THR A 3 13.042 8.142 -1.128 1.00 1.70 H new ATOM 0 HG23 THR A 3 11.291 7.904 -0.920 1.00 1.70 H new ATOM 44 N LEU A 4 10.863 7.226 3.124 1.00 0.58 N ATOM 45 CA LEU A 4 9.751 6.386 3.502 1.00 0.51 C ATOM 46 C LEU A 4 8.453 7.097 3.191 1.00 0.47 C ATOM 47 O LEU A 4 8.425 8.324 3.088 1.00 0.64 O ATOM 48 CB LEU A 4 9.822 6.029 4.982 1.00 0.62 C ATOM 49 CG LEU A 4 11.094 5.309 5.437 1.00 0.62 C ATOM 50 CD1 LEU A 4 11.022 5.006 6.911 1.00 1.02 C ATOM 51 CD2 LEU A 4 11.320 4.035 4.643 1.00 0.80 C ATOM 0 H LEU A 4 11.295 7.729 3.899 1.00 0.58 H new ATOM 0 HA LEU A 4 9.798 5.459 2.931 1.00 0.51 H new ATOM 0 HB2 LEU A 4 9.720 6.946 5.562 1.00 0.62 H new ATOM 0 HB3 LEU A 4 8.965 5.401 5.226 1.00 0.62 H new ATOM 0 HG LEU A 4 11.941 5.970 5.254 1.00 0.62 H new ATOM 0 HD11 LEU A 4 11.933 4.494 7.222 1.00 1.02 H new ATOM 0 HD12 LEU A 4 10.920 5.937 7.469 1.00 1.02 H new ATOM 0 HD13 LEU A 4 10.161 4.368 7.110 1.00 1.02 H new ATOM 0 HD21 LEU A 4 12.231 3.547 4.990 1.00 0.80 H new ATOM 0 HD22 LEU A 4 10.473 3.364 4.783 1.00 0.80 H new ATOM 0 HD23 LEU A 4 11.419 4.278 3.585 1.00 0.80 H new ATOM 63 N LEU A 5 7.403 6.345 3.001 1.00 0.43 N ATOM 64 CA LEU A 5 6.110 6.917 2.662 1.00 0.44 C ATOM 65 C LEU A 5 5.484 7.521 3.876 1.00 0.38 C ATOM 66 O LEU A 5 5.661 7.005 4.989 1.00 0.45 O ATOM 67 CB LEU A 5 5.155 5.841 2.152 1.00 0.67 C ATOM 68 CG LEU A 5 5.606 5.034 0.961 1.00 0.54 C ATOM 69 CD1 LEU A 5 4.545 4.021 0.584 1.00 1.05 C ATOM 70 CD2 LEU A 5 5.910 5.936 -0.200 1.00 1.37 C ATOM 0 H LEU A 5 7.409 5.328 3.074 1.00 0.43 H new ATOM 0 HA LEU A 5 6.278 7.669 1.891 1.00 0.44 H new ATOM 0 HB2 LEU A 5 4.953 5.151 2.972 1.00 0.67 H new ATOM 0 HB3 LEU A 5 4.209 6.320 1.898 1.00 0.67 H new ATOM 0 HG LEU A 5 6.518 4.499 1.227 1.00 0.54 H new ATOM 0 HD11 LEU A 5 4.882 3.444 -0.277 1.00 1.05 H new ATOM 0 HD12 LEU A 5 4.369 3.349 1.424 1.00 1.05 H new ATOM 0 HD13 LEU A 5 3.619 4.540 0.334 1.00 1.05 H new ATOM 0 HD21 LEU A 5 6.234 5.337 -1.051 1.00 1.37 H new ATOM 0 HD22 LEU A 5 5.015 6.496 -0.470 1.00 1.37 H new ATOM 0 HD23 LEU A 5 6.702 6.631 0.077 1.00 1.37 H new ATOM 82 N THR A 6 4.785 8.600 3.683 1.00 0.41 N ATOM 83 CA THR A 6 3.997 9.137 4.727 1.00 0.48 C ATOM 84 C THR A 6 2.648 8.421 4.728 1.00 0.39 C ATOM 85 O THR A 6 2.404 7.531 3.877 1.00 0.36 O ATOM 86 CB THR A 6 3.796 10.671 4.585 1.00 0.66 C ATOM 87 OG1 THR A 6 3.241 10.990 3.293 1.00 0.72 O ATOM 88 CG2 THR A 6 5.107 11.413 4.774 1.00 0.88 C ATOM 0 H THR A 6 4.751 9.119 2.806 1.00 0.41 H new ATOM 0 HA THR A 6 4.516 8.979 5.672 1.00 0.48 H new ATOM 0 HB THR A 6 3.101 10.988 5.363 1.00 0.66 H new ATOM 0 HG1 THR A 6 2.515 11.640 3.400 1.00 0.72 H new ATOM 0 HG21 THR A 6 4.937 12.485 4.669 1.00 0.88 H new ATOM 0 HG22 THR A 6 5.504 11.204 5.768 1.00 0.88 H new ATOM 0 HG23 THR A 6 5.823 11.084 4.021 1.00 0.88 H new ATOM 96 N THR A 7 1.770 8.817 5.597 1.00 0.44 N ATOM 97 CA THR A 7 0.466 8.241 5.660 1.00 0.44 C ATOM 98 C THR A 7 -0.311 8.675 4.414 1.00 0.40 C ATOM 99 O THR A 7 -0.906 7.851 3.704 1.00 0.39 O ATOM 100 CB THR A 7 -0.244 8.746 6.924 1.00 0.56 C ATOM 101 OG1 THR A 7 0.618 8.530 8.061 1.00 0.70 O ATOM 102 CG2 THR A 7 -1.544 7.995 7.136 1.00 0.66 C ATOM 0 H THR A 7 1.940 9.551 6.284 1.00 0.44 H new ATOM 0 HA THR A 7 0.526 7.153 5.697 1.00 0.44 H new ATOM 0 HB THR A 7 -0.465 9.807 6.810 1.00 0.56 H new ATOM 0 HG1 THR A 7 0.174 8.851 8.874 1.00 0.70 H new ATOM 0 HG21 THR A 7 -2.035 8.365 8.036 1.00 0.66 H new ATOM 0 HG22 THR A 7 -2.197 8.149 6.277 1.00 0.66 H new ATOM 0 HG23 THR A 7 -1.335 6.931 7.248 1.00 0.66 H new ATOM 110 N ASP A 8 -0.251 9.965 4.124 1.00 0.50 N ATOM 111 CA ASP A 8 -0.983 10.523 3.000 1.00 0.56 C ATOM 112 C ASP A 8 -0.418 10.039 1.663 1.00 0.49 C ATOM 113 O ASP A 8 -1.173 9.821 0.730 1.00 0.48 O ATOM 114 CB ASP A 8 -1.018 12.063 3.033 1.00 0.77 C ATOM 115 CG ASP A 8 0.241 12.728 2.521 1.00 1.44 C ATOM 116 OD1 ASP A 8 1.266 12.717 3.220 1.00 1.69 O ATOM 117 OD2 ASP A 8 0.224 13.278 1.399 1.00 2.29 O ATOM 0 H ASP A 8 0.297 10.644 4.652 1.00 0.50 H new ATOM 0 HA ASP A 8 -2.007 10.163 3.095 1.00 0.56 H new ATOM 0 HB2 ASP A 8 -1.864 12.408 2.438 1.00 0.77 H new ATOM 0 HB3 ASP A 8 -1.195 12.388 4.058 1.00 0.77 H new ATOM 122 N ASP A 9 0.901 9.817 1.588 1.00 0.49 N ATOM 123 CA ASP A 9 1.533 9.396 0.318 1.00 0.51 C ATOM 124 C ASP A 9 1.038 8.015 -0.068 1.00 0.43 C ATOM 125 O ASP A 9 0.631 7.777 -1.224 1.00 0.48 O ATOM 126 CB ASP A 9 3.063 9.385 0.416 1.00 0.60 C ATOM 127 CG ASP A 9 3.736 9.311 -0.952 1.00 1.12 C ATOM 128 OD1 ASP A 9 3.984 8.206 -1.474 1.00 1.35 O ATOM 129 OD2 ASP A 9 4.017 10.377 -1.531 1.00 1.83 O ATOM 0 H ASP A 9 1.546 9.918 2.372 1.00 0.49 H new ATOM 0 HA ASP A 9 1.253 10.121 -0.446 1.00 0.51 H new ATOM 0 HB2 ASP A 9 3.397 10.284 0.933 1.00 0.60 H new ATOM 0 HB3 ASP A 9 3.379 8.534 1.019 1.00 0.60 H new ATOM 134 N LEU A 10 1.018 7.119 0.921 1.00 0.36 N ATOM 135 CA LEU A 10 0.512 5.768 0.735 1.00 0.34 C ATOM 136 C LEU A 10 -0.957 5.824 0.350 1.00 0.32 C ATOM 137 O LEU A 10 -1.386 5.151 -0.584 1.00 0.37 O ATOM 138 CB LEU A 10 0.672 4.942 2.020 1.00 0.36 C ATOM 139 CG LEU A 10 0.129 3.505 1.964 1.00 0.43 C ATOM 140 CD1 LEU A 10 0.908 2.655 0.971 1.00 0.67 C ATOM 141 CD2 LEU A 10 0.129 2.873 3.340 1.00 0.75 C ATOM 0 H LEU A 10 1.351 7.313 1.865 1.00 0.36 H new ATOM 0 HA LEU A 10 1.086 5.290 -0.059 1.00 0.34 H new ATOM 0 HB2 LEU A 10 1.731 4.900 2.273 1.00 0.36 H new ATOM 0 HB3 LEU A 10 0.171 5.468 2.832 1.00 0.36 H new ATOM 0 HG LEU A 10 -0.903 3.554 1.615 1.00 0.43 H new ATOM 0 HD11 LEU A 10 0.498 1.645 0.956 1.00 0.67 H new ATOM 0 HD12 LEU A 10 0.829 3.093 -0.024 1.00 0.67 H new ATOM 0 HD13 LEU A 10 1.956 2.617 1.268 1.00 0.67 H new ATOM 0 HD21 LEU A 10 -0.260 1.857 3.274 1.00 0.75 H new ATOM 0 HD22 LEU A 10 1.147 2.848 3.729 1.00 0.75 H new ATOM 0 HD23 LEU A 10 -0.500 3.459 4.010 1.00 0.75 H new ATOM 153 N ARG A 11 -1.704 6.666 1.068 1.00 0.30 N ATOM 154 CA ARG A 11 -3.130 6.863 0.846 1.00 0.32 C ATOM 155 C ARG A 11 -3.406 7.205 -0.614 1.00 0.35 C ATOM 156 O ARG A 11 -4.146 6.508 -1.280 1.00 0.36 O ATOM 157 CB ARG A 11 -3.648 7.992 1.746 1.00 0.39 C ATOM 158 CG ARG A 11 -5.133 8.280 1.611 1.00 0.50 C ATOM 159 CD ARG A 11 -5.546 9.487 2.441 1.00 0.64 C ATOM 160 NE ARG A 11 -5.334 9.295 3.894 1.00 1.39 N ATOM 161 CZ ARG A 11 -5.300 10.298 4.795 1.00 1.86 C ATOM 162 NH1 ARG A 11 -5.441 11.554 4.396 1.00 1.90 N ATOM 163 NH2 ARG A 11 -5.139 10.040 6.084 1.00 2.88 N ATOM 0 H ARG A 11 -1.327 7.234 1.827 1.00 0.30 H new ATOM 0 HA ARG A 11 -3.647 5.936 1.092 1.00 0.32 H new ATOM 0 HB2 ARG A 11 -3.434 7.738 2.784 1.00 0.39 H new ATOM 0 HB3 ARG A 11 -3.093 8.902 1.520 1.00 0.39 H new ATOM 0 HG2 ARG A 11 -5.376 8.457 0.563 1.00 0.50 H new ATOM 0 HG3 ARG A 11 -5.704 7.407 1.928 1.00 0.50 H new ATOM 0 HD2 ARG A 11 -4.981 10.358 2.110 1.00 0.64 H new ATOM 0 HD3 ARG A 11 -6.599 9.702 2.259 1.00 0.64 H new ATOM 0 HE ARG A 11 -5.205 8.343 4.235 1.00 1.39 H new ATOM 0 HH11 ARG A 11 -5.575 11.763 3.407 1.00 1.90 H new ATOM 0 HH12 ARG A 11 -5.415 12.312 5.078 1.00 1.90 H new ATOM 0 HH21 ARG A 11 -5.039 9.076 6.403 1.00 2.88 H new ATOM 0 HH22 ARG A 11 -5.115 10.805 6.758 1.00 2.88 H new ATOM 177 N ARG A 12 -2.749 8.244 -1.101 1.00 0.40 N ATOM 178 CA ARG A 12 -2.955 8.740 -2.460 1.00 0.47 C ATOM 179 C ARG A 12 -2.594 7.685 -3.492 1.00 0.48 C ATOM 180 O ARG A 12 -3.333 7.465 -4.445 1.00 0.54 O ATOM 181 CB ARG A 12 -2.150 10.017 -2.684 1.00 0.60 C ATOM 182 CG ARG A 12 -2.477 11.102 -1.675 1.00 1.20 C ATOM 183 CD ARG A 12 -1.668 12.358 -1.893 1.00 1.30 C ATOM 184 NE ARG A 12 -2.053 13.049 -3.119 1.00 1.99 N ATOM 185 CZ ARG A 12 -2.631 14.260 -3.147 1.00 2.49 C ATOM 186 NH1 ARG A 12 -2.899 14.900 -2.007 1.00 2.42 N ATOM 187 NH2 ARG A 12 -2.939 14.826 -4.304 1.00 3.46 N ATOM 0 H ARG A 12 -2.056 8.771 -0.569 1.00 0.40 H new ATOM 0 HA ARG A 12 -4.013 8.970 -2.581 1.00 0.47 H new ATOM 0 HB2 ARG A 12 -1.086 9.785 -2.629 1.00 0.60 H new ATOM 0 HB3 ARG A 12 -2.343 10.392 -3.689 1.00 0.60 H new ATOM 0 HG2 ARG A 12 -3.538 11.342 -1.736 1.00 1.20 H new ATOM 0 HG3 ARG A 12 -2.293 10.725 -0.669 1.00 1.20 H new ATOM 0 HD2 ARG A 12 -1.801 13.027 -1.043 1.00 1.30 H new ATOM 0 HD3 ARG A 12 -0.609 12.104 -1.937 1.00 1.30 H new ATOM 0 HE ARG A 12 -1.872 12.584 -4.008 1.00 1.99 H new ATOM 0 HH11 ARG A 12 -2.665 14.469 -1.113 1.00 2.42 H new ATOM 0 HH12 ARG A 12 -3.338 15.820 -2.030 1.00 2.42 H new ATOM 0 HH21 ARG A 12 -2.737 14.341 -5.179 1.00 3.46 H new ATOM 0 HH22 ARG A 12 -3.378 15.746 -4.321 1.00 3.46 H new ATOM 201 N ALA A 13 -1.487 6.990 -3.262 1.00 0.47 N ATOM 202 CA ALA A 13 -1.030 5.938 -4.167 1.00 0.53 C ATOM 203 C ALA A 13 -2.043 4.802 -4.226 1.00 0.50 C ATOM 204 O ALA A 13 -2.345 4.257 -5.296 1.00 0.63 O ATOM 205 CB ALA A 13 0.322 5.403 -3.716 1.00 0.58 C ATOM 0 H ALA A 13 -0.885 7.136 -2.452 1.00 0.47 H new ATOM 0 HA ALA A 13 -0.928 6.367 -5.164 