USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 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 Set 1.1: A 17 SER OG : rot -154:sc= -0.109 USER MOD Set 1.2: A 48 THR OG1 : rot 130:sc= -0.0353 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.196 (180deg=-0.766) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0193) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.455 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.127 USER MOD Single : A 40 TYR OH : rot 157:sc= 0.88 USER MOD Single : A 46 MET CE :methyl 154:sc= -0.379 (180deg=-1.17) USER MOD Single : A 54 SER OG : rot 79:sc= 1.28 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -107:sc= -0.164 USER MOD Single : A 79 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.425 -8.933 -4.148 1.00 3.07 N ATOM 2 CA MET A 1 -18.321 -7.479 -4.052 1.00 2.76 C ATOM 3 C MET A 1 -16.992 -7.079 -3.421 1.00 2.34 C ATOM 4 O MET A 1 -15.988 -6.862 -4.124 1.00 2.38 O ATOM 5 CB MET A 1 -19.501 -6.875 -3.261 1.00 2.93 C ATOM 6 CG MET A 1 -20.867 -7.089 -3.883 1.00 3.33 C ATOM 7 SD MET A 1 -22.196 -6.285 -2.961 1.00 4.18 S ATOM 8 CE MET A 1 -22.006 -7.063 -1.365 1.00 4.50 C ATOM 0 H1 MET A 1 -19.297 -9.186 -4.656 1.00 3.07 H new ATOM 0 H2 MET A 1 -17.603 -9.307 -4.664 1.00 3.07 H new ATOM 0 H3 MET A 1 -18.450 -9.343 -3.193 1.00 3.07 H new ATOM 0 HA MET A 1 -18.363 -7.077 -5.064 1.00 2.76 H new ATOM 0 HB2 MET A 1 -19.504 -7.303 -2.259 1.00 2.93 H new ATOM 0 HB3 MET A 1 -19.333 -5.804 -3.149 1.00 2.93 H new ATOM 0 HG2 MET A 1 -20.859 -6.708 -4.904 1.00 3.33 H new ATOM 0 HG3 MET A 1 -21.069 -8.158 -3.943 1.00 3.33 H new ATOM 0 HE1 MET A 1 -22.931 -6.960 -0.798 1.00 4.50 H new ATOM 0 HE2 MET A 1 -21.779 -8.120 -1.500 1.00 4.50 H new ATOM 0 HE3 MET A 1 -21.192 -6.584 -0.821 1.00 4.50 H new ATOM 20 N ALA A 2 -16.952 -7.075 -2.092 1.00 2.23 N ATOM 21 CA ALA A 2 -15.770 -6.669 -1.382 1.00 1.97 C ATOM 22 C ALA A 2 -14.925 -7.872 -1.023 1.00 1.62 C ATOM 23 O ALA A 2 -15.331 -8.724 -0.227 1.00 1.83 O ATOM 24 CB ALA A 2 -16.140 -5.876 -0.132 1.00 2.32 C ATOM 0 H ALA A 2 -17.732 -7.351 -1.495 1.00 2.23 H new ATOM 0 HA ALA A 2 -15.183 -6.022 -2.034 1.00 1.97 H new ATOM 0 HB1 ALA A 2 -15.232 -5.578 0.392 1.00 2.32 H new ATOM 0 HB2 ALA A 2 -16.702 -4.987 -0.418 1.00 2.32 H new ATOM 0 HB3 ALA A 2 -16.751 -6.496 0.525 1.00 2.32 H new ATOM 30 N THR A 3 -13.794 -7.980 -1.650 1.00 1.33 N ATOM 31 CA THR A 3 -12.850 -9.017 -1.346 1.00 1.10 C ATOM 32 C THR A 3 -11.612 -8.340 -0.749 1.00 0.90 C ATOM 33 O THR A 3 -10.858 -7.680 -1.460 1.00 0.87 O ATOM 34 CB THR A 3 -12.480 -9.794 -2.632 1.00 1.27 C ATOM 35 OG1 THR A 3 -13.691 -10.264 -3.259 1.00 1.70 O ATOM 36 CG2 THR A 3 -11.579 -10.996 -2.314 1.00 1.78 C ATOM 0 H THR A 3 -13.496 -7.348 -2.393 1.00 1.33 H new ATOM 0 HA THR A 3 -13.271 -9.733 -0.640 1.00 1.10 H new ATOM 0 HB THR A 3 -11.937 -9.124 -3.299 1.00 1.27 H new ATOM 0 HG1 THR A 3 -13.467 -10.756 -4.076 1.00 1.70 H new ATOM 0 HG21 THR A 3 -11.336 -11.523 -3.237 1.00 1.78 H new ATOM 0 HG22 THR A 3 -10.660 -10.647 -1.842 1.00 1.78 H new ATOM 0 HG23 THR A 3 -12.101 -11.673 -1.637 1.00 1.78 H new ATOM 44 N LEU A 4 -11.507 -8.383 0.572 1.00 0.86 N ATOM 45 CA LEU A 4 -10.404 -7.756 1.289 1.00 0.72 C ATOM 46 C LEU A 4 -9.082 -8.434 0.982 1.00 0.67 C ATOM 47 O LEU A 4 -9.030 -9.636 0.766 1.00 0.83 O ATOM 48 CB LEU A 4 -10.638 -7.711 2.825 1.00 0.71 C ATOM 49 CG LEU A 4 -11.696 -6.711 3.373 1.00 0.87 C ATOM 50 CD1 LEU A 4 -13.114 -7.040 2.922 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.630 -6.654 4.890 1.00 1.75 C ATOM 0 H LEU A 4 -12.182 -8.852 1.176 1.00 0.86 H new ATOM 0 HA LEU A 4 -10.360 -6.727 0.932 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.925 -8.712 3.149 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.685 -7.483 3.302 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.450 -5.734 2.957 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.807 -6.307 3.336 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -13.165 -7.013 1.834 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.386 -8.035 3.273 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -12.376 -5.950 5.260 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -11.830 -7.644 5.300 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.637 -6.327 5.199 1.00 1.75 H new ATOM 63 N LEU A 5 -8.039 -7.643 0.954 1.00 0.55 N ATOM 64 CA LEU A 5 -6.704 -8.119 0.684 1.00 0.51 C ATOM 65 C LEU A 5 -5.990 -8.368 1.998 1.00 0.46 C ATOM 66 O LEU A 5 -6.304 -7.724 3.016 1.00 0.50 O ATOM 67 CB LEU A 5 -5.884 -7.138 -0.210 1.00 0.53 C ATOM 68 CG LEU A 5 -5.782 -5.663 0.244 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.458 -5.073 -0.202 1.00 0.66 C ATOM 70 CD2 LEU A 5 -6.907 -4.835 -0.379 1.00 0.95 C ATOM 0 H LEU A 5 -8.093 -6.638 1.120 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.787 -9.049 0.121 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -4.872 -7.532 -0.298 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.320 -7.152 -1.209 1.00 0.53 H new ATOM 0 HG LEU A 5 -5.860 -5.638 1.331 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.395 -4.034 0.122 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.639 -5.641 0.240 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.387 -5.119 -1.289 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -6.822 -3.799 -0.050 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -6.832 -4.878 -1.466 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -7.871 -5.237 -0.066 1.00 0.95 H new ATOM 82 N THR A 6 -5.045 -9.275 1.987 1.00 0.47 N ATOM 83 CA THR A 6 -4.336 -9.619 3.183 1.00 0.49 C ATOM 84 C THR A 6 -3.077 -8.774 3.320 1.00 0.40 C ATOM 85 O THR A 6 -2.818 -7.866 2.506 1.00 0.38 O ATOM 86 CB THR A 6 -3.965 -11.121 3.235 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.105 -11.456 2.133 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.205 -12.009 3.212 1.00 0.93 C ATOM 0 H THR A 6 -4.752 -9.788 1.156 1.00 0.47 H new ATOM 0 HA THR A 6 -5.006 -9.414 4.018 1.00 0.49 H new ATOM 0 HB THR A 6 -3.442 -11.300 4.174 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.595 -11.349 1.291 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.904 -13.056 3.250 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.832 -11.781 4.074 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.767 -11.826 2.296 1.00 0.93 H new ATOM 96 N THR A 7 -2.263 -9.101 4.301 1.00 0.44 N ATOM 97 CA THR A 7 -1.038 -8.409 4.525 1.00 0.42 C ATOM 98 C THR A 7 -0.016 -8.813 3.448 1.00 0.37 C ATOM 99 O THR A 7 0.856 -8.031 3.064 1.00 0.39 O ATOM 100 CB THR A 7 -0.497 -8.726 5.934 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.532 -8.482 6.911 1.00 0.58 O ATOM 102 CG2 THR A 7 0.697 -7.850 6.264 1.00 0.54 C ATOM 0 H THR A 7 -2.444 -9.858 4.960 1.00 0.44 H new ATOM 0 HA THR A 7 -1.213 -7.335 4.461 1.00 0.42 H new ATOM 0 HB THR A 7 -0.189 -9.771 5.955 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.190 -8.685 7.807 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.061 -8.092 7.263 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.489 -8.026 5.537 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.400 -6.802 6.230 1.00 0.54 H new ATOM 110 N ASP A 8 -0.195 -10.007 2.906 1.00 0.41 N ATOM 111 CA ASP A 8 0.714 -10.526 1.903 1.00 0.46 C ATOM 112 C ASP A 8 0.436 -9.930 0.555 1.00 0.42 C ATOM 113 O ASP A 8 1.338 -9.805 -0.270 1.00 0.47 O ATOM 114 CB ASP A 8 0.713 -12.053 1.856 1.00 0.62 C ATOM 115 CG ASP A 8 1.287 -12.660 3.117 1.00 1.41 C ATOM 116 OD1 ASP A 8 2.493 -12.467 3.395 1.00 1.98 O ATOM 117 OD2 ASP A 8 0.543 -13.347 3.834 1.00 2.01 O ATOM 0 H ASP A 8 -0.963 -10.634 3.146 1.00 0.41 H new ATOM 0 HA ASP A 8 1.719 -10.224 2.197 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.307 -12.410 1.713 1.00 0.62 H new ATOM 0 HB3 ASP A 8 1.292 -12.389 0.996 1.00 0.62 H new ATOM 122 N ASP A 9 -0.813 -9.540 0.332 1.00 0.41 N ATOM 123 CA ASP A 9 -1.189 -8.867 -0.910 1.00 0.46 C ATOM 124 C ASP A 9 -0.502 -7.528 -0.978 1.00 0.40 C ATOM 125 O ASP A 9 0.065 -7.151 -2.014 1.00 0.46 O ATOM 126 CB ASP A 9 -2.700 -8.657 -1.025 1.00 0.54 C ATOM 127 CG ASP A 9 -3.478 -9.936 -1.157 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.643 -10.427 -2.295 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.924 -10.460 -0.133 1.00 1.83 O ATOM 0 H ASP A 9 -1.581 -9.676 0.990 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.878 -9.507 -1.736 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -3.051 -8.117 -0.145 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.906 -8.026 -1.889 1.00 0.54 H new ATOM 134 N LEU A 10 -0.525 -6.822 0.148 1.00 0.36 N ATOM 135 CA LEU A 10 0.130 -5.518 0.268 1.00 0.35 C ATOM 136 C LEU A 10 1.633 -5.702 0.113 1.00 0.33 C ATOM 137 O LEU A 10 2.304 -4.920 -0.557 1.00 0.36 O ATOM 138 CB LEU A 10 -0.204 -4.870 1.622 1.00 0.37 C ATOM 139 CG LEU A 10 0.383 -3.469 1.881 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.137 -2.458 0.865 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.048 -3.018 3.285 1.00 0.48 C ATOM 0 H LEU A 10 -0.994 -7.132 0.999 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.233 -4.854 -0.516 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.289 -4.806 1.711 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.142 -5.536 2.413 1.00 0.37 H new ATOM 0 HG LEU A 10 1.466 -3.529 1.773 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.294 -1.479 1.073 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.146 -2.773 -0.139 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.223 -2.398 0.934 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.467 -2.027 3.459 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.035 -2.981 3.407 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.470 -3.721 4.003 1.00 0.48 H new ATOM 153 N ARG A 11 2.142 -6.772 0.724 1.00 0.33 N ATOM 154 CA ARG A 11 3.538 -7.152 0.602 1.00 0.37 C ATOM 155 C ARG A 11 3.942 -7.335 -0.870 1.00 0.39 C ATOM 156 O ARG A 11 4.990 -6.846 -1.291 1.00 0.45 O ATOM 157 CB ARG A 11 3.841 -8.394 1.481 1.00 0.45 C ATOM 158 CG ARG A 11 5.186 -9.067 1.241 1.00 0.72 C ATOM 159 CD ARG A 11 5.782 -9.644 2.534 1.00 0.63 C ATOM 160 NE ARG A 11 4.874 -10.536 3.306 1.00 1.12 N ATOM 161 CZ ARG A 11 5.019 -10.821 4.632 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.046 -10.309 5.331 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.153 -11.634 5.219 1.00 2.27 N ATOM 0 H ARG A 11 1.593 -7.396 1.316 1.00 0.33 H new ATOM 0 HA ARG A 11 4.159 -6.340 0.981 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.788 -8.096 2.528 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.054 -9.130 1.319 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.066 -9.866 0.510 1.00 0.72 H new ATOM 0 HG3 ARG A 11 5.881 -8.345 0.813 1.00 0.72 H new ATOM 0 HD2 ARG A 11 6.685 -10.201 2.283 1.00 0.63 H new ATOM 0 HD3 ARG A 11 6.086 -8.817 3.176 1.00 0.63 H new ATOM 0 HE ARG A 11 4.091 -10.963 2.810 1.00 1.12 H new ATOM 0 HH11 ARG A 11 6.724 -9.702 4.870 1.00 1.47 H new ATOM 0 HH12 ARG A 11 6.147 -10.527 6.322 1.00 1.47 H new ATOM 0 HH21 ARG A 11 3.388 -12.040 4.680 1.00 2.27 H new ATOM 0 HH22 ARG A 11 4.251 -11.854 6.210 1.00 2.27 H new ATOM 177 N ARG A 12 3.080 -7.981 -1.653 1.00 0.40 N ATOM 178 CA ARG A 12 3.341 -8.172 -3.077 1.00 0.48 C ATOM 179 C ARG A 12 3.354 -6.860 -3.836 1.00 0.47 C ATOM 180 O ARG A 12 4.326 -6.549 -4.504 1.00 0.50 O ATOM 181 CB ARG A 12 2.329 -9.085 -3.746 1.00 0.56 C ATOM 182 CG ARG A 12 2.403 -10.548 -3.366 1.00 0.94 C ATOM 183 CD ARG A 12 1.572 -11.392 -4.325 1.00 1.18 C ATOM 184 NE ARG A 12 2.071 -11.295 -5.730 1.00 1.76 N ATOM 185 CZ ARG A 12 2.226 -12.314 -6.570 1.00 2.29 C ATOM 186 NH1 ARG A 12 1.992 -13.563 -6.173 1.00 2.31 N ATOM 187 NH2 ARG A 12 2.647 -12.079 -7.801 1.00 3.30 N ATOM 0 H ARG A 12 2.199 -8.379 -1.327 1.00 0.40 H new ATOM 0 HA ARG A 12 4.326 -8.637 -3.117 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.329 -8.719 -3.512 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.454 -9.004 -4.826 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.440 -10.882 -3.384 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.042 -10.684 -2.347 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.593 -12.433 -4.004 1.00 1.18 H new ATOM 0 HD3 ARG A 12 0.532 -11.068 -4.286 1.00 1.18 H new ATOM 0 HE ARG A 12 2.314 -10.366 -6.075 1.00 1.76 H new ATOM 0 HH11 ARG A 12 1.691 -13.746 -5.216 1.00 2.31 H new ATOM 0 HH12 ARG A 12 2.114 -14.337 -6.826 1.00 2.31 H new ATOM 0 HH21 ARG A 12 2.849 -11.124 -8.097 1.00 3.30 H new ATOM 0 HH22 ARG A 12 2.770 -12.853 -8.454 1.00 3.30 H new ATOM 201 N ALA A 13 2.277 -6.093 -3.705 1.00 0.47 N ATOM 202 CA ALA A 13 2.102 -4.844 -4.438 1.00 0.53 C ATOM 203 C ALA A 13 3.220 -3.852 -4.176 1.00 0.46 C ATOM 204 O ALA A 13 3.565 -3.045 -5.048 1.00 0.48 O ATOM 205 CB ALA A 13 0.752 -4.222 -4.130 1.00 0.63 C ATOM 0 H ALA A 13 1.499 -6.320 -3.086 1.00 0.47 H new ATOM 0 HA ALA A 13 2.141 -5.094 -5.498 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.644 -3.292 -4.688 1.00 0.63 H new ATOM 0 HB2 ALA A 13 -0.041 -4.912 -4.418 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.682 -4.015 -3.062 1.00 0.63 H new ATOM 211 N LEU A 14 3.783 -3.907 -2.992 1.00 0.42 N ATOM 212 CA LEU A 14 4.855 -3.017 -2.652 1.00 0.39 C ATOM 213 C LEU A 14 6.151 -3.518 -3.322 1.00 0.40 C ATOM 214 O LEU A 14 6.820 -2.767 -4.042 1.00 0.46 O ATOM 215 CB LEU A 14 4.991 -2.909 -1.120 1.00 0.45 C ATOM 216 CG LEU A 14 5.707 -1.670 -0.589 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.955 -0.417 -0.976 1.00 0.44 C ATOM 218 CD2 LEU A 14 5.843 -1.727 0.915 1.00 1.00 C ATOM 0 H LEU A 14 3.514 -4.558 -2.254 1.00 0.42 H new ATOM 0 HA LEU A 14 4.647 -2.013 -3.022 1.00 0.39 H new ATOM 0 HB2 LEU A 14 3.992 -2.939 -0.685 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.522 -3.791 -0.761 1.00 0.45 H new ATOM 0 HG LEU A 14 6.702 -1.647 -1.033 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.480 0.456 -0.589 1.00 0.44 H new ATOM 0 HD12 LEU A 14 4.892 -0.351 -2.062 1.00 0.44 H new ATOM 0 HD13 LEU A 14 3.950 -0.452 -0.556 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.356 -0.833 1.268 1.00 1.00 H new ATOM 0 HD22 LEU A 14 4.853 -1.780 1.368 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.418 -2.610 1.195 1.00 1.00 H new ATOM 230 N VAL A 15 6.455 -4.815 -3.141 1.00 0.44 N ATOM 231 CA VAL A 15 7.655 -5.431 -3.731 1.00 0.53 C ATOM 232 C VAL A 15 7.641 -5.318 -5.257 1.00 0.55 C ATOM 233 O VAL A 15 8.627 -4.881 -5.863 1.00 0.64 O ATOM 234 CB VAL A 15 7.810 -6.925 -3.301 1.00 0.61 C ATOM 235 CG1 VAL A 15 8.947 -7.622 -4.060 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.077 -7.015 -1.804 1.00 0.64 C ATOM 0 H VAL A 15 5.885 -5.457 -2.590 1.00 0.44 H new ATOM 0 HA VAL A 15 8.515 -4.881 -3.350 1.00 0.53 H new ATOM 0 HB VAL A 15 6.876 -7.431 -3.544 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.022 -8.659 -3.732 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.741 -7.594 -5.130 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.887 -7.109 -3.858 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.183 -8.061 -1.516 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.995 -6.478 -1.565 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.244 -6.571 -1.259 1.00 0.64 H new ATOM 246 N GLU A 16 6.507 -5.675 -5.866 1.00 0.59 N ATOM 247 CA GLU A 16 6.345 -5.662 -7.322 1.00 0.69 C ATOM 248 C GLU A 16 6.431 -4.242 -7.922 1.00 0.65 C ATOM 249 O GLU A 16 6.518 -4.092 -9.132 1.00 0.77 O ATOM 250 CB GLU A 16 5.046 -6.394 -7.760 1.00 0.89 C ATOM 251 CG GLU A 16 5.057 -7.904 -7.457 1.00 1.11 C ATOM 252 CD GLU A 16 3.863 -8.675 -8.011 1.00 1.54 C ATOM 253 OE1 GLU A 16 3.789 -8.854 -9.249 1.00 1.95 O ATOM 254 OE2 GLU A 16 3.015 -9.178 -7.212 1.00 2.18 O ATOM 0 H GLU A 16 5.675 -5.982 -5.363 1.00 0.59 H new ATOM 0 HA GLU A 16 7.190 -6.217 -7.730 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.194 -5.937 -7.256 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.900 -6.248 -8.830 1.00 0.89 H new ATOM 0 HG2 GLU A 16 5.971 -8.336 -7.864 1.00 1.11 H new ATOM 0 HG3 GLU A 16 5.092 -8.044 -6.377 1.00 1.11 H new ATOM 261 N SER A 17 6.423 -3.220 -7.066 1.00 0.59 N ATOM 262 CA SER A 17 6.565 -1.845 -7.497 1.00 0.64 C ATOM 263 C SER A 17 8.065 -1.506 -7.660 1.00 0.74 C ATOM 264 O SER A 17 8.461 -0.819 -8.602 1.00 1.04 O ATOM 265 CB SER A 17 5.903 -0.918 -6.455 1.00 0.68 C ATOM 266 OG SER A 17 5.917 0.449 -6.852 1.00 1.27 O ATOM 0 H SER A 17 6.318 -3.330 -6.057 1.00 0.59 H new ATOM 0 HA SER A 17 6.073 -1.701 -8.459 1.00 0.64 H new ATOM 0 HB2 SER A 17 4.873 -1.235 -6.294 1.00 0.68 H new ATOM 0 HB3 SER A 17 6.421 -1.021 -5.501 1.00 0.68 H new ATOM 0 HG SER A 17 5.880 1.021 -6.057 1.00 1.27 H new ATOM 272 N ALA A 18 8.898 -2.024 -6.755 1.00 0.70 N ATOM 273 CA ALA A 18 10.330 -1.772 -6.828 1.00 0.87 C ATOM 274 C ALA A 18 10.971 -2.764 -7.779 1.00 1.05 C ATOM 275 O ALA A 18 11.830 -2.412 -8.584 1.00 1.57 O ATOM 276 CB ALA A 18 10.969 -1.839 -5.434 1.00 0.95 C ATOM 0 H ALA A 18 8.607 -2.612 -5.974 1.00 0.70 H new ATOM 0 HA ALA A 18 10.497 -0.765 -7.211 1.00 0.87 H new ATOM 0 HB1 ALA A 18 12.039 -1.647 -5.515 1.00 0.95 H new ATOM 0 HB2 ALA A 18 10.514 -1.088 -4.788 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.809 -2.829 -5.008 1.00 0.95 H new ATOM 282 N GLY A 19 10.519 -4.000 -7.695 1.00 0.98 N ATOM 283 CA GLY A 19 10.964 -5.042 -8.588 1.00 1.32 C ATOM 284 C GLY A 19 12.384 -5.478 -8.344 1.00 1.47 C ATOM 285 O GLY A 19 12.679 -6.225 -7.397 1.00 1.85 O ATOM 0 H GLY A 19 9.833 -4.306 -7.005 1.00 0.98 H new ATOM 0 HA2 GLY A 19 10.305 -5.904 -8.484 1.00 1.32 H new ATOM 0 HA3 GLY A 19 10.872 -4.692 -9.616 1.00 1.32 H new ATOM 289 N GLU A 20 13.271 -5.002 -9.174 1.00 1.96 N ATOM 290 CA GLU A 20 14.644 -5.393 -9.130 1.00 2.68 C ATOM 291 C GLU A 20 15.491 -4.233 -8.661 1.00 2.91 C ATOM 292 O GLU A 20 15.755 -3.290 -9.402 1.00 3.66 O ATOM 293 CB GLU A 20 15.087 -5.930 -10.505 1.00 3.52 C ATOM 294 CG GLU A 20 16.502 -6.484 -10.552 1.00 4.20 C ATOM 295 CD GLU A 20 16.780 -7.218 -11.843 1.00 4.87 C ATOM 296 OE1 GLU A 20 16.442 -8.421 -11.959 1.00 5.27 O ATOM 297 OE2 GLU A 20 17.334 -6.604 -12.767 1.00 5.31 O ATOM 0 H GLU A 20 13.054 -4.325 -9.906 1.00 1.96 H new ATOM 0 HA GLU A 20 14.777 -6.204 -8.413 1.00 2.68 H new ATOM 0 HB2 GLU A 20 14.395 -6.714 -10.812 1.00 3.52 H new ATOM 0 HB3 GLU A 20 15.003 -5.126 -11.237 1.00 3.52 H new ATOM 0 HG2 GLU A 20 17.215 -5.667 -10.439 1.00 4.20 H new ATOM 0 HG3 GLU A 20 16.655 -7.160 -9.711 1.00 4.20 H new ATOM 304 N THR A 21 15.844 -4.288 -7.406 1.00 2.73 N ATOM 305 CA THR A 21 16.632 -3.291 -6.764 1.00 3.25 C ATOM 306 C THR A 21 17.202 -3.913 -5.481 1.00 3.14 C ATOM 307 O THR A 21 17.224 -5.148 -5.357 1.00 3.43 O ATOM 308 CB THR A 21 15.787 -1.990 -6.480 1.00 3.93 C ATOM 309 OG1 THR A 21 16.574 -0.960 -5.854 1.00 4.30 O ATOM 310 CG2 THR A 21 14.573 -2.291 -5.615 1.00 4.40 C ATOM 0 H THR A 21 15.579 -5.056 -6.789 1.00 2.73 H new ATOM 0 HA THR A 21 17.451 -2.971 -7.408 1.00 3.25 H new ATOM 0 HB THR A 21 15.452 -1.627 -7.452 1.00 3.93 H new ATOM 0 HG1 THR A 21 16.014 -0.171 -5.697 1.00 4.30 H new ATOM 0 HG21 THR A 21 14.014 -1.372 -5.440 1.00 4.40 H new ATOM 0 HG22 THR A 21 13.934 -3.013 -6.124 1.00 4.40 H new ATOM 0 HG23 THR A 21 14.900 -2.705 -4.661 1.00 4.40 H new ATOM 318 N ASP A 22 17.605 -3.102 -4.546 1.00 3.24 N ATOM 319 CA ASP A 22 18.201 -3.577 -3.316 1.00 3.46 C ATOM 320 C ASP A 22 17.618 -2.821 -2.133 1.00 3.15 C ATOM 321 O ASP A 22 17.984 -1.675 -1.871 1.00 3.71 O ATOM 322 CB ASP A 22 19.729 -3.428 -3.382 1.00 4.08 C ATOM 323 CG ASP A 22 20.458 -3.944 -2.156 1.00 4.82 C ATOM 324 OD1 ASP A 22 20.330 -5.152 -1.833 1.00 5.14 O ATOM 325 OD2 ASP A 22 21.236 -3.164 -1.559 1.00 5.44 O ATOM 0 H ASP A 22 17.532 -2.087 -4.609 1.00 3.24 H new ATOM 0 HA ASP A 22 17.973 -4.635 -3.184 1.00 3.46 H new ATOM 0 HB2 ASP A 22 20.097 -3.959 -4.260 1.00 4.08 H new ATOM 0 HB3 ASP A 22 19.974 -2.375 -3.520 1.00 4.08 H new ATOM 330 N GLY A 23 16.650 -3.435 -1.479 1.00 2.69 N ATOM 331 CA GLY A 23 16.012 -2.805 -0.336 1.00 2.70 C ATOM 332 C GLY A 23 14.565 -3.224 -0.154 1.00 2.24 C ATOM 333 O GLY A 23 13.794 -2.538 0.503 1.00 2.70 O ATOM 0 H GLY A 23 16.290 -4.360 -1.715 1.00 2.69 H new ATOM 0 HA2 GLY A 23 16.571 -3.052 0.566 1.00 2.70 H new ATOM 0 HA3 GLY A 23 16.058 -1.722 -0.453 1.00 2.70 H new ATOM 337 N THR A 24 14.196 -4.365 -0.700 1.00 1.89 N ATOM 338 CA THR A 24 12.816 -4.797 -0.668 1.00 1.88 C ATOM 339 C THR A 24 12.621 -6.070 0.144 1.00 1.65 C ATOM 340 O THR A 24 11.767 -6.913 -0.183 1.00 2.03 O ATOM 341 CB THR A 24 12.303 -5.016 -2.089 1.00 2.50 C ATOM 342 OG1 THR A 24 13.280 -5.780 -2.837 1.00 3.09 O ATOM 343 CG2 THR A 24 12.050 -3.691 -2.770 1.00 2.87 C ATOM 0 H THR A 24 14.833 -5.008 -1.170 1.00 1.89 H new ATOM 0 HA THR A 24 12.247 -4.006 -0.180 1.00 1.88 H new ATOM 0 HB THR A 24 11.363 -5.566 -2.049 1.00 2.50 H new ATOM 0 HG1 THR A 24 12.953 -5.924 -3.750 1.00 3.09 H new ATOM 0 HG21 THR A 24 11.685 -3.866 -3.782 1.00 2.87 H new ATOM 0 HG22 THR A 24 11.305 -3.129 -2.207 1.00 2.87 H new ATOM 0 HG23 THR A 24 12.978 -3.121 -2.813 1.00 2.87 H new ATOM 351 N ASP A 25 13.339 -6.189 1.230 1.00 1.52 N ATOM 352 CA ASP A 25 13.233 -7.363 2.071 1.00 1.56 C ATOM 353 C ASP A 25 12.086 -7.253 3.052 1.00 1.29 C ATOM 354 O ASP A 25 12.265 -7.040 4.247 1.00 1.63 O ATOM 355 CB ASP A 25 14.565 -7.729 2.749 1.00 2.14 C ATOM 356 CG ASP A 25 15.588 -8.249 1.744 1.00 2.62 C ATOM 357 OD1 ASP A 25 16.270 -7.444 1.084 1.00 3.06 O ATOM 358 OD2 ASP A 25 15.690 -9.490 1.574 1.00 3.01 O ATOM 0 H ASP A 25 14.005 -5.489 1.557 1.00 1.52 H new ATOM 0 HA ASP A 25 12.999 -8.200 1.413 1.00 1.56 H new ATOM 0 HB2 ASP A 25 14.967 -6.852 3.257 1.00 2.14 H new ATOM 0 HB3 ASP A 25 14.388 -8.486 3.513 1.00 2.14 H new ATOM 363 N LEU A 26 10.892 -7.374 2.501 1.00 1.14 N ATOM 364 CA LEU A 26 9.637 -7.324 3.251 1.00 0.93 C ATOM 365 C LEU A 26 9.269 -8.693 3.776 1.00 0.97 C ATOM 366 O LEU A 26 8.172 -8.892 4.302 1.00 1.44 O ATOM 367 CB LEU A 26 8.479 -6.806 2.373 1.00 1.11 C ATOM 368 CG LEU A 26 8.273 -5.286 2.230 1.00 0.87 C ATOM 369 CD1 LEU A 26 9.504 -4.561 1.712 1.00 1.38 C ATOM 370 CD2 LEU A 26 7.088 -5.032 1.318 1.00 1.53 C ATOM 0 H LEU A 26 10.758 -7.513 1.499 1.00 1.14 H new ATOM 0 HA LEU A 26 9.791 -6.639 4.084 1.00 0.93 H new ATOM 0 HB2 LEU A 26 8.616 -7.215 1.372 1.00 1.11 H new ATOM 0 HB3 LEU A 26 7.554 -7.228 2.766 1.00 1.11 H new ATOM 0 HG LEU A 26 8.083 -4.885 3.226 1.00 0.87 H new ATOM 0 HD11 LEU A 26 9.292 -3.495 1.634 1.00 1.38 H new ATOM 0 HD12 LEU A 26 10.335 -4.717 2.400 1.00 1.38 H new ATOM 0 HD13 LEU A 26 9.769 -4.951 0.729 1.00 1.38 H new ATOM 0 HD21 LEU A 26 6.935 -3.958 1.211 1.00 1.53 H new ATOM 0 HD22 LEU A 26 7.282 -5.470 0.339 1.00 1.53 H new ATOM 0 HD23 LEU A 26 6.195 -5.485 1.748 1.00 1.53 H new ATOM 382 N SER A 27 10.195 -9.615 3.672 1.00 1.01 N ATOM 383 CA SER A 27 10.011 -10.987 4.063 1.00 1.18 C ATOM 384 C SER A 27 9.704 -11.136 5.556 1.00 1.27 C ATOM 385 O SER A 27 9.060 -12.085 5.963 1.00 1.98 O ATOM 386 CB SER A 27 11.251 -11.757 3.638 1.00 1.52 C ATOM 387 OG SER A 27 12.409 -10.917 3.777 1.00 2.26 O ATOM 0 H SER A 27 11.126 -9.423 3.301 1.00 1.01 H new ATOM 0 HA SER A 27 9.135 -11.400 3.564 1.00 1.18 H new ATOM 0 HB2 SER A 27 11.363 -12.653 4.249 1.00 1.52 H new ATOM 0 HB3 SER A 27 11.150 -12.087 2.604 1.00 1.52 H new ATOM 0 HG SER A 27 13.208 -11.414 3.505 1.00 2.26 H new ATOM 393 N GLY A 28 10.153 -10.181 6.350 1.00 1.18 N ATOM 394 CA GLY A 28 9.831 -10.192 7.751 1.00 1.46 C ATOM 395 C GLY A 28 8.628 -9.317 8.033 1.00 1.19 C ATOM 396 O GLY A 28 7.481 -9.724 7.798 1.00 1.73 O ATOM 0 H GLY A 28 10.734 -9.400 6.046 1.00 1.18 H new ATOM 0 HA2 GLY A 28 9.627 -11.213 8.074 1.00 1.46 H new ATOM 0 HA3 GLY A 28 10.686 -9.840 8.328 1.00 1.46 H new ATOM 400 N ASP A 29 8.885 -8.110 8.474 1.00 0.90 N ATOM 401 CA ASP A 29 7.831 -7.149 8.748 1.00 0.83 C ATOM 402 C ASP A 29 8.072 -5.885 7.977 1.00 0.79 C ATOM 403 O ASP A 29 9.216 -5.550 7.660 1.00 1.33 O ATOM 404 CB ASP A 29 7.709 -6.822 10.254 1.00 1.20 C ATOM 405 CG ASP A 29 6.729 -5.667 10.518 1.00 1.95 C ATOM 406 OD1 ASP A 29 5.521 -5.812 10.257 1.00 2.44 O ATOM 407 OD2 ASP A 29 7.158 -4.638 11.079 1.00 2.68 O ATOM 0 H ASP A 29 9.826 -7.761 8.655 1.00 0.90 H new ATOM 0 HA ASP A 29 6.893 -7.605 8.432 1.00 0.83 H new ATOM 0 HB2 ASP A 29 7.375 -7.710 10.791 1.00 1.20 H new ATOM 0 HB3 ASP A 29 8.691 -6.561 10.648 1.00 1.20 H new ATOM 