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.650 4.620 -4.400 1.00 0.58 H new ATOM 0 HB2 ALA A 13 1.052 6.213 -3.715 1.00 0.58 H new ATOM 0 HB3 ALA A 13 0.234 4.993 -2.710 1.00 0.58 H new ATOM 211 N LEU A 14 -2.576 4.475 -3.085 1.00 0.41 N ATOM 212 CA LEU A 14 -3.525 3.408 -2.950 1.00 0.41 C ATOM 213 C LEU A 14 -4.906 3.815 -3.481 1.00 0.47 C ATOM 214 O LEU A 14 -5.722 2.973 -3.782 1.00 0.62 O ATOM 215 CB LEU A 14 -3.540 2.947 -1.499 1.00 0.39 C ATOM 216 CG LEU A 14 -4.511 1.814 -1.099 1.00 0.45 C ATOM 217 CD1 LEU A 14 -4.225 0.531 -1.861 1.00 0.50 C ATOM 218 CD2 LEU A 14 -4.438 1.567 0.399 1.00 0.50 C ATOM 0 H LEU A 14 -2.360 4.949 -2.208 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.227 2.560 -3.566 1.00 0.41 H new ATOM 0 HB2 LEU A 14 -2.531 2.626 -1.242 1.00 0.39 H new ATOM 0 HB3 LEU A 14 -3.766 3.813 -0.878 1.00 0.39 H new ATOM 0 HG LEU A 14 -5.520 2.133 -1.362 1.00 0.45 H new ATOM 0 HD11 LEU A 14 -4.929 -0.241 -1.551 1.00 0.50 H new ATOM 0 HD12 LEU A 14 -4.332 0.712 -2.931 1.00 0.50 H new ATOM 0 HD13 LEU A 14 -3.208 0.201 -1.649 1.00 0.50 H new ATOM 0 HD21 LEU A 14 -5.126 0.766 0.670 1.00 0.50 H new ATOM 0 HD22 LEU A 14 -3.422 1.280 0.671 1.00 0.50 H new ATOM 0 HD23 LEU A 14 -4.713 2.477 0.932 1.00 0.50 H new ATOM 230 N VAL A 15 -5.160 5.099 -3.605 1.00 0.42 N ATOM 231 CA VAL A 15 -6.381 5.547 -4.258 1.00 0.49 C ATOM 232 C VAL A 15 -6.181 5.399 -5.760 1.00 0.51 C ATOM 233 O VAL A 15 -6.946 4.704 -6.436 1.00 0.60 O ATOM 234 CB VAL A 15 -6.732 7.034 -3.939 1.00 0.58 C ATOM 235 CG1 VAL A 15 -8.020 7.442 -4.646 1.00 0.74 C ATOM 236 CG2 VAL A 15 -6.884 7.259 -2.451 1.00 0.63 C ATOM 0 H VAL A 15 -4.551 5.845 -3.270 1.00 0.42 H new ATOM 0 HA VAL A 15 -7.207 4.940 -3.888 1.00 0.49 H new ATOM 0 HB VAL A 15 -5.907 7.648 -4.301 1.00 0.58 H new ATOM 0 HG11 VAL A 15 -8.250 8.482 -4.412 1.00 0.74 H new ATOM 0 HG12 VAL A 15 -7.895 7.331 -5.723 1.00 0.74 H new ATOM 0 HG13 VAL A 15 -8.838 6.805 -4.309 1.00 0.74 H new ATOM 0 HG21 VAL A 15 -7.128 8.305 -2.264 1.00 0.63 H new ATOM 0 HG22 VAL A 15 -7.684 6.625 -2.067 1.00 0.63 H new ATOM 0 HG23 VAL A 15 -5.950 7.009 -1.948 1.00 0.63 H new ATOM 246 N GLU A 16 -5.108 6.014 -6.260 1.00 0.53 N ATOM 247 CA GLU A 16 -4.773 6.052 -7.689 1.00 0.63 C ATOM 248 C GLU A 16 -4.636 4.665 -8.338 1.00 0.70 C ATOM 249 O GLU A 16 -4.717 4.553 -9.562 1.00 0.83 O ATOM 250 CB GLU A 16 -3.495 6.850 -7.929 1.00 0.77 C ATOM 251 CG GLU A 16 -3.564 8.302 -7.505 1.00 1.20 C ATOM 252 CD GLU A 16 -4.703 9.043 -8.146 1.00 1.52 C ATOM 253 OE1 GLU A 16 -4.733 9.156 -9.401 1.00 2.01 O ATOM 254 OE2 GLU A 16 -5.581 9.522 -7.418 1.00 2.04 O ATOM 0 H GLU A 16 -4.434 6.509 -5.675 1.00 0.53 H new ATOM 0 HA GLU A 16 -5.621 6.543 -8.167 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.677 6.368 -7.394 1.00 0.77 H new ATOM 0 HB3 GLU A 16 -3.251 6.807 -8.990 1.00 0.77 H new ATOM 0 HG2 GLU A 16 -3.667 8.355 -6.421 1.00 1.20 H new ATOM 0 HG3 GLU A 16 -2.626 8.795 -7.761 1.00 1.20 H new ATOM 261 N SER A 17 -4.420 3.622 -7.533 1.00 0.70 N ATOM 262 CA SER A 17 -4.317 2.269 -8.065 1.00 0.87 C ATOM 263 C SER A 17 -5.661 1.859 -8.716 1.00 0.95 C ATOM 264 O SER A 17 -5.699 1.395 -9.857 1.00 1.20 O ATOM 265 CB SER A 17 -3.924 1.277 -6.961 1.00 0.87 C ATOM 266 OG SER A 17 -2.737 1.691 -6.272 1.00 1.30 O ATOM 0 H SER A 17 -4.314 3.691 -6.521 1.00 0.70 H new ATOM 0 HA SER A 17 -3.536 2.249 -8.825 1.00 0.87 H new ATOM 0 HB2 SER A 17 -4.744 1.182 -6.249 1.00 0.87 H new ATOM 0 HB3 SER A 17 -3.766 0.291 -7.398 1.00 0.87 H new ATOM 0 HG SER A 17 -2.872 2.586 -5.896 1.00 1.30 H new ATOM 272 N ALA A 18 -6.756 2.068 -7.997 1.00 0.91 N ATOM 273 CA ALA A 18 -8.086 1.794 -8.525 1.00 1.10 C ATOM 274 C ALA A 18 -8.573 2.984 -9.331 1.00 1.37 C ATOM 275 O ALA A 18 -9.373 2.838 -10.264 1.00 1.93 O ATOM 276 CB ALA A 18 -9.061 1.497 -7.398 1.00 1.32 C ATOM 0 H ALA A 18 -6.749 2.428 -7.043 1.00 0.91 H new ATOM 0 HA ALA A 18 -8.030 0.918 -9.171 1.00 1.10 H new ATOM 0 HB1 ALA A 18 -10.048 1.295 -7.814 1.00 1.32 H new ATOM 0 HB2 ALA A 18 -8.718 0.626 -6.840 1.00 1.32 H new ATOM 0 HB3 ALA A 18 -9.118 2.357 -6.730 1.00 1.32 H new ATOM 282 N GLY A 19 -8.102 4.147 -8.954 1.00 1.34 N ATOM 283 CA GLY A 19 -8.441 5.362 -9.635 1.00 1.71 C ATOM 284 C GLY A 19 -8.853 6.422 -8.651 1.00 1.86 C ATOM 285 O GLY A 19 -9.442 6.096 -7.598 1.00 2.29 O ATOM 0 H GLY A 19 -7.471 4.273 -8.163 1.00 1.34 H new ATOM 0 HA2 GLY A 19 -7.587 5.710 -10.217 1.00 1.71 H new ATOM 0 HA3 GLY A 19 -9.252 5.177 -10.339 1.00 1.71 H new ATOM 289 N GLU A 20 -8.534 7.662 -8.964 1.00 2.32 N ATOM 290 CA GLU A 20 -8.870 8.819 -8.137 1.00 2.96 C ATOM 291 C GLU A 20 -10.375 8.926 -7.845 1.00 3.25 C ATOM 292 O GLU A 20 -11.172 9.381 -8.674 1.00 3.62 O ATOM 293 CB GLU A 20 -8.329 10.108 -8.758 1.00 3.80 C ATOM 294 CG GLU A 20 -8.684 10.309 -10.219 1.00 4.15 C ATOM 295 CD GLU A 20 -8.219 11.627 -10.728 1.00 4.90 C ATOM 296 OE1 GLU A 20 -8.913 12.639 -10.527 1.00 5.38 O ATOM 297 OE2 GLU A 20 -7.121 11.680 -11.340 1.00 5.29 O ATOM 0 H GLU A 20 -8.025 7.905 -9.814 1.00 2.32 H new ATOM 0 HA GLU A 20 -8.382 8.670 -7.174 1.00 2.96 H new ATOM 0 HB2 GLU A 20 -8.707 10.956 -8.187 1.00 3.80 H new ATOM 0 HB3 GLU A 20 -7.244 10.115 -8.658 1.00 3.80 H new ATOM 0 HG2 GLU A 20 -8.237 9.512 -10.814 1.00 4.15 H new ATOM 0 HG3 GLU A 20 -9.764 10.233 -10.344 1.00 4.15 H new ATOM 304 N THR A 21 -10.746 8.467 -6.662 1.00 3.60 N ATOM 305 CA THR A 21 -12.130 8.419 -6.201 1.00 4.23 C ATOM 306 C THR A 21 -12.949 7.384 -7.035 1.00 3.84 C ATOM 307 O THR A 21 -14.173 7.322 -6.984 1.00 4.28 O ATOM 308 CB THR A 21 -12.784 9.845 -6.196 1.00 5.33 C ATOM 309 OG1 THR A 21 -11.871 10.752 -5.560 1.00 5.74 O ATOM 310 CG2 THR A 21 -14.097 9.873 -5.409 1.00 6.11 C ATOM 0 H THR A 21 -10.081 8.108 -5.977 1.00 3.60 H new ATOM 0 HA THR A 21 -12.138 8.078 -5.166 1.00 4.23 H new ATOM 0 HB THR A 21 -12.995 10.125 -7.228 1.00 5.33 H new ATOM 0 HG1 THR A 21 -12.259 11.652 -5.547 1.00 5.74 H new ATOM 0 HG21 THR A 21 -14.514 10.880 -5.433 1.00 6.11 H new ATOM 0 HG22 THR A 21 -14.805 9.176 -5.858 1.00 6.11 H new ATOM 0 HG23 THR A 21 -13.908 9.583 -4.376 1.00 6.11 H new ATOM 318 N ASP A 22 -12.233 6.520 -7.739 1.00 3.43 N ATOM 319 CA ASP A 22 -12.848 5.434 -8.505 1.00 3.43 C ATOM 320 C ASP A 22 -12.959 4.231 -7.615 1.00 3.11 C ATOM 321 O ASP A 22 -13.826 3.379 -7.789 1.00 3.69 O ATOM 322 CB ASP A 22 -12.019 5.052 -9.750 1.00 3.93 C ATOM 323 CG ASP A 22 -12.030 6.066 -10.875 1.00 4.53 C ATOM 324 OD1 ASP A 22 -11.236 7.031 -10.824 1.00 4.69 O ATOM 325 OD2 ASP A 22 -12.865 5.964 -11.788 1.00 5.17 O ATOM 0 H ASP A 22 -11.215 6.547 -7.799 1.00 3.43 H new ATOM 0 HA ASP A 22 -13.825 5.774 -8.848 1.00 3.43 H new ATOM 0 HB2 ASP A 22 -10.986 4.888 -9.442 1.00 3.93 H new ATOM 0 HB3 ASP A 22 -12.391 4.103 -10.136 1.00 3.93 H new ATOM 330 N GLY A 23 -12.050 4.162 -6.659 1.00 2.73 N ATOM 331 CA GLY A 23 -12.046 3.083 -5.709 1.00 2.86 C ATOM 332 C GLY A 23 -13.132 3.252 -4.678 1.00 2.43 C ATOM 333 O GLY A 23 -14.178 2.604 -4.753 1.00 3.06 O ATOM 0 H GLY A 23 -11.306 4.847 -6.526 1.00 2.73 H new ATOM 0 HA2 GLY A 23 -12.183 2.136 -6.231 1.00 2.86 H new ATOM 0 HA3 GLY A 23 -11.076 3.036 -5.213 1.00 2.86 H new ATOM 337 N THR A 24 -12.905 4.144 -3.753 1.00 1.86 N ATOM 338 CA THR A 24 -13.820 4.417 -2.682 1.00 1.62 C ATOM 339 C THR A 24 -13.322 5.687 -2.002 1.00 1.71 C ATOM 340 O THR A 24 -12.399 6.340 -2.537 1.00 2.45 O ATOM 341 CB THR A 24 -13.886 3.208 -1.660 1.00 1.89 C ATOM 342 OG1 THR A 24 -14.884 3.425 -0.649 1.00 2.78 O ATOM 343 CG2 THR A 24 -12.529 2.962 -0.994 1.00 1.86 C ATOM 0 H THR A 24 -12.059 4.713 -3.724 1.00 1.86 H new ATOM 0 HA THR A 24 -14.834 4.549 -3.061 1.00 1.62 H new ATOM 0 HB THR A 24 -14.159 2.325 -2.238 1.00 1.89 H new ATOM 0 HG1 THR A 24 -14.900 2.661 -0.036 1.00 2.78 H new ATOM 0 HG21 THR A 24 -12.611 2.126 -0.299 1.00 1.86 H new ATOM 0 HG22 THR A 24 -11.786 2.729 -1.757 1.00 1.86 H new ATOM 0 HG23 THR A 24 -12.223 3.856 -0.451 1.00 1.86 H new ATOM 351 N ASP A 25 -13.862 6.027 -0.859 1.00 1.42 N ATOM 352 CA ASP A 25 -13.371 7.157 -0.116 1.00 1.72 C ATOM 353 C ASP A 25 -12.266 6.678 0.774 1.00 1.53 C ATOM 354 O ASP A 25 -12.500 6.081 1.832 1.00 2.31 O ATOM 355 CB ASP A 25 -14.459 7.844 0.713 1.00 2.23 C ATOM 356 CG ASP A 25 -13.917 9.033 1.494 1.00 2.37 C ATOM 357 OD1 ASP A 25 -13.881 10.163 0.943 1.00 2.90 O ATOM 358 OD2 ASP A 25 -13.524 8.866 2.664 1.00 2.58 O ATOM 0 H ASP A 25 -14.643 5.536 -0.423 1.00 1.42 H new ATOM 0 HA ASP A 25 -13.013 7.906 -0.823 1.00 1.72 H new ATOM 0 HB2 ASP A 25 -15.260 8.178 0.054 1.00 2.23 H new ATOM 0 HB3 ASP A 25 -14.896 7.124 1.405 1.00 2.23 H new ATOM 363 N LEU A 26 -11.072 6.856 0.325 1.00 1.00 N ATOM 364 CA LEU A 26 -9.943 6.425 1.060 1.00 0.87 C ATOM 365 C LEU A 26 -9.280 7.634 1.663 1.00 0.91 C ATOM 366 O LEU A 26 -8.342 8.199 1.104 1.00 1.19 O ATOM 367 CB LEU A 26 -8.984 5.627 0.170 1.00 0.95 C ATOM 368 CG LEU A 26 -7.781 4.984 0.858 1.00 0.69 C ATOM 369 CD1 LEU A 26 -8.231 3.969 1.895 1.00 1.18 C ATOM 370 CD2 LEU A 26 -6.888 4.331 -0.171 1.00 1.38 C ATOM 0 H LEU A 26 -10.855 7.306 -0.564 1.00 1.00 H new ATOM 0 HA LEU A 26 -10.250 5.753 1.861 1.00 0.87 H new ATOM 0 HB2 LEU A 26 -9.554 4.840 -0.324 1.00 0.95 H new ATOM 0 HB3 LEU A 26 -8.614 6.291 -0.612 1.00 0.95 H new ATOM 0 HG LEU A 26 -7.217 5.762 1.372 1.00 0.69 H new ATOM 0 HD11 LEU A 26 -7.358 3.524 2.372 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -8.842 4.465 2.649 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -8.816 3.188 1.410 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -6.032 3.875 0.327 1.00 1.38 H new ATOM 0 HD22 LEU A 26 -7.449 3.564 -0.705 1.00 1.38 H new ATOM 0 HD23 LEU A 26 -6.538 5.083 -0.878 1.00 1.38 H new ATOM 382 N SER A 27 -9.850 8.090 2.730 1.00 0.93 N ATOM 383 CA SER A 27 -9.357 9.222 3.435 1.00 1.07 C ATOM 384 C SER A 27 -9.528 8.960 4.925 1.00 1.06 C ATOM 385 O SER A 27 -10.243 8.016 5.319 1.00 1.46 O ATOM 386 CB SER A 27 -10.118 10.483 2.991 1.00 1.33 C ATOM 387 OG SER A 27 -9.562 11.671 3.552 1.00 1.80 O ATOM 0 H SER A 27 -10.687 7.677 3.142 1.00 0.93 H new ATOM 0 HA SER A 27 -8.301 9.386 3.220 1.00 1.07 H new ATOM 0 HB2 SER A 27 -10.099 10.553 1.903 1.00 1.33 H new ATOM 0 HB3 SER A 27 -11.164 10.398 3.287 1.00 1.33 H new ATOM 0 HG SER A 27 -10.073 12.448 3.244 1.00 1.80 H new ATOM 393 N GLY A 28 -8.886 9.753 5.738 1.00 1.43 N ATOM 394 CA GLY A 28 -8.941 9.566 7.158 1.00 1.57 C ATOM 395 C GLY A 28 -8.040 8.442 7.590 1.00 1.43 C ATOM 396 O GLY A 28 -7.078 8.112 6.885 1.00 1.82 O ATOM 0 H GLY A 28 -8.314 10.542 5.436 1.00 1.43 H new ATOM 0 HA2 GLY A 28 -8.646 10.487 7.661 1.00 1.57 H new ATOM 0 HA3 GLY A 28 -9.966 9.352 7.461 1.00 1.57 H new ATOM 400 N ASP A 29 -8.356 7.834 8.706 1.00 1.22 N ATOM 401 CA ASP A 29 -7.558 6.746 9.241 1.00 1.16 C ATOM 402 C ASP A 29 -7.850 5.497 8.464 1.00 0.99 C ATOM 403 O ASP A 29 -8.957 4.949 8.542 1.00 1.26 O ATOM 404 CB ASP A 29 -7.824 6.529 10.736 1.00 1.43 C ATOM 405 CG ASP A 29 -7.440 7.721 11.580 1.00 1.92 C ATOM 406 OD1 ASP A 29 -6.242 8.065 11.645 1.00 2.45 O ATOM 407 OD2 ASP A 29 -8.337 8.342 12.194 1.00 2.57 O ATOM 0 H ASP A 29 -9.170 8.074 9.272 1.00 1.22 H new ATOM 0 HA ASP A 29 -6.504 7.004 9.140 1.00 1.16 H new ATOM 0 HB2 ASP A 29 -8.882 6.311 10.884 1.00 1.43 H new ATOM 0 HB3 ASP A 29 -7.268 5.655 11.076 1.00 1.43 H new ATOM 412 N PHE A 30 -6.902 5.070 7.671 1.00 0.68 N ATOM 413 CA PHE A 30 -7.133 3.938 6.789 1.00 0.58 C ATOM 414 C PHE A 30 -6.232 2.744 7.090 1.00 0.44 C ATOM 415 O PHE A 30 -6.423 1.689 6.523 1.00 0.43 O ATOM 416 CB PHE A 30 -6.979 4.359 5.312 1.00 0.59 C ATOM 417 CG PHE A 30 -5.568 4.711 4.902 1.00 0.54 C ATOM 418 CD1 PHE A 30 -5.027 5.946 5.201 1.00 0.65 C ATOM 419 CD2 PHE A 30 -4.784 3.791 4.217 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.738 6.257 4.833 1.00 0.73 C ATOM 421 CE2 PHE A 30 -3.495 4.098 3.847 1.00 0.64 C ATOM 422 CZ PHE A 30 -2.969 5.330 4.156 1.00 0.71 C ATOM 0 H PHE A 30 -5.969 5.479 7.612 1.00 0.68 H new ATOM 0 HA PHE A 30 -8.157 3.614 6.973 1.00 0.58 H new ATOM 0 HB2 PHE A 30 -7.336 3.548 4.678 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -7.623 5.218 5.124 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -5.622 6.676 5.730 1.00 0.65 H new ATOM 0 HD2 PHE A 30 -5.192 2.822 3.972 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -3.327 7.226 5.074 1.00 0.73 H new ATOM 0 HE2 PHE A 30 -2.898 3.373 3.315 1.00 0.64 H new ATOM 0 HZ PHE A 30 -1.956 5.573 3.870 1.00 0.71 H new ATOM 432 N LEU A 31 -5.282 2.894 8.002 1.00 0.41 N ATOM 433 CA LEU A 31 -4.328 1.805 8.277 1.00 0.35 C ATOM 434 C LEU A 31 -5.020 0.645 8.964 1.00 0.35 C ATOM 435 O LEU A 31 -4.611 -0.507 8.825 1.00 0.40 O ATOM 436 CB LEU A 31 -3.102 2.263 9.113 1.00 0.43 C ATOM 437 CG LEU A 31 -2.093 3.232 8.457 1.00 0.58 C ATOM 438 CD1 LEU A 31 -1.592 2.703 7.124 1.00 0.64 C ATOM 439 CD2 LEU A 31 -2.656 4.634 8.319 1.00 1.26 C ATOM 0 H LEU A 31 -5.144 3.737 8.559 1.00 0.41 H new ATOM 0 HA LEU A 31 -3.949 1.482 7.307 1.00 0.35 H new ATOM 0 HB2 LEU A 31 -3.476 2.736 10.021 1.00 0.43 H new ATOM 0 HB3 LEU A 31 -2.556 1.371 9.420 1.00 0.43 H new ATOM 0 HG LEU A 31 -1.236 3.295 9.128 1.00 0.58 H new ATOM 0 HD11 LEU A 31 -0.885 3.412 6.694 1.00 0.64 H new ATOM 0 HD12 LEU A 31 -1.097 1.744 7.276 1.00 0.64 H new ATOM 0 HD13 LEU A 31 -2.434 2.573 6.444 1.00 0.64 H new ATOM 0 HD21 LEU A 31 -1.912 5.280 7.853 1.00 1.26 H new ATOM 0 HD22 LEU A 31 -3.552 4.607 7.699 1.00 1.26 H new ATOM 0 HD23 LEU A 31 -2.908 5.023 9.305 1.00 1.26 H new ATOM 451 N ASP A 32 -6.077 0.961 9.683 1.00 0.41 N ATOM 452 CA ASP A 32 -6.861 -0.041 10.394 1.00 0.54 C ATOM 453 C ASP A 32 -8.072 -0.469 9.588 1.00 0.47 C ATOM 454 O ASP A 32 -8.946 -1.167 10.092 1.00 0.57 O ATOM 455 CB ASP A 32 -7.308 0.463 11.769 1.00 0.78 C ATOM 456 CG ASP A 32 -6.162 0.731 12.697 1.00 1.51 C ATOM 457 OD1 ASP A 32 -5.657 -0.210 13.344 1.00 2.24 O ATOM 458 OD2 ASP A 32 -5.725 1.903 12.808 1.00 2.09 O ATOM 0 H ASP A 32 -6.420 1.915 9.794 1.00 0.41 H new ATOM 0 HA ASP A 32 -6.211 -0.904 10.537 1.00 0.54 H new ATOM 0 HB2 ASP A 32 -7.888 1.377 11.643 1.00 0.78 H new ATOM 0 HB3 ASP A 32 -7.970 -0.275 12.222 1.00 0.78 H new ATOM 463 N LEU A 33 -8.136 -0.055 8.351 1.00 0.41 N ATOM 464 CA LEU A 33 -9.212 -0.468 7.484 1.00 0.42 C ATOM 465 C LEU A 33 -8.684 -1.535 6.582 1.00 0.45 C ATOM 466 O LEU A 33 -7.613 -1.395 6.036 1.00 0.76 O ATOM 467 CB LEU A 33 -9.757 0.699 6.653 1.00 0.49 C ATOM 468 CG LEU A 33 -10.411 1.842 7.429 1.00 0.98 C ATOM 469 CD1 LEU A 33 -10.906 2.909 6.469 1.00 1.73 C ATOM 470 CD2 LEU A 33 -11.559 1.324 8.287 1.00 1.56 C ATOM 0 H LEU A 33 -7.455 0.569 7.918 1.00 0.41 H new ATOM 0 HA LEU A 33 -10.039 -0.839 8.090 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -8.937 1.111 6.065 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -10.488 0.304 5.948 1.00 0.49 H new ATOM 0 HG LEU A 33 -9.665 2.283 8.090 1.00 0.98 H new ATOM 0 HD11 LEU A 33 -11.370 3.718 7.033 1.00 1.73 H new ATOM 0 HD12 LEU A 33 -10.066 3.301 5.896 1.00 1.73 H new ATOM 0 HD13 LEU A 33 -11.638 2.475 5.788 1.00 1.73 H new ATOM 0 HD21 LEU A 33 -12.010 2.154 8.831 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -12.309 0.858 7.648 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -11.180 0.589 8.997 1.00 1.56 H new ATOM 482 N ARG A 34 -9.404 -2.595 6.437 1.00 0.38 N ATOM 483 CA ARG A 34 -8.947 -3.703 5.633 1.00 0.36 C ATOM 484 C ARG A 34 -9.157 -3.378 4.172 1.00 0.35 C ATOM 485 O ARG A 34 -9.937 -2.486 3.823 1.00 0.40 O ATOM 486 CB ARG A 34 -9.759 -4.938 5.970 1.00 0.40 C ATOM 487 CG ARG A 34 -9.723 -5.334 7.423 1.00 0.53 C ATOM 488 CD ARG A 34 -10.832 -6.314 7.723 1.00 0.62 C ATOM 489 NE ARG A 34 -12.146 -5.726 7.413 1.00 1.55 N ATOM 490 CZ ARG A 34 -13.295 -6.381 7.170 1.00 1.98 C ATOM 491 NH1 ARG A 34 -13.386 -7.695 7.332 1.00 1.70 N ATOM 492 NH2 ARG A 34 -14.367 -5.687 6.813 1.00 3.10 N ATOM 0 H ARG A 34 -10.321 -2.729 6.864 1.00 0.38 H new ATOM 0 HA ARG A 34 -7.891 -3.882 5.833 1.00 0.36 H new ATOM 0 HB2 ARG A 34 -10.795 -4.766 5.679 1.00 0.40 H new ATOM 0 HB3 ARG A 34 -9.394 -5.772 5.370 1.00 0.40 H new ATOM 0 HG2 ARG A 34 -8.758 -5.781 7.662 1.00 0.53 H new ATOM 0 HG3 ARG A 34 -9.829 -4.450 8.051 1.00 0.53 H new ATOM 0 HD2 ARG A 34 -10.688 -7.223 7.139 1.00 0.62 H new ATOM 0 HD3 ARG A 34 -10.796 -6.601 8.774 1.00 0.62 H new ATOM 0 HE ARG A 34 -12.190 -4.708 7.379 1.00 1.55 H new ATOM 0 HH11 ARG A 34 -12.575 -8.227 7.646 1.00 1.70 H new ATOM 0 HH12 ARG A 34 -14.267 -8.172 7.142 1.00 1.70 H new ATOM 0 HH21 ARG A 34 -14.312 -4.672 6.726 1.00 3.10 H new ATOM 0 HH22 ARG A 34 -15.247 -6.168 6.625 1.00 3.10 H new ATOM 506 N PHE A 35 -8.521 -4.119 3.318 1.00 0.33 N ATOM 507 CA PHE A 35 -8.719 -3.957 1.904 1.00 0.33 C ATOM 508 C PHE A 35 -10.072 -4.531 1.554 1.00 0.36 C ATOM 509 O PHE A 35 -10.738 -4.076 0.640 1.00 0.36 O ATOM 510 CB PHE A 35 -7.603 -4.621 1.123 1.00 0.36 C ATOM 511 CG PHE A 35 -6.262 -4.035 1.429 1.00 0.34 C ATOM 512 CD1 PHE A 35 -5.964 -2.733 1.067 1.00 0.35 C ATOM 513 CD2 PHE A 35 -5.303 -4.776 2.083 1.00 0.39 C ATOM 514 CE1 PHE A 35 -4.732 -2.187 1.351 1.00 0.40 C ATOM 515 CE2 PHE A 35 -4.069 -4.237 2.369 1.00 0.43 C ATOM 516 CZ PHE A 35 -3.784 -2.942 2.001 1.00 0.43 C ATOM 0 H PHE A 35 -7.855 -4.848 3.574 1.00 0.33 H new ATOM 0 HA PHE A 35 -8.695 -2.901 1.635 1.00 0.33 H new ATOM 0 HB2 PHE A 35 -7.590 -5.687 1.349 1.00 0.36 H new ATOM 0 HB3 PHE A 35 -7.803 -4.524 0.056 1.00 0.36 H new ATOM 0 HD1 PHE A 35 -6.706 -2.138 0.556 1.00 0.35 H new ATOM 0 HD2 PHE A 35 -5.522 -5.792 2.375 1.00 0.39 H new ATOM 0 HE1 PHE A 35 -4.511 -1.169 1.064 1.00 0.40 H new ATOM 0 HE2 PHE A 35 -3.326 -4.830 2.881 1.00 0.43 H new ATOM 0 HZ PHE A 35 -2.816 -2.518 2.223 1.00 0.43 H new ATOM 526 N GLU A 36 -10.488 -5.503 