412 N PHE A 30 7.007 -5.210 7.668 1.00 0.42 N ATOM 413 CA PHE A 30 7.038 -3.959 7.002 1.00 0.36 C ATOM 414 C PHE A 30 5.859 -3.124 7.470 1.00 0.32 C ATOM 415 O PHE A 30 5.620 -2.054 6.966 1.00 0.35 O ATOM 416 CB PHE A 30 7.010 -4.120 5.460 1.00 0.37 C ATOM 417 CG PHE A 30 5.721 -4.704 4.897 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.360 -6.029 5.112 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.866 -3.906 4.151 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.177 -6.533 4.602 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.685 -4.410 3.638 1.00 0.42 C ATOM 422 CZ PHE A 30 3.345 -5.719 3.867 1.00 0.46 C ATOM 0 H PHE A 30 6.064 -5.533 7.883 1.00 0.42 H new ATOM 0 HA PHE A 30 7.974 -3.459 7.250 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.178 -3.144 5.005 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.841 -4.759 5.161 1.00 0.37 H new ATOM 0 HD1 PHE A 30 6.011 -6.673 5.684 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.127 -2.874 3.968 1.00 0.38 H new ATOM 0 HE1 PHE A 30 3.907 -7.563 4.780 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.032 -3.775 3.058 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.421 -6.112 3.469 1.00 0.46 H new ATOM 432 N LEU A 31 5.145 -3.603 8.470 1.00 0.35 N ATOM 433 CA LEU A 31 3.948 -2.937 8.898 1.00 0.36 C ATOM 434 C LEU A 31 4.238 -1.804 9.847 1.00 0.39 C ATOM 435 O LEU A 31 3.544 -0.802 9.823 1.00 0.46 O ATOM 436 CB LEU A 31 2.966 -3.914 9.533 1.00 0.40 C ATOM 437 CG LEU A 31 2.435 -5.027 8.616 1.00 0.39 C ATOM 438 CD1 LEU A 31 1.491 -5.924 9.387 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.732 -4.426 7.400 1.00 0.38 C ATOM 0 H LEU A 31 5.378 -4.447 8.994 1.00 0.35 H new ATOM 0 HA LEU A 31 3.491 -2.515 8.003 1.00 0.36 H new ATOM 0 HB2 LEU A 31 3.450 -4.378 10.392 1.00 0.40 H new ATOM 0 HB3 LEU A 31 2.116 -3.348 9.914 1.00 0.40 H new ATOM 0 HG LEU A 31 3.275 -5.624 8.263 1.00 0.39 H new ATOM 0 HD11 LEU A 31 1.119 -6.710 8.730 1.00 0.45 H new ATOM 0 HD12 LEU A 31 2.021 -6.373 10.227 1.00 0.45 H new ATOM 0 HD13 LEU A 31 0.653 -5.335 9.760 1.00 0.45 H new ATOM 0 HD21 LEU A 31 1.362 -5.228 6.761 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.896 -3.810 7.731 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.436 -3.811 6.840 1.00 0.38 H new ATOM 451 N ASP A 32 5.259 -1.953 10.673 1.00 0.43 N ATOM 452 CA ASP A 32 5.563 -0.927 11.686 1.00 0.52 C ATOM 453 C ASP A 32 6.744 -0.039 11.233 1.00 0.50 C ATOM 454 O ASP A 32 7.339 0.714 12.016 1.00 0.66 O ATOM 455 CB ASP A 32 5.832 -1.597 13.055 1.00 0.69 C ATOM 456 CG ASP A 32 5.932 -0.603 14.222 1.00 1.46 C ATOM 457 OD1 ASP A 32 4.952 0.129 14.488 1.00 1.95 O ATOM 458 OD2 ASP A 32 7.021 -0.488 14.843 1.00 2.20 O ATOM 0 H ASP A 32 5.889 -2.756 10.673 1.00 0.43 H new ATOM 0 HA ASP A 32 4.699 -0.272 11.799 1.00 0.52 H new ATOM 0 HB2 ASP A 32 5.034 -2.309 13.264 1.00 0.69 H new ATOM 0 HB3 ASP A 32 6.759 -2.167 12.994 1.00 0.69 H new ATOM 463 N LEU A 33 7.049 -0.106 9.964 1.00 0.42 N ATOM 464 CA LEU A 33 8.132 0.677 9.419 1.00 0.50 C ATOM 465 C LEU A 33 7.607 1.784 8.497 1.00 0.45 C ATOM 466 O LEU A 33 6.546 1.632 7.886 1.00 0.57 O ATOM 467 CB LEU A 33 9.223 -0.229 8.784 1.00 0.66 C ATOM 468 CG LEU A 33 8.835 -1.209 7.689 1.00 0.80 C ATOM 469 CD1 LEU A 33 8.413 -0.527 6.401 1.00 1.52 C ATOM 470 CD2 LEU A 33 9.981 -2.152 7.450 1.00 1.18 C ATOM 0 H LEU A 33 6.564 -0.694 9.286 1.00 0.42 H new ATOM 0 HA LEU A 33 8.635 1.197 10.234 1.00 0.50 H new ATOM 0 HB2 LEU A 33 9.996 0.424 8.379 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.681 -0.803 9.590 1.00 0.66 H new ATOM 0 HG LEU A 33 7.959 -1.762 8.029 1.00 0.80 H new ATOM 0 HD11 LEU A 33 8.149 -1.281 5.660 1.00 1.52 H new ATOM 0 HD12 LEU A 33 7.550 0.111 6.593 1.00 1.52 H new ATOM 0 HD13 LEU A 33 9.236 0.080 6.024 1.00 1.52 H new ATOM 0 HD21 LEU A 33 9.712 -2.860 6.666 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.860 -1.586 7.142 1.00 1.18 H new ATOM 0 HD23 LEU A 33 10.203 -2.695 8.369 1.00 1.18 H new ATOM 482 N ARG A 34 8.331 2.882 8.410 1.00 0.43 N ATOM 483 CA ARG A 34 7.894 4.023 7.625 1.00 0.42 C ATOM 484 C ARG A 34 8.275 3.846 6.183 1.00 0.36 C ATOM 485 O ARG A 34 9.252 3.165 5.868 1.00 0.45 O ATOM 486 CB ARG A 34 8.536 5.319 8.118 1.00 0.58 C ATOM 487 CG ARG A 34 8.222 5.703 9.544 1.00 0.77 C ATOM 488 CD ARG A 34 8.945 6.991 9.903 1.00 1.08 C ATOM 489 NE ARG A 34 10.400 6.850 9.739 1.00 1.82 N ATOM 490 CZ ARG A 34 11.284 7.841 9.752 1.00 2.41 C ATOM 491 NH1 ARG A 34 10.889 9.111 9.815 1.00 2.43 N ATOM 492 NH2 ARG A 34 12.574 7.548 9.661 1.00 3.44 N ATOM 0 H ARG A 34 9.230 3.010 8.875 1.00 0.43 H new ATOM 0 HA ARG A 34 6.811 4.085 7.733 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.617 5.230 8.015 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.219 6.132 7.464 1.00 0.58 H new ATOM 0 HG2 ARG A 34 7.147 5.833 9.667 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.526 4.904 10.220 1.00 0.77 H new ATOM 0 HD2 ARG A 34 8.583 7.802 9.272 1.00 1.08 H new ATOM 0 HD3 ARG A 34 8.718 7.263 10.934 1.00 1.08 H new ATOM 0 HE ARG A 34 10.763 5.906 9.603 1.00 1.82 H new ATOM 0 HH11 ARG A 34 9.895 9.334 9.854 1.00 2.43 H new ATOM 0 HH12 ARG A 34 11.581 9.860 9.824 1.00 2.43 H new ATOM 0 HH21 ARG A 34 12.872 6.576 9.583 1.00 3.44 H new ATOM 0 HH22 ARG A 34 13.268 8.295 9.669 1.00 3.44 H new ATOM 506 N PHE A 35 7.540 4.501 5.308 1.00 0.33 N ATOM 507 CA PHE A 35 7.857 4.484 3.889 1.00 0.33 C ATOM 508 C PHE A 35 9.173 5.218 3.631 1.00 0.38 C ATOM 509 O PHE A 35 9.995 4.778 2.813 1.00 0.43 O ATOM 510 CB PHE A 35 6.717 5.079 3.055 1.00 0.34 C ATOM 511 CG PHE A 35 5.443 4.277 3.124 1.00 0.36 C ATOM 512 CD1 PHE A 35 5.349 3.065 2.464 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.350 4.719 3.861 1.00 0.40 C ATOM 514 CE1 PHE A 35 4.193 2.314 2.538 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.202 3.972 3.940 1.00 0.48 C ATOM 516 CZ PHE A 35 3.121 2.774 3.283 1.00 0.51 C ATOM 0 H PHE A 35 6.718 5.053 5.552 1.00 0.33 H new ATOM 0 HA PHE A 35 7.976 3.446 3.579 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.517 6.094 3.398 1.00 0.34 H new ATOM 0 HB3 PHE A 35 7.037 5.151 2.015 1.00 0.34 H new ATOM 0 HD1 PHE A 35 6.187 2.703 1.886 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.406 5.665 4.379 1.00 0.40 H new ATOM 0 HE1 PHE A 35 4.125 1.371 2.016 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.363 4.329 4.520 1.00 0.48 H new ATOM 0 HZ PHE A 35 2.218 2.186 3.346 1.00 0.51 H new ATOM 526 N GLU A 36 9.403 6.274 4.415 1.00 0.48 N ATOM 527 CA GLU A 36 10.637 7.086 4.349 1.00 0.62 C ATOM 528 C GLU A 36 11.863 6.216 4.689 1.00 0.63 C ATOM 529 O GLU A 36 12.975 6.452 4.216 1.00 0.72 O ATOM 530 CB GLU A 36 10.535 8.242 5.367 1.00 0.83 C ATOM 531 CG GLU A 36 9.310 9.132 5.181 1.00 1.40 C ATOM 532 CD GLU A 36 9.221 10.241 6.217 1.00 1.83 C ATOM 533 OE1 GLU A 36 8.647 10.016 7.313 1.00 2.73 O ATOM 534 OE2 GLU A 36 9.697 11.366 5.947 1.00 1.89 O ATOM 0 H GLU A 36 8.740 6.598 5.119 1.00 0.48 H new ATOM 0 HA GLU A 36 10.752 7.484 3.341 1.00 0.62 H new ATOM 0 HB2 GLU A 36 10.517 7.824 6.374 1.00 0.83 H new ATOM 0 HB3 GLU A 36 11.432 8.857 5.293 1.00 0.83 H new ATOM 0 HG2 GLU A 36 9.336 9.574 4.185 1.00 1.40 H new ATOM 0 HG3 GLU A 36 8.410 8.519 5.234 1.00 1.40 H new ATOM 541 N ASP A 37 11.612 5.176 5.475 1.00 0.61 N ATOM 542 CA ASP A 37 12.645 4.250 5.944 1.00 0.70 C ATOM 543 C ASP A 37 13.018 3.242 4.877 1.00 0.69 C ATOM 544 O ASP A 37 14.173 2.834 4.760 1.00 0.82 O ATOM 545 CB ASP A 37 12.141 3.480 7.168 1.00 0.77 C ATOM 546 CG ASP A 37 12.802 3.866 8.466 1.00 0.98 C ATOM 547 OD1 ASP A 37 12.477 4.943 9.019 1.00 1.27 O ATOM 548 OD2 ASP A 37 13.738 3.151 8.896 1.00 1.36 O ATOM 0 H ASP A 37 10.677 4.946 5.810 1.00 0.61 H new ATOM 0 HA ASP A 37 13.522 4.847 6.195 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.066 3.636 7.262 1.00 0.77 H new ATOM 0 HB3 ASP A 37 12.295 2.414 7.000 1.00 0.77 H new ATOM 553 N ILE A 38 12.044 2.849 4.099 1.00 0.59 N ATOM 554 CA ILE A 38 12.241 1.799 3.117 1.00 0.63 C ATOM 555 C ILE A 38 12.459 2.325 1.699 1.00 0.63 C ATOM 556 O ILE A 38 12.372 1.577 0.734 1.00 0.66 O ATOM 557 CB ILE A 38 11.098 0.745 3.151 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.722 1.422 2.995 1.00 0.48 C ATOM 559 CG2 ILE A 38 11.162 -0.068 4.445 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.556 0.457 2.886 1.00 0.54 C ATOM 0 H ILE A 38 11.101 3.237 4.122 1.00 0.59 H new ATOM 0 HA ILE A 38 13.167 1.303 3.409 1.00 0.63 H new ATOM 0 HB ILE A 38 11.233 0.064 2.310 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.555 2.079 3.849 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.740 2.053 2.106 1.00 0.48 H new ATOM 0 HG21 ILE A 38 10.356 -0.801 4.454 1.00 0.67 H new ATOM 0 HG22 ILE A 38 12.121 -0.582 4.504 1.00 0.67 H new ATOM 0 HG23 ILE A 38 11.055 0.600 5.300 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.628 1.018 2.779 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.694 -0.184 2.015 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.507 -0.157 3.785 1.00 0.54 H new ATOM 572 N GLY A 39 12.798 3.595 1.590 1.00 0.63 N ATOM 573 CA GLY A 39 13.102 4.191 0.289 1.00 0.68 C ATOM 574 C GLY A 39 11.872 4.493 -0.564 1.00 0.59 C ATOM 575 O GLY A 39 11.985 4.777 -1.754 1.00 0.70 O ATOM 0 H GLY A 39 12.872 4.238 2.379 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.657 5.116 0.446 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.756 3.516 -0.263 1.00 0.68 H new ATOM 579 N TYR A 40 10.714 4.446 0.028 1.00 0.45 N ATOM 580 CA TYR A 40 9.506 4.757 -0.688 1.00 0.45 C ATOM 581 C TYR A 40 9.131 6.193 -0.467 1.00 0.47 C ATOM 582 O TYR A 40 8.662 6.577 0.598 1.00 0.62 O ATOM 583 CB TYR A 40 8.348 3.819 -0.364 1.00 0.42 C ATOM 584 CG TYR A 40 8.460 2.448 -0.987 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.393 1.531 -0.547 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.621 2.081 -2.028 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.496 0.286 -1.111 1.00 0.60 C ATOM 588 CE2 TYR A 40 7.708 0.837 -2.603 1.00 0.68 C ATOM 589 CZ TYR A 40 8.655 -0.065 -2.136 1.00 0.67 C ATOM 590 OH TYR A 40 8.759 -1.308 -2.684 1.00 0.78 O ATOM 0 H TYR A 40 10.578 4.195 1.007 1.00 0.45 H new ATOM 0 HA TYR A 40 9.715 4.602 -1.746 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.279 3.708 0.718 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.419 4.281 -0.697 1.00 0.42 H new ATOM 0 HD1 TYR A 40 10.057 1.801 0.261 1.00 0.53 H new ATOM 0 HD2 TYR A 40 6.887 2.785 -2.392 1.00 0.57 H new ATOM 0 HE1 TYR A 40 10.235 -0.414 -0.750 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.046 0.563 -3.411 1.00 0.68 H new ATOM 0 HH TYR A 40 7.910 -1.550 -3.109 1.00 0.78 H new ATOM 600 N ASP A 41 9.405 6.968 -1.469 1.00 0.55 N ATOM 601 CA ASP A 41 9.118 8.374 -1.481 1.00 0.69 C ATOM 602 C ASP A 41 7.633 8.663 -1.589 1.00 0.85 C ATOM 603 O ASP A 41 6.915 8.785 -0.596 1.00 1.62 O ATOM 604 CB ASP A 41 9.884 9.090 -2.637 1.00 0.82 C ATOM 605 CG ASP A 41 10.011 8.296 -3.955 1.00 0.99 C ATOM 606 OD1 ASP A 41 9.012 7.682 -4.383 1.00 1.32 O ATOM 607 OD2 ASP A 41 11.101 8.265 -4.554 1.00 1.27 O ATOM 0 H ASP A 41 9.846 6.634 -2.326 1.00 0.55 H new ATOM 0 HA ASP A 41 9.461 8.767 -0.524 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.381 10.033 -2.851 1.00 0.82 H new ATOM 0 HB3 ASP A 41 10.886 9.336 -2.285 1.00 0.82 H new ATOM 612 N SER A 42 7.218 8.724 -2.783 1.00 0.50 N ATOM 613 CA SER A 42 5.878 9.073 -3.179 1.00 0.53 C ATOM 614 C SER A 42 5.609 8.465 -4.541 1.00 0.51 C ATOM 615 O SER A 42 4.576 7.838 -4.767 1.00 0.48 O ATOM 616 CB SER A 42 5.790 10.602 -3.167 1.00 0.69 C ATOM 617 OG SER A 42 4.767 11.168 -4.019 1.00 1.05 O ATOM 0 H SER A 42 7.824 8.523 -3.579 1.00 0.50 H new ATOM 0 HA SER A 42 5.116 8.684 -2.504 1.00 0.53 H new ATOM 0 HB2 SER A 42 5.611 10.931 -2.144 1.00 0.69 H new ATOM 0 HB3 SER A 42 6.756 11.008 -3.468 1.00 0.69 H new ATOM 622 N LEU A 43 6.593 8.575 -5.413 1.00 0.57 N ATOM 623 CA LEU A 43 6.519 8.049 -6.761 1.00 0.62 C ATOM 624 C LEU A 43 6.447 6.534 -6.705 1.00 0.56 C ATOM 625 O LEU A 43 5.552 5.923 -7.283 1.00 0.58 O ATOM 626 CB LEU A 43 7.756 8.485 -7.565 1.00 0.74 C ATOM 627 CG LEU A 43 7.788 8.127 -9.052 1.00 0.86 C ATOM 628 CD1 LEU A 43 6.729 8.906 -9.800 1.00 1.40 C ATOM 629 CD2 LEU A 43 9.176 8.372 -9.638 1.00 1.19 C ATOM 0 H LEU A 43 7.477 9.038 -5.202 1.00 0.57 H new ATOM 0 HA LEU A 43 5.627 8.438 -7.252 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.852 9.567 -7.476 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.636 8.048 -7.094 1.00 0.74 H new ATOM 0 HG LEU A 43 7.568 7.065 -9.161 1.00 0.86 H new ATOM 0 HD11 LEU A 43 6.762 8.642 -10.857 1.00 1.40 H new ATOM 0 HD12 LEU A 43 5.746 8.664 -9.396 1.00 1.40 H new ATOM 0 HD13 LEU A 43 6.915 9.974 -9.686 1.00 1.40 H new ATOM 0 HD21 LEU A 43 9.175 8.111 -10.696 1.00 1.19 H new ATOM 0 HD22 LEU A 43 9.439 9.424 -9.524 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.907 7.757 -9.113 1.00 1.19 H new ATOM 641 N ALA A 44 7.361 5.951 -5.950 1.00 0.54 N ATOM 642 CA ALA A 44 7.447 4.503 -5.784 1.00 0.54 C ATOM 643 C ALA A 44 6.232 3.973 -5.036 1.00 0.47 C ATOM 644 O ALA A 44 5.840 2.816 -5.190 1.00 0.53 O ATOM 645 CB ALA A 44 8.719 4.149 -5.018 1.00 0.59 C ATOM 0 H ALA A 44 8.070 6.468 -5.430 1.00 0.54 H new ATOM 0 HA ALA A 44 7.474 4.041 -6.771 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.781 3.068 -4.895 1.00 0.59 H new ATOM 0 HB2 ALA A 44 9.588 4.502 -5.573 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.698 4.625 -4.038 1.00 0.59 H new ATOM 651 N LEU A 45 5.644 4.842 -4.249 1.00 0.42 N ATOM 652 CA LEU A 45 4.536 4.512 -3.385 1.00 0.38 C ATOM 653 C LEU A 45 3.210 4.544 -4.176 1.00 0.37 C ATOM 654 O LEU A 45 2.361 3.667 -4.012 1.00 0.39 O ATOM 655 CB LEU A 45 4.569 5.483 -2.172 1.00 0.35 C ATOM 656 CG LEU A 45 3.648 5.213 -0.967 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.104 6.034 0.220 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.220 5.572 -1.282 1.00 0.53 C ATOM 0 H LEU A 45 5.929 5.820 -4.190 1.00 0.42 H new ATOM 0 HA LEU A 45 4.617 3.495 -3.001 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.594 5.511 -1.802 1.00 0.35 H new ATOM 0 HB3 LEU A 45 4.338 6.481 -2.544 1.00 0.35 H new ATOM 0 HG LEU A 45 3.703 4.149 -0.736 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.450 5.840 1.070 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.127 5.761 0.480 1.00 0.38 H new ATOM 0 HD13 LEU A 45 4.064 7.093 -0.034 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.594 5.371 -0.413 1.00 0.53 H new ATOM 0 HD22 LEU A 45 2.158 6.630 -1.536 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.872 4.975 -2.125 1.00 0.53 H new ATOM 670 N MET A 46 3.038 5.543 -5.050 1.00 0.37 N ATOM 671 CA MET A 46 1.807 5.635 -5.834 1.00 0.40 C ATOM 672 C MET A 46 1.627 4.494 -6.802 1.00 0.35 C ATOM 673 O MET A 46 0.496 4.088 -7.059 1.00 0.36 O ATOM 674 CB MET A 46 1.621 6.970 -6.532 1.00 0.52 C ATOM 675 CG MET A 46 1.358 8.123 -5.585 1.00 0.70 C ATOM 676 SD MET A 46 0.799 9.603 -6.434 1.00 0.96 S ATOM 677 CE MET A 46 -0.723 9.020 -7.184 1.00 2.41 C ATOM 0 H MET A 46 3.719 6.281 -5.228 1.00 0.37 H new ATOM 0 HA MET A 46 1.016 5.557 -5.088 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.513 7.190 -7.119 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.790 6.891 -7.233 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.607 7.823 -4.854 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.270 8.349 -5.032 1.00 0.70 H new ATOM 0 HE1 MET A 46 -1.399 9.861 -7.337 1.00 2.41 H new ATOM 0 HE2 MET A 46 -0.500 8.554 -8.144 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.196 8.290 -6.527 1.00 2.41 H new ATOM 687 N GLU A 47 2.734 3.969 -7.325 1.00 0.37 N ATOM 688 CA GLU A 47 2.685 2.807 -8.223 1.00 0.39 C ATOM 689 C GLU A 47 1.998 1.626 -7.514 1.00 0.37 C ATOM 690 O GLU A 47 1.182 0.914 -8.108 1.00 0.43 O ATOM 691 CB GLU A 47 4.094 2.404 -8.676 1.00 0.48 C ATOM 692 CG GLU A 47 4.833 3.484 -9.471 1.00 0.68 C ATOM 693 CD GLU A 47 4.164 3.788 -10.796 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.230 4.617 -10.822 1.00 2.15 O ATOM 695 OE2 GLU A 47 4.544 3.189 -11.827 1.00 1.84 O ATOM 0 H GLU A 47 3.673 4.325 -7.146 1.00 0.37 H new ATOM 0 HA GLU A 47 2.109 3.079 -9.107 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.686 