2.360 1.00 0.44 N ATOM 527 CA GLU A 36 -11.820 -6.079 2.298 1.00 0.55 C ATOM 528 C GLU A 36 -12.884 -5.012 2.644 1.00 0.56 C ATOM 529 O GLU A 36 -14.056 -5.143 2.281 1.00 0.65 O ATOM 530 CB GLU A 36 -11.923 -7.295 3.234 1.00 0.70 C ATOM 531 CG GLU A 36 -10.958 -8.416 2.866 1.00 1.23 C ATOM 532 CD GLU A 36 -11.053 -9.625 3.766 1.00 1.69 C ATOM 533 OE1 GLU A 36 -11.914 -10.500 3.532 1.00 1.94 O ATOM 534 OE2 GLU A 36 -10.305 -9.697 4.761 1.00 2.48 O ATOM 0 H GLU A 36 -9.899 -5.916 3.083 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.008 -6.423 1.281 1.00 0.55 H new ATOM 0 HB2 GLU A 36 -11.726 -6.976 4.258 1.00 0.70 H new ATOM 0 HB3 GLU A 36 -12.943 -7.679 3.210 1.00 0.70 H new ATOM 0 HG2 GLU A 36 -11.150 -8.724 1.838 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -9.939 -8.030 2.898 1.00 1.23 H new ATOM 541 N ASP A 37 -12.458 -3.967 3.370 1.00 0.55 N ATOM 542 CA ASP A 37 -13.336 -2.842 3.721 1.00 0.66 C ATOM 543 C ASP A 37 -13.423 -1.866 2.586 1.00 0.59 C ATOM 544 O ASP A 37 -14.497 -1.379 2.266 1.00 0.71 O ATOM 545 CB ASP A 37 -12.860 -2.061 4.965 1.00 0.79 C ATOM 546 CG ASP A 37 -13.078 -2.767 6.260 1.00 1.32 C ATOM 547 OD1 ASP A 37 -14.235 -3.038 6.620 1.00 1.48 O ATOM 548 OD2 ASP A 37 -12.090 -3.083 6.942 1.00 2.01 O ATOM 0 H ASP A 37 -11.506 -3.879 3.726 1.00 0.55 H new ATOM 0 HA ASP A 37 -14.306 -3.290 3.938 1.00 0.66 H new ATOM 0 HB2 ASP A 37 -11.797 -1.845 4.858 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.378 -1.103 4.997 1.00 0.79 H new ATOM 553 N ILE A 38 -12.286 -1.587 1.970 1.00 0.49 N ATOM 554 CA ILE A 38 -12.214 -0.569 0.927 1.00 0.49 C ATOM 555 C ILE A 38 -12.378 -1.121 -0.492 1.00 0.45 C ATOM 556 O ILE A 38 -12.188 -0.396 -1.471 1.00 0.49 O ATOM 557 CB ILE A 38 -10.922 0.289 1.021 1.00 0.52 C ATOM 558 CG1 ILE A 38 -9.669 -0.596 0.878 1.00 0.47 C ATOM 559 CG2 ILE A 38 -10.897 1.059 2.338 1.00 0.65 C ATOM 560 CD1 ILE A 38 -8.357 0.169 0.892 1.00 0.56 C ATOM 0 H ILE A 38 -11.399 -2.049 2.172 1.00 0.49 H new ATOM 0 HA ILE A 38 -13.073 0.074 1.119 1.00 0.49 H new ATOM 0 HB ILE A 38 -10.920 1.007 0.201 1.00 0.52 H new ATOM 0 HG12 ILE A 38 -9.659 -1.325 1.688 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -9.739 -1.156 -0.054 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -9.987 1.657 2.393 1.00 0.65 H new ATOM 0 HG22 ILE A 38 -11.766 1.715 2.393 1.00 0.65 H new ATOM 0 HG23 ILE A 38 -10.920 0.356 3.171 1.00 0.65 H new ATOM 0 HD11 ILE A 38 -7.527 -0.530 0.786 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -8.341 0.879 0.065 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -8.260 0.708 1.835 1.00 0.56 H new ATOM 572 N GLY A 39 -12.798 -2.360 -0.598 1.00 0.44 N ATOM 573 CA GLY A 39 -13.039 -2.968 -1.896 1.00 0.47 C ATOM 574 C GLY A 39 -11.769 -3.176 -2.708 1.00 0.42 C ATOM 575 O GLY A 39 -11.696 -2.775 -3.870 1.00 0.55 O ATOM 0 H GLY A 39 -12.982 -2.972 0.197 1.00 0.44 H new ATOM 0 HA2 GLY A 39 -13.532 -3.929 -1.753 1.00 0.47 H new ATOM 0 HA3 GLY A 39 -13.725 -2.339 -2.463 1.00 0.47 H new ATOM 579 N TYR A 40 -10.774 -3.771 -2.101 1.00 0.35 N ATOM 580 CA TYR A 40 -9.525 -4.047 -2.752 1.00 0.34 C ATOM 581 C TYR A 40 -9.162 -5.513 -2.648 1.00 0.38 C ATOM 582 O TYR A 40 -9.178 -6.093 -1.561 1.00 0.55 O ATOM 583 CB TYR A 40 -8.418 -3.216 -2.136 1.00 0.34 C ATOM 584 CG TYR A 40 -7.976 -2.049 -2.969 1.00 0.48 C ATOM 585 CD1 TYR A 40 -8.590 -0.821 -2.821 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.958 -2.166 -3.902 1.00 0.57 C ATOM 587 CE1 TYR A 40 -8.211 0.264 -3.570 1.00 0.81 C ATOM 588 CE2 TYR A 40 -6.567 -1.081 -4.659 1.00 0.77 C ATOM 589 CZ TYR A 40 -7.120 0.074 -4.524 1.00 0.88 C ATOM 590 OH TYR A 40 -6.830 1.213 -5.237 1.00 1.10 O ATOM 0 H TYR A 40 -10.812 -4.080 -1.130 1.00 0.35 H new ATOM 0 HA TYR A 40 -9.639 -3.789 -3.805 1.00 0.34 H new ATOM 0 HB2 TYR A 40 -8.755 -2.847 -1.167 1.00 0.34 H new ATOM 0 HB3 TYR A 40 -7.558 -3.860 -1.951 1.00 0.34 H new ATOM 0 HD1 TYR A 40 -9.386 -0.712 -2.100 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.465 -3.117 -4.038 1.00 0.57 H new ATOM 0 HE1 TYR A 40 -8.699 1.221 -3.459 1.00 0.81 H new ATOM 0 HE2 TYR A 40 -5.776 -1.204 -5.384 1.00 0.77 H new ATOM 0 HH TYR A 40 -6.099 1.696 -4.799 1.00 1.10 H new ATOM 600 N ASP A 41 -8.858 -6.112 -3.773 1.00 0.47 N ATOM 601 CA ASP A 41 -8.391 -7.499 -3.814 1.00 0.57 C ATOM 602 C ASP A 41 -6.898 -7.523 -3.640 1.00 0.43 C ATOM 603 O ASP A 41 -6.233 -6.499 -3.832 1.00 0.37 O ATOM 604 CB ASP A 41 -8.721 -8.183 -5.149 1.00 0.83 C ATOM 605 CG ASP A 41 -10.185 -8.415 -5.379 1.00 1.34 C ATOM 606 OD1 ASP A 41 -10.859 -7.549 -5.968 1.00 1.76 O ATOM 607 OD2 ASP A 41 -10.688 -9.490 -5.010 1.00 1.89 O ATOM 0 H ASP A 41 -8.923 -5.665 -4.688 1.00 0.47 H new ATOM 0 HA ASP A 41 -8.898 -8.036 -3.013 1.00 0.57 H new ATOM 0 HB2 ASP A 41 -8.330 -7.573 -5.963 1.00 0.83 H new ATOM 0 HB3 ASP A 41 -8.202 -9.141 -5.191 1.00 0.83 H new ATOM 612 N SER A 42 -6.356 -8.694 -3.350 1.00 0.49 N ATOM 613 CA SER A 42 -4.917 -8.859 -3.161 1.00 0.49 C ATOM 614 C SER A 42 -4.208 -8.605 -4.491 1.00 0.45 C ATOM 615 O SER A 42 -3.062 -8.157 -4.546 1.00 0.44 O ATOM 616 CB SER A 42 -4.632 -10.273 -2.712 1.00 0.69 C ATOM 617 OG SER A 42 -5.604 -10.685 -1.715 1.00 0.88 O ATOM 0 H SER A 42 -6.893 -9.554 -3.239 1.00 0.49 H new ATOM 0 HA SER A 42 -4.561 -8.155 -2.409 1.00 0.49 H new ATOM 0 HB2 SER A 42 -4.667 -10.948 -3.567 1.00 0.69 H new ATOM 0 HB3 SER A 42 -3.626 -10.336 -2.298 1.00 0.69 H new ATOM 622 N LEU A 43 -4.934 -8.893 -5.552 1.00 0.51 N ATOM 623 CA LEU A 43 -4.493 -8.687 -6.915 1.00 0.59 C ATOM 624 C LEU A 43 -4.159 -7.221 -7.145 1.00 0.51 C ATOM 625 O LEU A 43 -3.067 -6.883 -7.600 1.00 0.55 O ATOM 626 CB LEU A 43 -5.602 -9.140 -7.857 1.00 0.75 C ATOM 627 CG LEU A 43 -5.971 -10.618 -7.751 1.00 0.89 C ATOM 628 CD1 LEU A 43 -7.218 -10.924 -8.560 1.00 1.70 C ATOM 629 CD2 LEU A 43 -4.811 -11.476 -8.221 1.00 1.43 C ATOM 0 H LEU A 43 -5.872 -9.287 -5.487 1.00 0.51 H new ATOM 0 HA LEU A 43 -3.591 -9.269 -7.106 1.00 0.59 H new ATOM 0 HB2 LEU A 43 -6.493 -8.543 -7.660 1.00 0.75 H new ATOM 0 HB3 LEU A 43 -5.297 -8.929 -8.882 1.00 0.75 H new ATOM 0 HG LEU A 43 -6.182 -10.848 -6.707 1.00 0.89 H new ATOM 0 HD11 LEU A 43 -7.460 -11.983 -8.468 1.00 1.70 H new ATOM 0 HD12 LEU A 43 -8.050 -10.328 -8.186 1.00 1.70 H new ATOM 0 HD13 LEU A 43 -7.040 -10.682 -9.608 1.00 1.70 H new ATOM 0 HD21 LEU A 43 -5.082 -12.529 -8.142 1.00 1.43 H new ATOM 0 HD22 LEU A 43 -4.579 -11.238 -9.259 1.00 1.43 H new ATOM 0 HD23 LEU A 43 -3.937 -11.279 -7.600 1.00 1.43 H new ATOM 641 N ALA A 44 -5.077 -6.359 -6.751 1.00 0.46 N ATOM 642 CA ALA A 44 -4.910 -4.926 -6.904 1.00 0.45 C ATOM 643 C ALA A 44 -3.796 -4.400 -5.996 1.00 0.37 C ATOM 644 O ALA A 44 -3.140 -3.415 -6.313 1.00 0.41 O ATOM 645 CB ALA A 44 -6.218 -4.216 -6.616 1.00 0.46 C ATOM 0 H ALA A 44 -5.959 -6.632 -6.316 1.00 0.46 H new ATOM 0 HA ALA A 44 -4.620 -4.722 -7.935 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.082 -3.141 -6.734 1.00 0.46 H new ATOM 0 HB2 ALA A 44 -6.982 -4.563 -7.312 1.00 0.46 H new ATOM 0 HB3 ALA A 44 -6.532 -4.432 -5.595 1.00 0.46 H new ATOM 651 N LEU A 45 -3.558 -5.092 -4.895 1.00 0.31 N ATOM 652 CA LEU A 45 -2.520 -4.699 -3.943 1.00 0.26 C ATOM 653 C LEU A 45 -1.142 -4.849 -4.544 1.00 0.24 C ATOM 654 O LEU A 45 -0.226 -4.087 -4.229 1.00 0.25 O ATOM 655 CB LEU A 45 -2.610 -5.525 -2.676 1.00 0.24 C ATOM 656 CG LEU A 45 -3.932 -5.455 -1.951 1.00 0.26 C ATOM 657 CD1 LEU A 45 -3.887 -6.294 -0.697 1.00 0.27 C ATOM 658 CD2 LEU A 45 -4.277 -4.016 -1.634 1.00 0.30 C ATOM 0 H LEU A 45 -4.070 -5.934 -4.633 1.00 0.31 H new ATOM 0 HA LEU A 45 -2.684 -3.650 -3.699 1.00 0.26 H new ATOM 0 HB2 LEU A 45 -2.406 -6.566 -2.926 1.00 0.24 H new ATOM 0 HB3 LEU A 45 -1.823 -5.201 -1.995 1.00 0.24 H new ATOM 0 HG LEU A 45 -4.713 -5.857 -2.596 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -4.847 -6.234 -0.184 1.00 0.27 H new ATOM 0 HD12 LEU A 45 -3.681 -7.331 -0.960 1.00 0.27 H new ATOM 0 HD13 LEU A 45 -3.101 -5.923 -0.039 1.00 0.27 H new ATOM 0 HD21 LEU A 45 -5.233 -3.978 -1.111 1.00 0.30 H new ATOM 0 HD22 LEU A 45 -3.500 -3.586 -1.002 1.00 0.30 H new ATOM 0 HD23 LEU A 45 -4.347 -3.446 -2.560 1.00 0.30 H new ATOM 670 N MET A 46 -0.995 -5.818 -5.429 1.00 0.26 N ATOM 671 CA MET A 46 0.279 -6.042 -6.098 1.00 0.28 C ATOM 672 C MET A 46 0.565 -4.892 -7.054 1.00 0.29 C ATOM 673 O MET A 46 1.720 -4.507 -7.253 1.00 0.34 O ATOM 674 CB MET A 46 0.299 -7.389 -6.825 1.00 0.32 C ATOM 675 CG MET A 46 0.100 -8.580 -5.898 1.00 0.34 C ATOM 676 SD MET A 46 0.060 -10.164 -6.761 1.00 0.43 S ATOM 677 CE MET A 46 -1.289 -9.910 -7.912 1.00 1.70 C ATOM 0 H MET A 46 -1.737 -6.462 -5.702 1.00 0.26 H new ATOM 0 HA MET A 46 1.067 -6.076 -5.346 1.00 0.28 H new ATOM 0 HB2 MET A 46 -0.483 -7.395 -7.585 1.00 0.32 H new ATOM 0 HB3 MET A 46 1.250 -7.498 -7.346 1.00 0.32 H new ATOM 0 HG2 MET A 46 0.904 -8.596 -5.162 1.00 0.34 H new ATOM 0 HG3 MET A 46 -0.832 -8.451 -5.348 1.00 0.34 H new ATOM 0 HE1 MET A 46 -1.975 -10.756 -7.861 1.00 1.70 H new ATOM 0 HE2 MET A 46 -1.821 -8.995 -7.653 1.00 1.70 H new ATOM 0 HE3 MET A 46 -0.893 -9.825 -8.924 1.00 1.70 H new ATOM 687 N GLU A 47 -0.504 -4.311 -7.589 1.00 0.31 N ATOM 688 CA GLU A 47 -0.421 -3.149 -8.462 1.00 0.38 C ATOM 689 C GLU A 47 -0.013 -1.933 -7.610 1.00 0.37 C ATOM 690 O GLU A 47 0.870 -1.149 -7.993 1.00 0.46 O ATOM 691 CB GLU A 47 -1.787 -2.904 -9.130 1.00 0.46 C ATOM 692 CG GLU A 47 -1.811 -1.791 -10.182 1.00 0.87 C ATOM 693 CD GLU A 47 -0.979 -2.096 -11.413 1.00 1.25 C ATOM 694 OE1 GLU A 47 0.256 -1.999 -11.355 1.00 1.92 O ATOM 695 OE2 GLU A 47 -1.549 -2.420 -12.474 1.00 1.68 O ATOM 0 H GLU A 47 -1.457 -4.636 -7.427 1.00 0.31 H new ATOM 0 HA GLU A 47 0.319 -3.313 -9.246 1.00 0.38 H new ATOM 0 HB2 GLU A 47 -2.115 -3.832 -9.599 1.00 0.46 H new ATOM 0 HB3 GLU A 47 -2.514 -2.664 -8.354 1.00 0.46 H new ATOM 0 HG2 GLU A 47 -2.842 -1.614 -10.487 1.00 0.87 H new ATOM 0 HG3 GLU A 47 -1.449 -0.868 -9.729 1.00 0.87 H new ATOM 702 N THR A 48 -0.642 -1.801 -6.449 1.00 0.32 N ATOM 703 CA THR A 48 -0.320 -0.756 -5.495 1.00 0.34 C ATOM 704 C THR A 48 1.159 -0.854 -5.058 1.00 0.30 C ATOM 705 O THR A 48 1.850 0.152 -4.950 1.00 0.36 O ATOM 706 CB THR A 48 -1.246 -0.856 -4.272 1.00 0.35 C ATOM 707 OG1 THR A 48 -2.603 -0.799 -4.722 1.00 0.43 O ATOM 708 CG2 THR A 48 -0.988 0.288 -3.301 1.00 0.39 C ATOM 0 H THR A 48 -1.393 -2.421 -6.144 1.00 0.32 H new ATOM 0 HA THR A 48 -0.471 0.211 -5.975 1.00 0.34 H new ATOM 0 HB THR A 48 -1.052 -1.795 -3.754 1.00 0.35 H new ATOM 0 HG1 THR A 48 -2.763 0.057 -5.171 1.00 0.43 H new ATOM 0 HG21 THR A 48 -1.655 0.195 -2.444 1.00 0.39 H new ATOM 0 HG22 THR A 48 0.047 0.250 -2.961 1.00 0.39 H new ATOM 0 HG23 THR A 48 -1.171 1.239 -3.802 1.00 0.39 H new ATOM 716 N ALA A 49 1.634 -2.055 -4.822 1.00 0.26 N ATOM 717 CA ALA A 49 3.023 -2.237 -4.472 1.00 0.25 C ATOM 718 C ALA A 49 3.930 -1.907 -5.668 1.00 0.26 C ATOM 719 O ALA A 49 4.932 -1.230 -5.508 1.00 0.29 O ATOM 720 CB ALA A 49 3.275 -3.642 -3.944 1.00 0.26 C ATOM 0 H ALA A 49 1.085 -2.913 -4.865 1.00 0.26 H new ATOM 0 HA ALA A 49 3.269 -1.543 -3.669 1.00 0.25 H new ATOM 0 HB1 ALA A 49 4.329 -3.751 -3.688 1.00 0.26 H new ATOM 0 HB2 ALA A 49 2.667 -3.811 -3.056 1.00 0.26 H new ATOM 0 HB3 ALA A 49 3.010 -4.371 -4.710 1.00 0.26 H new ATOM 726 N ALA A 50 3.514 -2.323 -6.872 1.00 0.26 N ATOM 727 CA ALA A 50 4.284 -2.102 -8.115 1.00 0.29 C ATOM 728 C ALA A 50 4.558 -0.619 -8.376 1.00 0.27 C ATOM 729 O ALA A 50 5.674 -0.236 -8.749 1.00 0.27 O ATOM 730 CB ALA A 50 3.565 -2.718 -9.310 1.00 0.38 C ATOM 0 H ALA A 50 2.636 -2.822 -7.017 1.00 0.26 H new ATOM 0 HA ALA A 50 5.247 -2.594 -7.980 1.00 0.29 H new ATOM 0 HB1 ALA A 50 4.148 -2.544 -10.214 1.00 0.38 H new ATOM 0 HB2 ALA A 50 3.450 -3.790 -9.152 1.00 0.38 H new ATOM 0 HB3 ALA A 50 2.582 -2.260 -9.419 1.00 0.38 H new ATOM 736 N ARG A 51 3.550 0.218 -8.142 1.00 0.31 N ATOM 737 CA ARG A 51 3.685 1.668 -8.358 1.00 0.34 C ATOM 738 C ARG A 51 4.641 2.281 -7.350 1.00 0.32 C ATOM 739 O ARG A 51 5.265 3.307 -7.611 1.00 0.37 O ATOM 740 CB ARG A 51 2.314 2.383 -8.332 1.00 0.45 C ATOM 741 CG ARG A 51 1.517 2.171 -7.059 1.00 0.79 C ATOM 742 CD ARG A 51 0.142 2.801 -7.123 1.00 0.94 C ATOM 743 NE ARG A 51 0.190 4.261 -7.089 1.00 1.04 N ATOM 744 CZ ARG A 51 -0.268 5.068 -8.073 1.00 1.71 C ATOM 745 NH1 ARG A 51 -0.830 4.547 -9.162 1.00 1.90 N ATOM 746 NH2 ARG A 51 -0.152 6.385 -7.960 1.00 2.54 N ATOM 0 H ARG A 51 2.633 -0.075 -7.805 1.00 0.31 H new ATOM 0 HA ARG A 51 4.105 1.811 -9.354 1.00 0.34 H new ATOM 0 HB2 ARG A 51 2.474 3.452 -8.472 1.00 0.45 H new ATOM 0 HB3 ARG A 51 1.721 2.036 -9.178 1.00 0.45 H new ATOM 0 HG2 ARG A 51 1.415 1.102 -6.872 1.00 0.79 H new ATOM 0 HG3 ARG A 51 2.066 2.591 -6.216 1.00 0.79 H new ATOM 0 HD2 ARG A 51 -0.359 2.479 -8.036 1.00 0.94 H new ATOM 0 HD3 ARG A 51 -0.457 2.441 -6.287 1.00 0.94 H new ATOM 0 HE ARG A 51 0.598 4.703 -6.265 1.00 1.04 H new ATOM 0 HH11 ARG A 51 -0.917 3.535 -9.257 1.00 1.90 H new ATOM 0 HH12 ARG A 51 -1.174 5.160 -9.901 1.00 1.90 H new ATOM 0 HH21 ARG A 51 0.283 6.789 -7.131 1.00 2.54 H new ATOM 0 HH22 ARG A 51 -0.498 6.993 -8.703 1.00 2.54 H new ATOM 760 N LEU A 52 4.765 1.641 -6.210 1.00 0.29 N ATOM 761 CA LEU A 52 5.653 2.099 -5.179 1.00 0.30 C ATOM 762 C LEU A 52 7.069 1.608 -5.453 1.00 0.29 C ATOM 763 O LEU A 52 8.032 2.359 -5.288 1.00 0.34 O ATOM 764 CB LEU A 52 5.156 1.649 -3.808 1.00 0.30 C ATOM 765 CG LEU A 52 3.776 2.184 -3.405 1.00 0.34 C ATOM 766 CD1 LEU A 52 3.340 1.607 -2.074 1.00 0.37 C ATOM 767 CD2 LEU A 52 3.784 3.706 -3.349 1.00 0.40 C ATOM 0 H LEU A 52 4.252 0.791 -5.976 1.00 0.29 H new ATOM 0 HA LEU A 52 5.670 3.189 -5.179 1.00 0.30 H new ATOM 0 HB2 LEU A 52 5.125 0.560 -3.790 1.00 0.30 H new ATOM 0 HB3 LEU A 52 5.882 1.959 -3.056 1.00 0.30 H new ATOM 0 HG LEU A 52 3.059 1.871 -4.164 1.00 0.34 H new ATOM 0 HD11 LEU A 52 2.359 2.002 -1.810 1.00 0.37 H new ATOM 0 HD12 LEU A 52 3.286 0.521 -2.148 1.00 0.37 H new ATOM 0 HD13 LEU A 52 4.061 1.883 -1.304 1.00 0.37 H new ATOM 0 HD21 LEU A 52 2.796 4.065 -3.061 1.00 0.40 H new ATOM 0 HD22 LEU A 52 4.519 4.039 -2.616 1.00 0.40 H new ATOM 0 HD23 LEU A 52 4.043 4.105 -4.330 1.00 0.40 H new ATOM 779 N GLU A 53 7.176 0.354 -5.908 1.00 0.28 N ATOM 780 CA GLU A 53 8.455 -0.264 -6.271 1.00 0.30 C ATOM 781 C GLU A 53 9.208 0.607 -7.271 1.00 0.35 C ATOM 782 O GLU A 53 10.306 1.100 -6.989 1.00 0.40 O ATOM 783 CB GLU A 53 8.237 -1.647 -6.913 1.00 0.34 C ATOM 784 CG GLU A 53 7.638 -2.719 -6.017 1.00 0.37 C ATOM 785 CD GLU A 53 7.514 -4.044 -6.744 1.00 0.48 C ATOM 786 OE1 GLU A 53 8.522 -4.791 -6.820 1.00 0.51 O ATOM 787 OE2 GLU A 53 6.443 -4.346 -7.291 1.00 0.64 O ATOM 0 H GLU A 53 6.374 -0.263 -6.035 1.00 0.28 H new ATOM 0 HA GLU A 53 9.034 -0.369 -5.353 1.00 0.30 H new ATOM 0 HB2 GLU A 53 7.587 -1.523 -7.780 1.00 0.34 H new ATOM 0 HB3 GLU A 53 9.197 -2.008 -7.283 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.261 -2.845 -5.132 1.00 0.37 H new ATOM 0 HG3 GLU A 53 6.655 -2.399 -5.672 1.00 0.37 H new ATOM 794 N SER A 54 8.570 0.844 -8.399 1.00 0.39 N ATOM 795 CA SER A 54 9.150 1.575 -9.507 1.00 0.49 C ATOM 796 C SER A 54 9.460 3.042 -9.157 1.00 0.49 C ATOM 797 O SER A 54 10.403 3.633 -9.684 1.00 0.61 O ATOM 798 CB SER A 54 8.205 1.471 -10.709 1.00 0.59 C ATOM 799 OG SER A 54 6.863 1.782 -10.320 1.00 1.33 O ATOM 0 H SER A 54 7.616 0.528 -8.574 1.00 0.39 H new ATOM 0 HA SER A 54 10.113 1.126 -9.752 1.00 0.49 H new ATOM 0 HB2 SER A 54 8.530 2.153 -11.494 1.00 0.59 H new ATOM 0 HB3 SER A 54 8.245 0.464 -11.125 1.00 0.59 H new ATOM 0 HG SER A 54 6.452 0.995 -9.905 1.00 1.33 H new ATOM 805 N ARG A 55 8.704 3.604 -8.246 1.00 0.44 N ATOM 806 CA ARG A 55 8.878 4.996 -7.886 1.00 0.53 C ATOM 807 C ARG A 55 9.955 5.182 -6.812 1.00 0.54 C ATOM 808 O ARG A 55 10.660 6.185 -6.802 1.00 0.65 O ATOM 809 CB ARG A 55 7.534 5.589 -7.434 1.00 0.64 C ATOM 810 CG ARG A 55 7.571 7.048 -6.998 1.00 0.85 C ATOM 811 CD ARG A 55 6.177 7.536 -6.658 1.00 1.12 C ATOM 812 NE ARG A 55 6.171 8.895 -6.104 1.00 1.94 N ATOM 813 CZ ARG A 55 5.140 9.745 -6.170 1.00 2.78 C ATOM 814 NH1 ARG A 55 4.065 9.450 -6.897 1.00 3.05 N ATOM 815 NH2 ARG A 55 5.215 10.903 -5.535 1.00 3.79 N ATOM 0 H ARG A 55 7.962 3.122 -7.739 1.00 0.44 H new ATOM 0 HA ARG A 55 9.223 5.533 -8.769 1.00 0.53 H new ATOM 0 HB2 ARG A 55 6.821 5.491 -8.252 1.00 0.64 H new ATOM 0 HB3 ARG A 55 7.153 4.991 -6.606 1.00 0.64 H new ATOM 0 HG2 ARG A 55 8.223 7.158 -6.131 1.00 0.85 H new ATOM 0 HG3 ARG A 55 7.993 7.661 -7.794 1.00 0.85 H new ATOM 0 HD2 ARG A 55 5.559 7.511 -7.556 1.00 1.12 H new ATOM 0 HD3 ARG A 55 5.723 6.853 -5.940 1.00 1.12 H new ATOM 0 HE ARG A 55 7.017 9.216 -5.633 1.00 1.94 H new ATOM 0 HH11 ARG A 55 4.022 8.569 -7.410 1.00 3.05 H new ATOM 0 HH12 ARG A 55 3.284 10.104 -6.941 1.00 3.05 H new ATOM 0 HH21 ARG A 55 6.052 11.139 -5.003 1.00 3.79 H new ATOM 0 HH22 ARG A 55 4.436 11.560 -5.578 1.00 3.79 H new ATOM 829 N TYR A 56 10.099 4.222 -5.928 1.00 0.53 N ATOM 830 CA TYR A 56 11.022 4.391 -4.818 1.00 0.62 C ATOM 831 C TYR A 56 12.293 3.548 -4.919 1.00 0.66 C ATOM 832 O TYR A 56 13.201 3.693 -4.099 1.00 0.75 O ATOM 833 CB TYR A 56 10.294 4.236 -3.474 1.00 0.66 C ATOM 834 CG TYR A 56 9.217 5.296 -3.301 1.00 0.74 C ATOM 835 CD1 TYR A 56 9.550 6.582 -2.909 1.00 0.90 C ATOM 836 CD2 TYR A 56 7.878 5.019 -3.570 1.00 0.75 C ATOM 837 CE1 TYR A 56 8.590 7.563 -2.789 1.00 1.03 C ATOM 838 CE2 TYR A 56 6.906 5.997 -3.445 1.00 0.88 C ATOM 839 CZ TYR A 56 7.270 7.272 -3.056 1.00 1.01 C ATOM 840 OH TYR A 56 6.312 8.270 -2.939 1.00 1.17 O ATOM 0 H TYR A 56 9.602 3.331 -5.949 1.00 0.53 H new ATOM 0 HA TYR A 56 11.391 5.415 -4.878 1.00 0.62 H new ATOM 0 HB2 TYR A 56 9.844 3.245 -3.414 1.00 0.66 H new ATOM 0 HB3 TYR A 56 11.013 4.309 -2.658 1.00 0.66 H new ATOM 0 HD1 TYR A 56 10.581 6.820 -2.693 1.00 0.90 H new ATOM 0 HD2 TYR A 56 7.594 4.025 -3.881 1.00 0.75 H new ATOM 0 HE1 TYR A 56 8.872 8.560 -2.486 1.00 1.03 H new ATOM 0 HE2 TYR A 56 5.871 5.765 -3.650 1.00 0.88 H new ATOM 0 HH TYR A 56 5.591 7.964 -2.350 1.00 1.17 H new ATOM 850 N GLY A 57 12.373 2.695 -5.924 1.00 0.65 N ATOM 851 CA GLY A 57 13.590 1.931 -6.164 1.00 0.74 C ATOM 852 C GLY A 57 13.732 0.754 -5.230 1.00 0.73 C ATOM 853 O GLY A 57 14.761 0.599 -4.542 1.00 0.91 O ATOM 0 H GLY A 57 11.617 2.512 -6.584 1.00 0.65 H new ATOM 0 HA2 GLY A 57 13.593 1.575 -7.194 1.00 0.74 H new ATOM 0 HA3 GLY A 57 14.454 2.586 -6.050 1.00 0.74 H new ATOM 857 N VAL A 58 12.735 -0.082 -5.213 1.00 0.59 N ATOM 858 CA VAL A 58 12.712 -1.220 -4.340 1.00 0.61 C ATOM 859 C VAL A 58 11.816 -2.279 -4.986 1.00 0.56 C ATOM 860 O VAL A 58 11.220 -2.001 -6.025 1.00 0.62 O ATOM 861 CB VAL A 58 12.195 -0.801 -2.920 1.00 0.64 C ATOM 862 CG1 VAL A 58 10.711 -0.440 -2.917 1.00 1.15 C ATOM 863 CG2 VAL A 58 12.538 -1.817 -1.847 1.00 1.17 C ATOM 0 H VAL A 58 11.911 0.007 -5.807 1.00 0.59 H new ATOM 0 HA VAL A 58 13.712 -1.630 -4.201 1.00 0.61 H new ATOM 0 HB VAL A 58 12.736 0.110 -2.665 1.00 0.64 H new ATOM 0 HG11 VAL A 58 10.407 -0.158 -1.909 1.00 1.15 H new ATOM 0 HG12 VAL A 58 10.538 0.396 -3.595 1.00 1.15 H new ATOM 0 HG13 VAL A 58 10.127 -1.300 -3.245 1.00 1.15 H new ATOM 0 HG21 VAL A 58 12.155 -1.474 -0.886 1.00 1.17 H new ATOM 0 HG22 VAL A 58 12.085 -2.777 -2.096 1.00 1.17 H new ATOM 0 HG23 VAL A 58 13.620 -1.931 -1.787 1.00 1.17 H new ATOM 873 N SER A 59 11.714 -3.457 -4.416 1.00 0.56 N ATOM 874 CA SER A 59 10.849 -4.447 -4.959 1.00 0.58 C ATOM 875 C SER A 59 10.134 -5.188 -3.840 1.00 0.58 C ATOM 876 O SER A 59 10.704 -5.403 -2.748 1.00 0.72 O ATOM 877 CB SER A 59 11.631 -5.422 -5.855 1.00 0.76 C ATOM 878 OG SER A 59 10.749 -6.315 -6.542 1.00 1.60 O ATOM 0 H SER A 59 12.223 -3.741 -3.579 1.00 0.56 H new ATOM 0 HA SER A 59 10.100 -3.954 -5.579 1.00 0.58 H new ATOM 0 HB2 SER A 59 12.221 -4.861 -6.579 1.00 0.76 H new ATOM 0 HB3 SER A 59 12.332 -5.995 -5.248 1.00 0.76 H new ATOM 0 HG SER A 59 9.902 -5.858 -6.730 1.00 1.60 H new ATOM 884 N ILE A 60 8.901 -5.549 -4.099 1.00 0.50 N ATOM 885 CA ILE A 60 8.077 -6.284 -3.169 1.00 0.54 C ATOM 886 C ILE A 60 7.530 -7.503 -3.897 1.00 0.51 C ATOM 887 O ILE A 60 6.912 -7.358 -4.949 1.00 0.54 O ATOM 888 CB ILE A 60 6.873 -5.430 -2.663 1.00 0.63 C ATOM 889 CG1 ILE A 60 7.360 -4.145 -1.980 1.00 0.77 C ATOM 890 CG2 ILE A 60 5.998 -6.246 -1.705 1.00 0.71 C ATOM 891 CD1 ILE A 60 6.242 -3.234 -1.529 1.00 0.95 C ATOM 0 H ILE A 60 8.432 -5.336 -4.980 1.00 0.50 H new ATOM 0 HA ILE A 60 8.683 -6.560 -2.306 1.00 0.54 H new ATOM 0 HB ILE A 60 6.272 -5.149 -3.528 1.00 0.63 H new ATOM 0 HG12 ILE A 60 7.970 -4.412 -1.117 1.00 0.77 H new ATOM 0 HG13 ILE A 60 8.005 -3.600 -2.669 1.00 0.77 H new ATOM 0 HG21 ILE A 60 5.164 -5.633 -1.363 1.00 0.71 H new ATOM 0 HG22 ILE A 60 5.614 -7.125 -2.222 1.00 0.71 H new ATOM 0 HG23 ILE A 60 6.593 -6.560 -0.847 1.00 0.71 H new ATOM 0 HD11 ILE A 60 6.664 -2.347 -1.056 1.00 0.95 H new ATOM 0 HD12 ILE A 60 5.645 -2.936 -2.391 1.00 0.95 H new ATOM 0 HD13 ILE A 60 5.609 -3.761 -0.814 1.00 0.95 H new ATOM 903 N PRO A 61 7.784 -8.712 -3.383 1.00 0.54 N ATOM 904 CA PRO A 61 7.281 -9.949 -3.990 1.00 0.59 C ATOM 905 C PRO A 61 5.744 -9.977 -4.052 1.00 0.59 C ATOM 906 O PRO A 61 5.056 -9.539 -3.107 1.00 0.52 O ATOM 907 CB PRO A 61 7.808 -11.051 -3.064 1.00 0.67 C ATOM 908 CG PRO A 61 8.951 -10.424 -2.338 1.00 0.69 C ATOM 909 CD PRO A 61 8.594 -8.979 -2.184 1.00 0.61 C ATOM 0 HA PRO A 61 7.611 -10.061 -5.023 1.00 0.59 H new ATOM 0 HB2 PRO A 61 7.037 -11.388 -2.372 1.00 0.67 H new ATOM 0 HB3 PRO A 61 8.131 -11.924 -3.631 1.00 0.67 H new ATOM 0 HG2 PRO A 61 9.103 -10.895 -1.367 1.00 0.69 H new ATOM 0 HG3 PRO A 61 9.880 -10.540 -2.897 1.00 0.69 H new ATOM 0 HD2 PRO A 61 8.032 -8.797 -1.268 1.00 0.61 H new ATOM 0 HD3 PRO A 61 9.480 -8.346 -2.146 1.00 0.61 H new ATOM 917 N ASP A 62 5.212 -10.492 -5.147 1.00 0.75 N ATOM 918 CA ASP A 62 3.760 -10.540 -5.376 1.00 0.87 C ATOM 919 C ASP A 62 3.046 -11.365 -4.302 1.00 0.73 C ATOM 920 O ASP A 62 1.956 -11.010 -3.868 1.00 0.69 O ATOM 921 CB ASP A 62 3.405 -11.064 -6.793 1.00 1.19 C ATOM 922 CG ASP A 62 3.721 -12.530 -7.027 1.00 1.52 C ATOM 923 OD1 ASP A 62 4.868 -12.857 -7.415 1.00 1.63 O ATOM 924 OD2 ASP A 62 2.830 -13.387 -6.820 1.00 2.19 O ATOM 0 H ASP A 62 5.764 -10.890 -5.907 1.00 0.75 H new ATOM 0 HA ASP A 62 3.404 -9.512 -5.308 1.00 0.87 H new ATOM 0 HB2 ASP A 62 2.341 -10.904 -6.968 1.00 1.19 H new ATOM 0 HB3 ASP A 62 3.943 -10.469 -7.531 1.00 1.19 H new ATOM 929 N ASP A 63 3.708 -12.418 -3.819 1.00 0.74 N ATOM 930 CA ASP A 63 3.139 -13.299 -2.774 1.00 0.75 C ATOM 931 C ASP A 63 3.006 -12.572 -1.453 1.00 0.61 C ATOM 932 O ASP A 63 2.284 -13.002 -0.568 1.00 0.75 O ATOM 933 CB ASP A 63 3.989 -14.561 -2.554 1.00 0.88 C ATOM 934 CG ASP A 63 3.983 -15.504 -3.723 1.00 1.60 C ATOM 935 OD1 ASP A 63 2.973 -16.208 -3.935 1.00 1.99 O ATOM 936 OD2 ASP A 63 4.981 -15.556 -4.458 1.00 2.48 O ATOM 0 H ASP A 63 4.641 -12.689 -4.130 1.00 0.74 H new ATOM 0 HA ASP A 63 2.153 -13.594 -3.134 1.00 0.75 H new ATOM 0 HB2 ASP A 63 5.016 -14.264 -2.343 1.00 0.88 H new ATOM 0 HB3 ASP A 63 3.622 -15.087 -1.673 1.00 0.88 H new ATOM 941 N VAL A 64 3.751 -11.507 -1.321 1.00 0.48 N ATOM 942 CA VAL A 64 3.737 -10.669 -0.145 1.00 0.42 C ATOM 943 C VAL A 64 2.626 -9.634 -0.276 1.00 0.34 C ATOM 944 O VAL A 64 1.792 -9.481 0.609 1.00 0.39 O ATOM 945 CB VAL A 64 5.087 -9.949 -0.009 1.00 0.44 C ATOM 946 CG1 VAL A 64 5.098 -9.039 1.205 1.00 0.53 C ATOM 947 CG2 VAL A 64 6.216 -10.954 0.087 1.00 0.56 C ATOM 0 H VAL A 64 4.399 -11.189 -2.041 1.00 0.48 H new ATOM 0 HA VAL A 64 3.564 -11.286 0.737 1.00 0.42 H new ATOM 0 HB VAL A 64 5.232 -9.337 -0.899 1.00 0.44 H new ATOM 0 HG11 VAL A 64 6.065 -8.541 1.278 1.00 0.53 H new ATOM 0 HG12 VAL A 64 4.312 -8.291 1.106 1.00 0.53 H new ATOM 0 HG13 VAL A 64 4.925 -9.630 2.104 1.00 0.53 H new ATOM 0 HG21 VAL A 64 7.165 -10.427 0.183 1.00 0.56 H new ATOM 0 HG22 VAL A 64 6.064 -11.590 0.959 1.00 0.56 H new ATOM 0 HG23 VAL A 64 6.232 -11.570 -0.812 1.00 0.56 H new ATOM 957 N ALA A 65 2.649 -8.912 -1.387 1.00 0.34 N ATOM 958 CA ALA A 65 1.675 -7.865 -1.652 1.00 0.39 C ATOM 959 C ALA A 65 0.256 -8.434 -1.702 1.00 0.43 C ATOM 960 O ALA A 65 -0.670 -7.834 -1.192 1.00 0.51 O ATOM 961 CB ALA A 65 2.027 -7.130 -2.931 1.00 0.47 C ATOM 0 H ALA A 65 3.340 -9.035 -2.127 1.00 0.34 H new ATOM 0 HA ALA A 65 1.706 -7.147 -0.832 1.00 0.39 H new ATOM 0 HB1 ALA A 65 1.289 -6.349 -3.117 1.00 0.47 H new ATOM 0 HB2 ALA A 65 3.015 -6.680 -2.832 1.00 0.47 H new ATOM 0 HB3 ALA A 65 2.030 -7.832 -3.765 1.00 0.47 H new ATOM 967 N GLY A 66 0.111 -9.623 -2.255 1.00 0.49 N ATOM 968 CA GLY A 66 -1.189 -10.269 -2.305 1.00 0.62 C ATOM 969 C GLY A 66 -1.456 -11.098 -1.058 1.00 0.64 C ATOM 970 O GLY A 66 -2.117 -12.133 -1.112 1.00 0.97 O ATOM 0 H GLY A 66 0.871 -10.159 -2.674 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -1.967 -9.513 -2.412 1.00 0.62 H new ATOM 0 HA3 GLY A 66 -1.243 -10.909 -3.186 1.00 0.62 H new ATOM 974 N ARG A 67 -0.929 -10.634 0.051 1.00 0.53 N ATOM 975 CA ARG A 67 -1.038 -11.311 1.333 1.00 0.60 C ATOM 976 C ARG A 67 -1.340 -10.307 2.448 1.00 0.51 C ATOM 977 O ARG A 67 -1.812 -10.684 3.539 1.00 0.72 O ATOM 978 CB ARG A 67 0.282 -12.017 1.601 1.00 0.77 C ATOM 979 CG ARG A 67 0.436 -12.707 2.937 1.00 1.22 C ATOM 980 CD ARG A 67 1.830 -13.255 3.028 1.00 1.33 C ATOM 981 NE ARG A 67 2.140 -13.888 4.298 1.00 2.02 N ATOM 982 CZ ARG A 67 3.122 -14.783 4.450 1.00 2.59 C ATOM 983 NH1 ARG A 67 3.639 -15.384 3.374 1.00 2.75 N ATOM 984 NH2 ARG A 67 3.532 -15.124 5.655 1.00 3.52 N ATOM 0 H ARG A 67 -0.403 -9.761 0.094 1.00 0.53 H new ATOM 0 HA ARG A 67 -1.855 -12.032 1.308 1.00 0.60 H new ATOM 0 HB2 ARG A 67 0.433 -12.760 0.818 1.00 0.77 H new ATOM 0 HB3 ARG A 67 1.083 -11.284 1.505 1.00 0.77 H new ATOM 0 HG2 ARG A 67 0.250 -12.005 3.750 1.00 1.22 H new ATOM 0 HG3 ARG A 67 -0.295 -13.510 3.036 1.00 1.22 H new ATOM 0 HD2 ARG A 67 1.976 -13.981 2.228 1.00 1.33 H new ATOM 0 HD3 ARG A 67 2.539 -12.445 2.856 1.00 1.33 H new ATOM 0 HE ARG A 67 1.581 -13.638 5.114 1.00 2.02 H new ATOM 0 HH11 ARG A 67 3.284 -15.159 2.444 1.00 2.75 H new ATOM 0 HH12 ARG A 67 4.388 -16.068 3.482 1.00 2.75 H new ATOM 0 HH21 ARG A 67 3.100 -14.705 6.478 1.00 3.52 H new ATOM 0 HH22 ARG A 67 4.281 -15.807 5.764 1.00 3.52 H new ATOM 998 N VAL A 68 -1.063 -9.036 2.193 1.00 0.37 N ATOM 999 CA VAL A 68 -1.288 -8.011 3.189 1.00 0.35 C ATOM 1000 C VAL A 68 -2.772 -7.801 3.435 1.00 0.37 C ATOM 1001 O VAL A 68 -3.575 -7.708 2.505 1.00 0.50 O ATOM 1002 CB VAL A 68 -0.552 -6.677 2.874 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.946 -6.898 2.918 1.00 0.38 C ATOM 1004 