2.147 -7.797 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.023 1.504 -9.287 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.886 4.396 -8.877 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.858 3.161 -9.651 1.00 0.68 H new ATOM 702 N THR A 48 2.312 1.462 -6.236 1.00 0.36 N ATOM 703 CA THR A 48 1.725 0.439 -5.392 1.00 0.39 C ATOM 704 C THR A 48 0.231 0.731 -5.149 1.00 0.35 C ATOM 705 O THR A 48 -0.613 -0.149 -5.339 1.00 0.40 O ATOM 706 CB THR A 48 2.455 0.440 -4.040 1.00 0.43 C ATOM 707 OG1 THR A 48 3.847 0.239 -4.267 1.00 0.51 O ATOM 708 CG2 THR A 48 1.915 -0.652 -3.116 1.00 0.51 C ATOM 0 H THR A 48 2.993 2.047 -5.752 1.00 0.36 H new ATOM 0 HA THR A 48 1.822 -0.529 -5.884 1.00 0.39 H new ATOM 0 HB THR A 48 2.288 1.400 -3.552 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.359 0.923 -3.786 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.452 -0.625 -2.168 1.00 0.51 H new ATOM 0 HG22 THR A 48 0.853 -0.484 -2.936 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.054 -1.626 -3.584 1.00 0.51 H new ATOM 716 N ALA A 49 -0.074 1.959 -4.726 1.00 0.31 N ATOM 717 CA ALA A 49 -1.446 2.368 -4.412 1.00 0.32 C ATOM 718 C ALA A 49 -2.377 2.136 -5.606 1.00 0.30 C ATOM 719 O ALA A 49 -3.352 1.373 -5.506 1.00 0.32 O ATOM 720 CB ALA A 49 -1.479 3.836 -3.975 1.00 0.38 C ATOM 0 H ALA A 49 0.619 2.696 -4.592 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.804 1.753 -3.586 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.505 4.124 -3.745 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -0.858 3.966 -3.088 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.097 4.464 -4.780 1.00 0.38 H new ATOM 726 N ALA A 50 -2.008 2.712 -6.747 1.00 0.29 N ATOM 727 CA ALA A 50 -2.809 2.610 -7.965 1.00 0.31 C ATOM 728 C ALA A 50 -2.912 1.167 -8.453 1.00 0.31 C ATOM 729 O ALA A 50 -3.881 0.785 -9.106 1.00 0.35 O ATOM 730 CB ALA A 50 -2.233 3.492 -9.053 1.00 0.39 C ATOM 0 H ALA A 50 -1.153 3.258 -6.854 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.816 2.953 -7.726 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.842 3.404 -9.953 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -2.230 4.529 -8.717 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -1.212 3.179 -9.273 1.00 0.39 H new ATOM 736 N ARG A 51 -1.905 0.372 -8.127 1.00 0.32 N ATOM 737 CA ARG A 51 -1.854 -1.034 -8.500 1.00 0.38 C ATOM 738 C ARG A 51 -2.985 -1.785 -7.806 1.00 0.37 C ATOM 739 O ARG A 51 -3.712 -2.585 -8.437 1.00 0.47 O ATOM 740 CB ARG A 51 -0.511 -1.643 -8.088 1.00 0.49 C ATOM 741 CG ARG A 51 -0.192 -3.004 -8.672 1.00 0.97 C ATOM 742 CD ARG A 51 0.139 -2.933 -10.164 1.00 0.98 C ATOM 743 NE ARG A 51 -1.009 -2.547 -11.010 1.00 1.92 N ATOM 744 CZ ARG A 51 -0.933 -1.748 -12.099 1.00 2.31 C ATOM 745 NH1 ARG A 51 0.191 -1.076 -12.374 1.00 2.05 N ATOM 746 NH2 ARG A 51 -2.002 -1.573 -12.874 1.00 3.40 N ATOM 0 H ARG A 51 -1.095 0.686 -7.593 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.965 -1.117 -9.581 1.00 0.38 H new ATOM 0 HB2 ARG A 51 0.282 -0.952 -8.374 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.488 -1.722 -7.001 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.651 -3.438 -8.135 1.00 0.97 H new ATOM 0 HG3 ARG A 51 -1.042 -3.669 -8.522 1.00 0.97 H new ATOM 0 HD2 ARG A 51 0.947 -2.216 -10.314 1.00 0.98 H new ATOM 0 HD3 ARG A 51 0.510 -3.904 -10.491 1.00 0.98 H new ATOM 0 HE ARG A 51 -1.927 -2.910 -10.754 1.00 1.92 H new ATOM 0 HH11 ARG A 51 1.001 -1.164 -11.760 1.00 2.05 H new ATOM 0 HH12 ARG A 51 0.238 -0.476 -13.198 1.00 2.05 H new ATOM 0 HH21 ARG A 51 -2.879 -2.042 -12.647 1.00 3.40 H new ATOM 0 HH22 ARG A 51 -1.944 -0.970 -13.695 1.00 3.40 H new ATOM 760 N LEU A 52 -3.161 -1.492 -6.525 1.00 0.32 N ATOM 761 CA LEU A 52 -4.199 -2.117 -5.722 1.00 0.34 C ATOM 762 C LEU A 52 -5.576 -1.612 -6.114 1.00 0.33 C ATOM 763 O LEU A 52 -6.527 -2.415 -6.235 1.00 0.40 O ATOM 764 CB LEU A 52 -3.938 -1.889 -4.226 1.00 0.35 C ATOM 765 CG LEU A 52 -2.718 -2.614 -3.649 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.478 -2.206 -2.193 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.915 -4.122 -3.756 1.00 0.39 C ATOM 0 H LEU A 52 -2.590 -0.817 -6.016 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.172 -3.190 -5.915 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -3.817 -0.819 -4.056 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.821 -2.202 -3.669 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.838 -2.329 -4.226 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.607 -2.734 -1.806 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.304 -1.131 -2.140 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.352 -2.462 -1.595 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -2.045 -4.633 -3.344 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.805 -4.413 -3.197 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -3.037 -4.400 -4.803 1.00 0.39 H new ATOM 779 N GLU A 53 -5.680 -0.305 -6.352 1.00 0.28 N ATOM 780 CA GLU A 53 -6.934 0.309 -6.771 1.00 0.29 C ATOM 781 C GLU A 53 -7.421 -0.345 -8.066 1.00 0.31 C ATOM 782 O GLU A 53 -8.608 -0.604 -8.221 1.00 0.35 O ATOM 783 CB GLU A 53 -6.771 1.818 -7.014 1.00 0.29 C ATOM 784 CG GLU A 53 -6.315 2.647 -5.827 1.00 0.35 C ATOM 785 CD GLU A 53 -6.226 4.110 -6.208 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.223 4.510 -6.840 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.189 4.870 -5.928 1.00 0.51 O ATOM 0 H GLU A 53 -4.904 0.351 -6.260 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.658 0.160 -5.970 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -6.055 1.958 -7.824 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.726 2.213 -7.360 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.012 2.522 -4.999 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.343 2.295 -5.481 1.00 0.35 H new ATOM 794 N SER A 54 -6.485 -0.637 -8.972 1.00 0.35 N ATOM 795 CA SER A 54 -6.805 -1.269 -10.250 1.00 0.43 C ATOM 796 C SER A 54 -7.329 -2.704 -10.060 1.00 0.47 C ATOM 797 O SER A 54 -8.270 -3.112 -10.709 1.00 0.61 O ATOM 798 CB SER A 54 -5.563 -1.301 -11.158 1.00 0.49 C ATOM 799 OG SER A 54 -5.035 -0.006 -11.402 1.00 1.16 O ATOM 0 H SER A 54 -5.492 -0.443 -8.840 1.00 0.35 H new ATOM 0 HA SER A 54 -7.590 -0.674 -10.717 1.00 0.43 H new ATOM 0 HB2 SER A 54 -4.795 -1.922 -10.696 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.823 -1.769 -12.108 1.00 0.49 H new ATOM 0 HG SER A 54 -4.507 0.283 -10.629 1.00 1.16 H new ATOM 805 N ARG A 55 -6.711 -3.451 -9.164 1.00 0.40 N ATOM 806 CA ARG A 55 -7.086 -4.845 -8.961 1.00 0.46 C ATOM 807 C ARG A 55 -8.374 -5.001 -8.160 1.00 0.47 C ATOM 808 O ARG A 55 -9.180 -5.867 -8.458 1.00 0.57 O ATOM 809 CB ARG A 55 -5.928 -5.680 -8.343 1.00 0.50 C ATOM 810 CG ARG A 55 -6.320 -7.129 -8.021 1.00 0.61 C ATOM 811 CD ARG A 55 -5.157 -7.955 -7.474 1.00 0.75 C ATOM 812 NE ARG A 55 -4.153 -8.272 -8.501 1.00 1.28 N ATOM 813 CZ ARG A 55 -3.074 -9.036 -8.300 1.00 1.65 C ATOM 814 NH1 ARG A 55 -2.839 -9.577 -7.092 1.00 1.46 N ATOM 815 NH2 ARG A 55 -2.266 -9.295 -9.315 1.00 2.65 N ATOM 0 H ARG A 55 -5.952 -3.122 -8.567 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.285 -5.247 -9.954 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -5.086 -5.685 -9.035 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.587 -5.193 -7.429 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -7.131 -7.127 -7.293 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.703 -7.605 -8.924 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.679 -7.408 -6.661 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -5.543 -8.882 -7.051 1.00 0.75 H new ATOM 0 HE ARG A 55 -4.289 -7.881 -9.433 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -3.486 -9.406 -6.322 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -2.014 -10.159 -6.945 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -2.469 -8.913 -10.239 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -1.440 -9.876 -9.174 1.00 2.65 H new ATOM 829 N TYR A 56 -8.566 -4.176 -7.157 1.00 0.42 N ATOM 830 CA TYR A 56 -9.734 -4.338 -6.310 1.00 0.47 C ATOM 831 C TYR A 56 -10.878 -3.390 -6.667 1.00 0.50 C ATOM 832 O TYR A 56 -11.998 -3.549 -6.191 1.00 0.67 O ATOM 833 CB TYR A 56 -9.344 -4.323 -4.816 1.00 0.52 C ATOM 834 CG TYR A 56 -8.465 -5.519 -4.460 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.011 -6.785 -4.259 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.097 -5.361 -4.258 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.217 -7.858 -3.865 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.298 -6.431 -3.879 1.00 0.65 C ATOM 839 CZ TYR A 56 -6.849 -7.737 -3.943 1.00 0.67 C ATOM 840 OH TYR A 56 -6.081 -8.718 -3.255 1.00 0.79 O ATOM 0 H TYR A 56 -7.948 -3.403 -6.908 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.145 -5.327 -6.511 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.815 -3.399 -4.585 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.245 -4.336 -4.203 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.069 -6.936 -4.412 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.649 -4.388 -4.399 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -8.668 -8.771 -3.504 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.283 -6.274 -3.544 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.127 -8.533 -3.380 1.00 0.79 H new ATOM 850 N GLY A 57 -10.598 -2.434 -7.540 1.00 0.41 N ATOM 851 CA GLY A 57 -11.633 -1.538 -8.034 1.00 0.45 C ATOM 852 C GLY A 57 -11.979 -0.430 -7.053 1.00 0.46 C ATOM 853 O GLY A 57 -13.165 -0.156 -6.805 1.00 0.61 O ATOM 0 H GLY A 57 -9.668 -2.259 -7.920 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.303 -1.094 -8.973 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.531 -2.115 -8.253 1.00 0.45 H new ATOM 857 N VAL A 58 -10.965 0.235 -6.513 1.00 0.38 N ATOM 858 CA VAL A 58 -11.220 1.275 -5.532 1.00 0.42 C ATOM 859 C VAL A 58 -10.718 2.630 -6.036 1.00 0.45 C ATOM 860 O VAL A 58 -10.220 2.718 -7.156 1.00 0.51 O ATOM 861 CB VAL A 58 -10.656 0.938 -4.090 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.918 -0.490 -3.732 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.184 1.270 -3.884 1.00 0.57 C ATOM 0 H VAL A 58 -9.982 0.076 -6.733 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.302 1.330 -5.413 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.204 1.597 -3.417 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.521 -0.695 -2.738 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.992 -0.676 -3.739 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.432 -1.142 -4.458 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.890 1.005 -2.869 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.581 0.706 -4.596 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -9.026 2.337 -4.040 1.00 0.57 H new ATOM 873 N SER A 59 -10.868 3.669 -5.237 1.00 0.51 N ATOM 874 CA SER A 59 -10.363 4.982 -5.566 1.00 0.61 C ATOM 875 C SER A 59 -10.009 5.712 -4.264 1.00 0.56 C ATOM 876 O SER A 59 -10.888 5.951 -3.422 1.00 0.63 O ATOM 877 CB SER A 59 -11.413 5.787 -6.370 1.00 0.84 C ATOM 878 OG SER A 59 -11.762 5.121 -7.584 1.00 1.59 O ATOM 0 H SER A 59 -11.347 3.622 -4.337 1.00 0.51 H new ATOM 0 HA SER A 59 -9.473 4.885 -6.188 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.306 5.931 -5.762 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.019 6.777 -6.597 1.00 0.84 H new ATOM 0 HG SER A 59 -12.428 5.652 -8.069 1.00 1.59 H new ATOM 884 N ILE A 60 -8.749 6.012 -4.077 1.00 0.50 N ATOM 885 CA ILE A 60 -8.291 6.729 -2.897 1.00 0.48 C ATOM 886 C ILE A 60 -8.116 8.222 -3.176 1.00 0.53 C ATOM 887 O ILE A 60 -7.328 8.624 -4.039 1.00 0.63 O ATOM 888 CB ILE A 60 -6.988 6.098 -2.279 1.00 0.48 C ATOM 889 CG1 ILE A 60 -7.335 4.766 -1.594 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.259 7.052 -1.318 1.00 0.53 C ATOM 891 CD1 ILE A 60 -6.163 4.066 -0.934 1.00 0.75 C ATOM 0 H ILE A 60 -8.006 5.770 -4.733 1.00 0.50 H new ATOM 0 HA ILE A 60 -9.075 6.626 -2.146 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.290 5.912 -3.095 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -8.101 4.950 -0.841 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -7.770 4.095 -2.335 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -5.369 6.561 -0.924 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -5.968 7.956 -1.854 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.922 7.316 -0.494 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.504 3.137 -0.478 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -5.403 3.845 -1.683 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -5.739 4.713 -0.166 1.00 0.75 H new ATOM 903 N PRO A 61 -8.869 9.063 -2.452 1.00 0.65 N ATOM 904 CA PRO A 61 -8.765 10.510 -2.561 1.00 0.77 C ATOM 905 C PRO A 61 -7.479 11.023 -1.899 1.00 0.65 C ATOM 906 O PRO A 61 -7.084 10.542 -0.820 1.00 0.57 O ATOM 907 CB PRO A 61 -10.004 11.030 -1.791 1.00 0.97 C ATOM 908 CG PRO A 61 -10.847 9.826 -1.527 1.00 1.08 C ATOM 909 CD PRO A 61 -9.901 8.670 -1.481 1.00 0.83 C ATOM 0 HA PRO A 61 -8.730 10.845 -3.598 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.712 11.516 -0.860 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.549 11.769 -2.378 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.388 9.926 -0.586 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.592 9.691 -2.311 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.486 8.525 -0.484 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -10.388 7.736 -1.762 1.00 0.83 H new ATOM 917 N ASP A 62 -6.863 11.997 -2.538 1.00 0.74 N ATOM 918 CA ASP A 62 -5.603 12.642 -2.084 1.00 0.73 C ATOM 919 C ASP A 62 -5.597 13.010 -0.590 1.00 0.62 C ATOM 920 O ASP A 62 -4.645 12.680 0.124 1.00 0.64 O ATOM 921 CB ASP A 62 -5.277 13.870 -2.960 1.00 0.93 C ATOM 922 CG ASP A 62 -6.447 14.832 -3.132 1.00 1.44 C ATOM 923 OD1 ASP A 62 -7.242 14.652 -4.096 1.00 1.92 O ATOM 924 OD2 ASP A 62 -6.604 15.767 -2.325 1.00 2.07 O ATOM 0 H ASP A 62 -7.217 12.387 -3.412 1.00 0.74 H new ATOM 0 HA ASP A 62 -4.818 11.896 -2.206 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -4.439 14.408 -2.517 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -4.953 13.528 -3.943 1.00 0.93 H new ATOM 929 N ASP A 63 -6.650 13.663 -0.128 1.00 0.63 N ATOM 930 CA ASP A 63 -6.794 14.047 1.295 1.00 0.61 C ATOM 931 C ASP A 63 -6.681 12.836 2.238 1.00 0.59 C ATOM 932 O ASP A 63 -6.049 12.903 3.287 1.00 0.64 O ATOM 933 CB ASP A 63 -8.155 14.745 1.513 1.00 0.77 C ATOM 934 CG ASP A 63 -8.403 15.185 2.959 1.00 1.36 C ATOM 935 OD1 ASP A 63 -8.901 14.369 3.776 1.00 2.10 O ATOM 936 OD2 ASP A 63 -8.080 16.347 3.304 1.00 2.00 O ATOM 0 H ASP A 63 -7.435 13.948 -0.714 1.00 0.63 H new ATOM 0 HA ASP A 63 -5.978 14.730 1.533 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -8.213 15.618 0.863 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -8.953 14.068 1.208 1.00 0.77 H new ATOM 941 N VAL A 64 -7.216 11.714 1.804 1.00 0.62 N ATOM 942 CA VAL A 64 -7.282 10.519 2.629 1.00 0.69 C ATOM 943 C VAL A 64 -5.957 9.738 2.567 1.00 0.67 C ATOM 944 O VAL A 64 -5.659 8.913 3.434 1.00 0.78 O ATOM 945 CB VAL A 64 -8.485 9.598 2.216 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.641 8.405 3.154 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.781 10.406 2.171 1.00 0.90 C ATOM 0 H VAL A 64 -7.617 11.601 0.873 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.447 10.840 3.657 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.269 9.207 1.222 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.485 7.796 2.830 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.731 7.805 3.134 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.818 8.761 4.169 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.606 9.754 1.883 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -9.980 10.830 3.155 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.683 11.211 1.442 1.00 0.90 H new ATOM 957 N ALA A 65 -5.139 10.055 1.582 1.00 0.61 N ATOM 958 CA ALA A 65 -3.860 9.392 1.423 1.00 0.67 C ATOM 959 C ALA A 65 -2.891 9.865 2.506 1.00 0.64 C ATOM 960 O ALA A 65 -2.114 9.094 3.039 1.00 0.74 O ATOM 961 CB ALA A 65 -3.295 9.651 0.036 1.00 0.77 C ATOM 0 H ALA A 65 -5.338 10.768 0.880 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.002 