CG2 VAL A 68 -0.950 -6.103 1.525 1.00 0.34 C ATOM 0 H VAL A 68 -0.684 -8.696 1.309 1.00 0.37 H new ATOM 0 HA VAL A 68 -0.845 -8.376 4.116 1.00 0.35 H new ATOM 0 HB VAL A 68 -0.846 -5.953 3.634 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.459 -5.962 2.697 1.00 0.38 H new ATOM 0 HG12 VAL A 68 1.234 -7.244 3.911 1.00 0.38 H new ATOM 0 HG13 VAL A 68 1.225 -7.648 2.178 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.409 -5.173 1.352 1.00 0.34 H new ATOM 0 HG22 VAL A 68 -0.705 -6.817 0.739 1.00 0.34 H new ATOM 0 HG23 VAL A 68 -2.022 -5.907 1.515 1.00 0.34 H new ATOM 1014 N ASP A 69 -3.120 -7.794 4.688 1.00 0.37 N ATOM 1015 CA ASP A 69 -4.498 -7.713 5.124 1.00 0.43 C ATOM 1016 C ASP A 69 -4.913 -6.272 5.382 1.00 0.32 C ATOM 1017 O ASP A 69 -6.039 -5.863 5.072 1.00 0.36 O ATOM 1018 CB ASP A 69 -4.643 -8.567 6.376 1.00 0.60 C ATOM 1019 CG ASP A 69 -5.952 -8.431 7.081 1.00 1.18 C ATOM 1020 OD1 ASP A 69 -6.992 -8.813 6.518 1.00 1.45 O ATOM 1021 OD2 ASP A 69 -5.947 -8.031 8.258 1.00 1.88 O ATOM 0 H ASP A 69 -2.449 -7.845 5.455 1.00 0.37 H new ATOM 0 HA ASP A 69 -5.159 -8.087 4.342 1.00 0.43 H new ATOM 0 HB2 ASP A 69 -4.500 -9.613 6.103 1.00 0.60 H new ATOM 0 HB3 ASP A 69 -3.844 -8.307 7.070 1.00 0.60 H new ATOM 1026 N THR A 70 -4.010 -5.511 5.934 1.00 0.27 N ATOM 1027 CA THR A 70 -4.255 -4.122 6.226 1.00 0.26 C ATOM 1028 C THR A 70 -3.155 -3.239 5.582 1.00 0.24 C ATOM 1029 O THR A 70 -2.029 -3.713 5.354 1.00 0.26 O ATOM 1030 CB THR A 70 -4.324 -3.910 7.764 1.00 0.35 C ATOM 1031 OG1 THR A 70 -3.136 -4.455 8.391 1.00 0.43 O ATOM 1032 CG2 THR A 70 -5.573 -4.587 8.357 1.00 0.39 C ATOM 0 H THR A 70 -3.079 -5.836 6.196 1.00 0.27 H new ATOM 0 HA THR A 70 -5.213 -3.825 5.800 1.00 0.26 H new ATOM 0 HB THR A 70 -4.383 -2.839 7.957 1.00 0.35 H new ATOM 0 HG1 THR A 70 -2.927 -5.327 7.994 1.00 0.43 H new ATOM 0 HG21 THR A 70 -5.598 -4.424 9.434 1.00 0.39 H new ATOM 0 HG22 THR A 70 -6.468 -4.160 7.904 1.00 0.39 H new ATOM 0 HG23 THR A 70 -5.539 -5.657 8.153 1.00 0.39 H new ATOM 1040 N PRO A 71 -3.459 -1.945 5.261 1.00 0.25 N ATOM 1041 CA PRO A 71 -2.507 -1.016 4.609 1.00 0.28 C ATOM 1042 C PRO A 71 -1.286 -0.749 5.467 1.00 0.27 C ATOM 1043 O PRO A 71 -0.242 -0.340 4.970 1.00 0.30 O ATOM 1044 CB PRO A 71 -3.319 0.270 4.424 1.00 0.34 C ATOM 1045 CG PRO A 71 -4.730 -0.172 4.494 1.00 0.34 C ATOM 1046 CD PRO A 71 -4.750 -1.296 5.483 1.00 0.28 C ATOM 0 HA PRO A 71 -2.120 -1.425 3.676 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -3.092 0.999 5.202 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -3.098 0.745 3.468 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -5.381 0.642 4.813 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -5.087 -0.502 3.518 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -4.850 -0.933 6.506 1.00 0.28 H new ATOM 0 HD3 PRO A 71 -5.582 -1.978 5.304 1.00 0.28 H new ATOM 1054 N ARG A 72 -1.428 -1.002 6.755 1.00 0.28 N ATOM 1055 CA ARG A 72 -0.346 -0.884 7.714 1.00 0.35 C ATOM 1056 C ARG A 72 0.811 -1.801 7.312 1.00 0.30 C ATOM 1057 O ARG A 72 1.981 -1.426 7.395 1.00 0.34 O ATOM 1058 CB ARG A 72 -0.879 -1.235 9.103 1.00 0.48 C ATOM 1059 CG ARG A 72 0.162 -1.330 10.206 1.00 0.98 C ATOM 1060 CD ARG A 72 -0.515 -1.458 11.553 1.00 0.89 C ATOM 1061 NE ARG A 72 -1.226 -0.223 11.895 1.00 0.94 N ATOM 1062 CZ ARG A 72 -2.502 -0.121 12.295 1.00 1.42 C ATOM 1063 NH1 ARG A 72 -3.318 -1.163 12.259 1.00 2.05 N ATOM 1064 NH2 ARG A 72 -2.974 1.054 12.674 1.00 1.73 N ATOM 0 H ARG A 72 -2.311 -1.299 7.170 1.00 0.28 H new ATOM 0 HA ARG A 72 0.034 0.138 7.731 1.00 0.35 H new ATOM 0 HB2 ARG A 72 -1.616 -0.485 9.389 1.00 0.48 H new ATOM 0 HB3 ARG A 72 -1.403 -2.189 9.040 1.00 0.48 H new ATOM 0 HG2 ARG A 72 0.809 -2.190 10.033 1.00 0.98 H new ATOM 0 HG3 ARG A 72 0.798 -0.445 10.193 1.00 0.98 H new ATOM 0 HD2 ARG A 72 -1.215 -2.294 11.536 1.00 0.89 H new ATOM 0 HD3 ARG A 72 0.228 -1.680 12.319 1.00 0.89 H new ATOM 0 HE ARG A 72 -0.697 0.646 11.821 1.00 0.94 H new ATOM 0 HH11 ARG A 72 -2.980 -2.064 11.922 1.00 2.05 H new ATOM 0 HH12 ARG A 72 -4.285 -1.064 12.568 1.00 2.05 H new ATOM 0 HH21 ARG A 72 -2.369 1.875 12.661 1.00 1.73 H new ATOM 0 HH22 ARG A 72 -3.943 1.140 12.980 1.00 1.73 H new ATOM 1078 N GLU A 73 0.455 -2.973 6.821 1.00 0.27 N ATOM 1079 CA GLU A 73 1.412 -3.964 6.364 1.00 0.29 C ATOM 1080 C GLU A 73 2.025 -3.525 5.043 1.00 0.25 C ATOM 1081 O GLU A 73 3.215 -3.632 4.847 1.00 0.27 O ATOM 1082 CB GLU A 73 0.706 -5.284 6.179 1.00 0.37 C ATOM 1083 CG GLU A 73 0.095 -5.832 7.440 1.00 0.55 C ATOM 1084 CD GLU A 73 -0.820 -6.971 7.152 1.00 1.45 C ATOM 1085 OE1 GLU A 73 -0.346 -8.070 6.809 1.00 1.78 O ATOM 1086 OE2 GLU A 73 -2.044 -6.791 7.256 1.00 2.23 O ATOM 0 H GLU A 73 -0.517 -3.267 6.727 1.00 0.27 H new ATOM 0 HA GLU A 73 2.205 -4.069 7.104 1.00 0.29 H new ATOM 0 HB2 GLU A 73 -0.077 -5.164 5.430 1.00 0.37 H new ATOM 0 HB3 GLU A 73 1.415 -6.012 5.785 1.00 0.37 H new ATOM 0 HG2 GLU A 73 0.885 -6.160 8.116 1.00 0.55 H new ATOM 0 HG3 GLU A 73 -0.455 -5.042 7.952 1.00 0.55 H new ATOM 1093 N LEU A 74 1.183 -2.999 4.159 1.00 0.24 N ATOM 1094 CA LEU A 74 1.612 -2.513 2.836 1.00 0.24 C ATOM 1095 C LEU A 74 2.657 -1.382 3.042 1.00 0.24 C ATOM 1096 O LEU A 74 3.684 -1.329 2.362 1.00 0.27 O ATOM 1097 CB LEU A 74 0.356 -1.999 2.074 1.00 0.27 C ATOM 1098 CG LEU A 74 0.379 -1.993 0.520 1.00 0.27 C ATOM 1099 CD1 LEU A 74 -0.961 -1.524 -0.013 1.00 1.17 C ATOM 1100 CD2 LEU A 74 1.493 -1.122 -0.046 1.00 1.14 C ATOM 0 H LEU A 74 0.183 -2.894 4.332 1.00 0.24 H new ATOM 0 HA LEU A 74 2.075 -3.305 2.248 1.00 0.24 H new ATOM 0 HB2 LEU A 74 -0.494 -2.604 2.390 1.00 0.27 H new ATOM 0 HB3 LEU A 74 0.162 -0.979 2.406 1.00 0.27 H new ATOM 0 HG LEU A 74 0.574 -3.016 0.197 1.00 0.27 H new ATOM 0 HD11 LEU A 74 -0.939 -1.522 -1.103 1.00 1.17 H new ATOM 0 HD12 LEU A 74 -1.746 -2.197 0.333 1.00 1.17 H new ATOM 0 HD13 LEU A 74 -1.163 -0.515 0.348 1.00 1.17 H new ATOM 0 HD21 LEU A 74 1.463 -1.154 -1.135 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.358 -0.094 0.290 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.457 -1.493 0.301 1.00 1.14 H new ATOM 1112 N LEU A 75 2.389 -0.519 4.019 1.00 0.23 N ATOM 1113 CA LEU A 75 3.301 0.560 4.392 1.00 0.25 C ATOM 1114 C LEU A 75 4.605 -0.031 4.929 1.00 0.25 C ATOM 1115 O LEU A 75 5.699 0.396 4.544 1.00 0.26 O ATOM 1116 CB LEU A 75 2.648 1.460 5.455 1.00 0.28 C ATOM 1117 CG LEU A 75 3.455 2.679 5.919 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.722 3.625 4.760 1.00 0.60 C ATOM 1119 CD2 LEU A 75 2.728 3.400 7.042 1.00 0.59 C ATOM 0 H LEU A 75 1.534 -0.548 4.574 1.00 0.23 H new ATOM 0 HA LEU A 75 3.520 1.164 3.512 1.00 0.25 H new ATOM 0 HB2 LEU A 75 1.695 1.813 5.062 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.425 0.847 6.329 1.00 0.28 H new ATOM 0 HG LEU A 75 4.416 2.329 6.297 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.296 4.482 5.114 1.00 0.60 H new ATOM 0 HD12 LEU A 75 4.288 3.104 3.988 1.00 0.60 H new ATOM 0 HD13 LEU A 75 2.774 3.969 4.346 1.00 0.60 H new ATOM 0 HD21 LEU A 75 3.314 4.262 7.360 1.00 0.59 H new ATOM 0 HD22 LEU A 75 1.753 3.734 6.688 1.00 0.59 H new ATOM 0 HD23 LEU A 75 2.595 2.721 7.884 1.00 0.59 H new ATOM 1131 N ASP A 76 4.465 -1.034 5.792 1.00 0.27 N ATOM 1132 CA ASP A 76 5.603 -1.760 6.383 1.00 0.31 C ATOM 1133 C ASP A 76 6.498 -2.372 5.320 1.00 0.29 C ATOM 1134 O ASP A 76 7.727 -2.316 5.435 1.00 0.32 O ATOM 1135 CB ASP A 76 5.111 -2.851 7.342 1.00 0.39 C ATOM 1136 CG ASP A 76 6.205 -3.817 7.759 1.00 0.58 C ATOM 1137 OD1 ASP A 76 6.946 -3.532 8.724 1.00 0.69 O ATOM 1138 OD2 ASP A 76 6.331 -4.890 7.138 1.00 0.89 O ATOM 0 H ASP A 76 3.556 -1.373 6.107 1.00 0.27 H new ATOM 0 HA ASP A 76 6.193 -1.032 6.940 1.00 0.31 H new ATOM 0 HB2 ASP A 76 4.691 -2.382 8.232 1.00 0.39 H new ATOM 0 HB3 ASP A 76 4.305 -3.409 6.865 1.00 0.39 H new ATOM 1143 N LEU A 77 5.877 -2.933 4.282 1.00 0.30 N ATOM 1144 CA LEU A 77 6.594 -3.546 3.158 1.00 0.33 C ATOM 1145 C LEU A 77 7.561 -2.550 2.556 1.00 0.33 C ATOM 1146 O LEU A 77 8.695 -2.882 2.235 1.00 0.39 O ATOM 1147 CB LEU A 77 5.624 -4.008 2.060 1.00 0.40 C ATOM 1148 CG LEU A 77 4.515 -4.969 2.465 1.00 0.56 C ATOM 1149 CD1 LEU A 77 3.702 -5.376 1.248 1.00 0.91 C ATOM 1150 CD2 LEU A 77 5.078 -6.185 3.180 1.00 1.06 C ATOM 0 H LEU A 77 4.862 -2.976 4.195 1.00 0.30 H new ATOM 0 HA LEU A 77 7.131 -4.412 3.545 1.00 0.33 H new ATOM 0 HB2 LEU A 77 5.160 -3.122 1.625 1.00 0.40 H new ATOM 0 HB3 LEU A 77 6.209 -4.481 1.271 1.00 0.40 H new ATOM 0 HG LEU A 77 3.854 -4.457 3.164 1.00 0.56 H new ATOM 0 HD11 LEU A 77 2.912 -6.063 1.551 1.00 0.91 H new ATOM 0 HD12 LEU A 77 3.258 -4.490 0.794 1.00 0.91 H new ATOM 0 HD13 LEU A 77 4.352 -5.867 0.524 1.00 0.91 H new ATOM 0 HD21 LEU A 77 4.263 -6.854 3.457 1.00 1.06 H new ATOM 0 HD22 LEU A 77 5.768 -6.709 2.519 1.00 1.06 H new ATOM 0 HD23 LEU A 77 5.607 -5.866 4.078 1.00 1.06 H new ATOM 1162 N ILE A 78 7.101 -1.330 2.420 1.00 0.32 N ATOM 1163 CA ILE A 78 7.903 -0.254 1.897 1.00 0.39 C ATOM 1164 C ILE A 78 8.931 0.176 2.937 1.00 0.40 C ATOM 1165 O ILE A 78 10.126 0.217 2.653 1.00 0.44 O ATOM 1166 CB ILE A 78 7.006 0.954 1.512 1.00 0.46 C ATOM 1167 CG1 ILE A 78 6.032 0.570 0.393 1.00 0.47 C ATOM 1168 CG2 ILE A 78 7.849 2.155 1.096 1.00 0.62 C ATOM 1169 CD1 ILE A 78 6.712 0.176 -0.907 1.00 0.59 C ATOM 0 H ILE A 78 6.152 -1.055 2.672 1.00 0.32 H new ATOM 0 HA ILE A 78 8.419 -0.605 1.003 1.00 0.39 H new ATOM 0 HB ILE A 78 6.429 1.235 2.393 1.00 0.46 H new ATOM 0 HG12 ILE A 78 5.412 -0.259 0.733 1.00 0.47 H new ATOM 0 HG13 ILE A 78 5.364 1.410 0.202 1.00 0.47 H new ATOM 0 HG21 ILE A 78 7.194 2.985 0.832 1.00 0.62 H new ATOM 0 HG22 ILE A 78 8.494 2.451 1.923 1.00 0.62 H new ATOM 0 HG23 ILE A 78 8.462 1.889 0.235 1.00 0.62 H new ATOM 0 HD11 ILE A 78 5.957 -0.082 -1.649 1.00 0.59 H new ATOM 0 HD12 ILE A 78 7.310 1.011 -1.273 1.00 0.59 H new ATOM 0 HD13 ILE A 78 7.358 -0.684 -0.733 1.00 0.59 H new ATOM 1181 N ASN A 79 8.453 0.499 4.135 1.00 0.41 N ATOM 1182 CA ASN A 79 9.302 0.981 5.234 1.00 0.50 C ATOM 1183 C ASN A 79 10.482 0.062 5.505 1.00 0.42 C ATOM 1184 O ASN A 79 11.627 0.516 5.523 1.00 0.44 O ATOM 1185 CB ASN A 79 8.496 1.192 6.532 1.00 0.66 C ATOM 1186 CG ASN A 79 7.478 2.330 6.469 1.00 0.81 C ATOM 1187 OD1 ASN A 79 6.443 2.274 7.101 1.00 1.45 O ATOM 1188 ND2 ASN A 79 7.774 3.377 5.738 1.00 0.50 N ATOM 0 H ASN A 79 7.464 0.436 4.378 1.00 0.41 H new ATOM 0 HA ASN A 79 9.694 1.943 4.905 1.00 0.50 H new ATOM 0 HB2 ASN A 79 7.973 0.267 6.774 1.00 0.66 H new ATOM 0 HB3 ASN A 79 9.191 1.388 7.348 1.00 0.66 H new ATOM 0 HD21 ASN A 79 7.129 4.166 5.692 1.00 0.50 H new ATOM 0 HD22 ASN A 79 8.649 3.403 5.215 1.00 0.50 H new ATOM 1195 N GLY A 80 10.211 -1.216 5.674 1.00 0.40 N ATOM 1196 CA GLY A 80 11.251 -2.178 5.968 1.00 0.43 C ATOM 1197 C GLY A 80 12.215 -2.350 4.820 1.00 0.41 C ATOM 1198 O GLY A 80 13.425 -2.333 5.012 1.00 0.48 O ATOM 0 H GLY A 80 9.274 -1.613 5.612 1.00 0.40 H new ATOM 0 HA2 GLY A 80 11.799 -1.858 6.854 1.00 0.43 H new ATOM 0 HA3 GLY A 80 10.796 -3.140 6.205 1.00 0.43 H new ATOM 1202 N ALA A 81 11.682 -2.449 3.619 1.00 0.37 N ATOM 1203 CA ALA A 81 12.495 -2.658 2.434 1.00 0.43 C ATOM 1204 C ALA A 81 13.384 -1.454 2.141 1.00 0.44 C ATOM 1205 O ALA A 81 14.540 -1.604 1.738 1.00 0.56 O ATOM 1206 CB ALA A 81 11.619 -2.964 1.250 1.00 0.48 C ATOM 0 H ALA A 81 10.681 -2.388 3.435 1.00 0.37 H new ATOM 0 HA ALA A 81 13.148 -3.510 2.624 1.00 0.43 H new ATOM 0 HB1 ALA A 81 12.240 -3.119 0.368 1.00 0.48 H new ATOM 0 HB2 ALA A 81 11.040 -3.866 1.449 1.00 0.48 H new ATOM 0 HB3 ALA A 81 10.940 -2.129 1.074 1.00 0.48 H new ATOM 1212 N LEU A 82 12.856 -0.261 2.361 1.00 0.38 N ATOM 1213 CA LEU A 82 13.621 0.953 2.138 1.00 0.44 C ATOM 1214 C LEU A 82 14.612 1.213 3.255 1.00 0.52 C ATOM 1215 O LEU A 82 15.523 2.008 3.103 1.00 0.72 O ATOM 1216 CB LEU A 82 12.732 2.174 1.891 1.00 0.42 C ATOM 1217 CG LEU A 82 11.936 2.178 0.581 1.00 0.46 C ATOM 1218 CD1 LEU A 82 11.107 3.438 0.477 1.00 0.53 C ATOM 1219 CD2 LEU A 82 12.868 2.069 -0.618 1.00 0.62 C ATOM 0 H LEU A 82 11.904 -0.108 2.693 1.00 0.38 H new ATOM 0 HA LEU A 82 14.190 0.786 1.224 1.00 0.44 H new ATOM 0 HB2 LEU A 82 12.029 2.259 2.719 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.360 3.065 1.913 1.00 0.42 H new ATOM 0 HG LEU A 82 11.272 1.314 0.583 1.00 0.46 H new ATOM 0 HD11 LEU A 82 10.546 3.429 -0.458 1.00 0.53 H new ATOM 0 HD12 LEU A 82 10.413 3.487 1.316 1.00 0.53 H new ATOM 0 HD13 LEU A 82 11.763 4.308 0.498 1.00 0.53 H new ATOM 0 HD21 LEU A 82 12.281 2.074 -1.537 1.00 0.62 H new ATOM 0 HD22 LEU A 82 13.556 2.915 -0.622 1.00 0.62 H new ATOM 0 HD23 LEU A 82 13.435 1.140 -0.555 1.00 0.62 H new ATOM 1231 N ALA A 83 14.459 0.521 4.372 1.00 0.50 N ATOM 1232 CA ALA A 83 15.425 0.622 5.461 1.00 0.66 C ATOM 1233 C ALA A 83 16.691 -0.136 5.073 1.00 0.79 C ATOM 1234 O ALA A 83 17.772 0.070 5.635 1.00 0.93 O ATOM 1235 CB ALA A 83 14.844 0.073 6.754 1.00 0.80 C ATOM 0 H ALA A 83 13.681 -0.114 4.551 1.00 0.50 H new ATOM 0 HA ALA A 83 15.668 1.671 5.631 1.00 0.66 H new ATOM 0 HB1 ALA A 83 15.583 0.159 7.551 1.00 0.80 H new ATOM 0 HB2 ALA A 83 13.953 0.641 7.022 1.00 0.80 H new ATOM 0 HB3 ALA A 83 14.579 -0.975 6.617 1.00 0.80 H new ATOM 1241 N GLU A 84 16.545 -0.997 4.087 1.00 0.89 N ATOM 1242 CA GLU A 84 17.636 -1.773 3.551 1.00 1.15 C ATOM 1243 C GLU A 84 18.113 -1.133 2.252 1.00 1.27 C ATOM 1244 O GLU A 84 18.988 -1.670 1.561 1.00 1.57 O ATOM 1245 CB GLU A 84 17.158 -3.190 3.255 1.00 1.28 C ATOM 1246 CG GLU A 84 16.490 -3.869 4.427 1.00 1.66 C ATOM 1247 CD GLU A 84 16.084 -5.275 4.112 1.00 2.21 C ATOM 1248 OE1 GLU A 84 15.007 -5.473 3.499 1.00 2.70 O ATOM 1249 OE2 GLU A 84 16.822 -6.207 4.451 1.00 2.70 O ATOM 0 H GLU A 84 15.651 -1.177 3.631 1.00 0.89 H new ATOM 0 HA GLU A 84 18.450 -1.803 4.276 1.00 1.15 H new ATOM 0 HB2 GLU A 84 16.459 -3.160 2.419 1.00 1.28 H new ATOM 0 HB3 GLU A 84 18.010 -3.791 2.937 1.00 1.28 H new ATOM 0 HG2 GLU A 84 17.170 -3.872 5.279 1.00 1.66 H new ATOM 0 HG3 GLU A 84 15.611 -3.297 4.723 1.00 1.66 H new ATOM 1256 N ALA A 85 17.541 0.010 1.927 1.00 1.28 N ATOM 1257 CA ALA A 85 17.830 0.685 0.692 1.00 1.63 C ATOM 1258 C ALA A 85 18.579 1.973 0.937 1.00 2.15 C ATOM 1259 O ALA A 85 18.360 2.654 1.949 1.00 2.73 O ATOM 1260 CB ALA A 85 16.549 0.960 -0.080 1.00 2.17 C ATOM 0 H ALA A 85 16.863 0.492 2.518 1.00 1.28 H new ATOM 0 HA ALA A 85 18.465 0.030 0.095 1.00 1.63 H new ATOM 0 HB1 ALA A 85 16.789 1.472 -1.012 1.00 2.17 H new ATOM 0 HB2 ALA A 85 16.048 0.018 -0.302 1.00 2.17 H new ATOM 0 HB3 ALA A 85 15.890 1.588 0.520 1.00 2.17 H new ATOM 1266 N ALA A 86 19.456 2.283 0.025 1.00 2.73 N ATOM 1267 CA ALA A 86 20.245 3.473 0.043 1.00 3.78 C ATOM 1268 C ALA A 86 20.679 3.746 -1.378 1.00 4.48 C ATOM 1269 O ALA A 86 21.785 3.322 -1.772 1.00 5.02 O ATOM 1270 CB ALA A 86 21.457 3.312 0.955 1.00 4.48 C ATOM 1271 OXT ALA A 86 19.890 4.323 -2.134 1.00 4.86 O ATOM 0 H ALA A 86 19.645 1.688 -0.781 1.00 2.73 H new ATOM 0 HA ALA A 86 19.663 4.307 0.434 1.00 3.78 H new ATOM 0 HB1 ALA A 86 22.041 4.233 0.950 1.00 4.48 H new ATOM 0 HB2 ALA A 86 21.123 3.099 1.970 1.00 4.48 H new ATOM 0 HB3 ALA A 86 22.075 2.489 0.597 1.00 4.48 H new TER 1277 ALA A 86 HETATM 1278 O23 PNS A 87 -5.780 -12.986 -2.659 1.00 2.17 O HETATM 1279 P24 PNS A 87 -6.605 -11.748 -2.179 1.00 1.23 P HETATM 1280 O26 PNS A 87 -7.581 -11.068 -3.175 1.00 1.76 O HETATM 1281 O27 PNS A 87 -7.363 -12.133 -0.917 1.00 1.70 O HETATM 1282 C28 PNS A 87 -8.415 -13.135 -1.048 1.00 1.96 C HETATM 1283 C29 PNS A 87 -9.036 -13.452 0.325 1.00 2.85 C HETATM 1284 C30 PNS A 87 -9.976 -14.626 0.140 1.00 3.58 C HETATM 1285 C31 PNS A 87 -7.929 -13.854 1.306 1.00 3.58 C HETATM 1286 C32 PNS A 87 -9.812 -12.202 0.927 1.00 3.30 C HETATM 1287 O33 PNS A 87 -10.133 -12.408 2.324 1.00 4.16 O HETATM 1288 C34 PNS A 87 -11.123 -11.905 0.164 1.00 3.69 C HETATM 1289 O35 PNS A 87 -11.214 -11.933 -1.078 1.00 4.13 O HETATM 1290 N36 PNS A 87 -12.134 -11.611 0.944 1.00 4.09 N HETATM 1291 C37 PNS A 87 -13.474 -11.298 0.496 1.00 4.91 C HETATM 1292 C38 PNS A 87 -14.512 -11.667 1.544 1.00 5.50 C HETATM 1293 C39 PNS A 87 -15.965 -11.474 1.105 1.00 6.09 C HETATM 1294 O40 PNS A 87 -16.894 -11.793 1.850 1.00 6.57 O HETATM 1295 N41 PNS A 87 -16.150 -10.958 -0.105 1.00 6.43 N HETATM 1296 C42 PNS A 87 -17.460 -10.709 -0.685 1.00 7.34 C HETATM 1297 C43 PNS A 87 -17.391 -10.719 -2.190 1.00 7.87 C HETATM 1298 S44 PNS A 87 -16.610 -12.204 -2.866 1.00 8.26 S HETATM 0 H432 PNS A 87 -18.400 -10.633 -2.593 1.00 7.87 H new HETATM 0 H431 PNS A 87 -16.838 -9.842 -2.526 1.00 7.87 H new HETATM 0 H422 PNS A 87 -17.838 -9.746 -0.340 1.00 7.34 H new HETATM 0 H421 PNS A 87 -18.164 -11.468 -0.344 1.00 7.34 H new HETATM 0 H382 PNS A 87 -14.335 -11.068 2.437 1.00 5.50 H new HETATM 0 H381 PNS A 87 -14.368 -12.710 1.826 1.00 5.50 H new HETATM 0 H372 PNS A 87 -13.684 -11.834 -0.430 1.00 4.91 H new HETATM 0 H371 PNS A 87 -13.544 -10.234 0.271 1.00 4.91 H new HETATM 0 H313 PNS A 87 -8.368 -14.078 2.278 1.00 3.58 H new HETATM 0 H312 PNS A 87 -7.219 -13.034 1.409 1.00 3.58 H new HETATM 0 H311 PNS A 87 -7.412 -14.736 0.929 1.00 3.58 H new HETATM 0 H303 PNS A 87 -10.435 -14.879 1.096 1.00 3.58 H new HETATM 0 H302 PNS A 87 -9.417 -15.485 -0.232 1.00 3.58 H new HETATM 0 H301 PNS A 87 -10.753 -14.361 -0.577 1.00 3.58 H new HETATM 0 H282 PNS A 87 -8.005 -14.045 -1.487 1.00 1.96 H new HETATM 0 H281 PNS A 87 -9.187 -12.773 -1.727 1.00 1.96 H new HETATM 0 H44 PNS A 87 -16.593 -12.133 -4.164 1.00 8.26 H new HETATM 0 H41 PNS A 87 -15.326 -10.723 -0.659 1.00 6.43 H new HETATM 0 H36 PNS A 87 -11.962 -11.602 1.949 1.00 4.09 H new HETATM 0 H33 PNS A 87 -9.586 -11.811 2.877 1.00 4.16 H new HETATM 0 H32 PNS A 87 -9.140 -11.351 0.820 1.00 3.30 H new