8.317 1.531 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.335 9.146 -0.066 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -3.987 9.270 -0.716 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.158 10.723 -0.107 1.00 0.77 H new ATOM 967 N GLY A 66 -3.020 11.123 2.891 1.00 0.58 N ATOM 968 CA GLY A 66 -2.154 11.686 3.902 1.00 0.66 C ATOM 969 C GLY A 66 -2.668 11.436 5.307 1.00 0.68 C ATOM 970 O GLY A 66 -2.521 12.274 6.196 1.00 0.86 O ATOM 0 H GLY A 66 -3.715 11.769 2.518 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -1.156 11.258 3.801 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -2.059 12.759 3.738 1.00 0.66 H new ATOM 974 N ARG A 67 -3.284 10.300 5.513 1.00 0.64 N ATOM 975 CA ARG A 67 -3.797 9.946 6.823 1.00 0.79 C ATOM 976 C ARG A 67 -3.033 8.745 7.368 1.00 0.77 C ATOM 977 O ARG A 67 -3.325 8.246 8.463 1.00 0.95 O ATOM 978 CB ARG A 67 -5.306 9.645 6.765 1.00 0.94 C ATOM 979 CG ARG A 67 -6.159 10.764 6.147 1.00 1.12 C ATOM 980 CD ARG A 67 -6.069 12.083 6.906 1.00 1.40 C ATOM 981 NE ARG A 67 -6.647 12.017 8.260 1.00 1.89 N ATOM 982 CZ ARG A 67 -6.993 13.100 8.996 1.00 2.51 C ATOM 983 NH1 ARG A 67 -6.826 14.326 8.515 1.00 2.93 N ATOM 984 NH2 ARG A 67 -7.545 12.951 10.194 1.00 3.22 N ATOM 0 H ARG A 67 -3.446 9.598 4.791 1.00 0.64 H new ATOM 0 HA ARG A 67 -3.653 10.794 7.492 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -5.459 8.731 6.191 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -5.663 9.450 7.776 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -5.843 10.924 5.116 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -7.200 10.442 6.115 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -5.023 12.382 6.979 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -6.583 12.858 6.337 1.00 1.40 H new ATOM 0 HE ARG A 67 -6.796 11.095 8.670 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -6.434 14.459 7.583 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -7.090 15.135 9.078 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -7.711 12.016 10.566 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -7.803 13.772 10.742 1.00 3.22 H new ATOM 998 N VAL A 68 -2.036 8.288 6.618 1.00 0.62 N ATOM 999 CA VAL A 68 -1.248 7.128 7.019 1.00 0.66 C ATOM 1000 C VAL A 68 0.192 7.508 7.318 1.00 0.67 C ATOM 1001 O VAL A 68 0.584 8.673 7.158 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.250 5.980 5.957 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.630 5.409 5.753 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.674 6.451 4.615 1.00 0.64 C ATOM 0 H VAL A 68 -1.754 8.703 5.730 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.733 6.757 7.922 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.608 5.192 6.351 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.589 4.615 5.008 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.999 5.004 6.695 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.302 6.195 5.408 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.692 5.627 3.902 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -1.274 7.276 4.231 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.354 6.786 4.757 1.00 0.64 H new ATOM 1014 N ASP A 69 0.965 6.516 7.730 1.00 0.54 N ATOM 1015 CA ASP A 69 2.394 6.660 7.961 1.00 0.64 C ATOM 1016 C ASP A 69 3.058 5.327 7.692 1.00 0.50 C ATOM 1017 O ASP A 69 4.097 5.248 7.028 1.00 0.54 O ATOM 1018 CB ASP A 69 2.697 7.123 9.401 1.00 0.99 C ATOM 1019 CG ASP A 69 4.199 7.239 9.692 1.00 1.11 C ATOM 1020 OD1 ASP A 69 4.816 8.265 9.337 1.00 1.37 O ATOM 1021 OD2 ASP A 69 4.758 6.317 10.321 1.00 1.84 O ATOM 0 H ASP A 69 0.614 5.577 7.916 1.00 0.54 H new ATOM 0 HA ASP A 69 2.785 7.425 7.290 1.00 0.64 H new ATOM 0 HB2 ASP A 69 2.224 8.090 9.573 1.00 0.99 H new ATOM 0 HB3 ASP A 69 2.250 6.420 10.104 1.00 0.99 H new ATOM 1026 N THR A 70 2.427 4.265 8.171 1.00 0.43 N ATOM 1027 CA THR A 70 2.926 2.928 7.965 1.00 0.37 C ATOM 1028 C THR A 70 1.938 2.080 7.133 1.00 0.33 C ATOM 1029 O THR A 70 0.727 2.392 7.067 1.00 0.34 O ATOM 1030 CB THR A 70 3.181 2.230 9.313 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.983 2.240 10.089 1.00 0.51 O ATOM 1032 CG2 THR A 70 4.298 2.919 10.070 1.00 0.44 C ATOM 0 H THR A 70 1.561 4.313 8.709 1.00 0.43 H new ATOM 0 HA THR A 70 3.864 3.014 7.416 1.00 0.37 H new ATOM 0 HB THR A 70 3.482 1.200 9.124 1.00 0.42 H new ATOM 0 HG1 THR A 70 2.074 2.884 10.822 1.00 0.51 H new ATOM 0 HG21 THR A 70 4.462 2.410 11.020 1.00 0.44 H new ATOM 0 HG22 THR A 70 5.213 2.886 9.478 1.00 0.44 H new ATOM 0 HG23 THR A 70 4.024 3.957 10.258 1.00 0.44 H new ATOM 1040 N PRO A 71 2.429 0.997 6.466 1.00 0.32 N ATOM 1041 CA PRO A 71 1.600 0.051 5.682 1.00 0.31 C ATOM 1042 C PRO A 71 0.464 -0.554 6.513 1.00 0.29 C ATOM 1043 O PRO A 71 -0.587 -0.906 5.981 1.00 0.33 O ATOM 1044 CB PRO A 71 2.603 -1.036 5.296 1.00 0.34 C ATOM 1045 CG PRO A 71 3.884 -0.300 5.200 1.00 0.38 C ATOM 1046 CD PRO A 71 3.865 0.643 6.362 1.00 0.36 C ATOM 0 HA PRO A 71 1.111 0.534 4.836 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.648 -1.826 6.046 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.339 -1.509 4.350 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.736 -0.978 5.253 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.963 0.237 4.255 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.234 0.172 7.273 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.487 1.520 6.183 1.00 0.36 H new ATOM 1054 N ARG A 72 0.689 -0.656 7.823 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.294 -1.168 8.780 1.00 0.34 C ATOM 1056 C ARG A 72 -1.602 -0.389 8.674 1.00 0.36 C ATOM 1057 O ARG A 72 -2.693 -0.957 8.640 1.00 0.43 O ATOM 1058 CB ARG A 72 0.281 -1.006 10.198 1.00 0.41 C ATOM 1059 CG ARG A 72 -0.657 -1.372 11.345 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.023 -1.022 12.682 1.00 0.69 C ATOM 1061 NE ARG A 72 0.319 0.418 12.756 1.00 0.75 N ATOM 1062 CZ ARG A 72 1.467 0.924 13.250 1.00 0.98 C ATOM 1063 NH1 ARG A 72 2.398 0.099 13.745 1.00 1.38 N ATOM 1064 NH2 ARG A 72 1.672 2.245 13.218 1.00 1.16 N ATOM 0 H ARG A 72 1.571 -0.382 8.256 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.498 -2.217 8.564 1.00 0.34 H new ATOM 0 HB2 ARG A 72 1.178 -1.621 10.278 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.593 0.031 10.326 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -1.602 -0.841 11.234 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -0.884 -2.437 11.311 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -0.709 -1.277 13.490 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.877 -1.620 12.828 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.371 1.081 12.404 1.00 0.75 H new ATOM 0 HH11 ARG A 72 2.237 -0.908 13.747 1.00 1.38 H new ATOM 0 HH12 ARG A 72 3.268 0.478 14.120 1.00 1.38 H new ATOM 0 HH21 ARG A 72 0.963 2.862 12.822 1.00 1.16 H new ATOM 0 HH22 ARG A 72 2.538 2.636 13.590 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.465 0.900 8.575 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.586 1.816 8.571 1.00 0.42 C ATOM 1080 C GLU A 73 -3.186 1.930 7.164 1.00 0.40 C ATOM 1081 O GLU A 73 -4.375 2.158 6.995 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.055 3.134 9.101 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.486 2.954 10.501 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.376 3.910 10.854 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.207 4.504 9.916 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -0.171 4.189 12.065 1.00 1.33 O ATOM 0 H GLU A 73 -0.559 1.361 8.493 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.405 1.469 9.202 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.282 3.516 8.434 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.855 3.874 9.119 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.293 3.071 11.225 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -1.115 1.934 10.600 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.341 1.708 6.172 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.727 1.749 4.761 1.00 0.43 C ATOM 1095 C LEU A 74 -3.660 0.553 4.467 1.00 0.41 C ATOM 1096 O LEU A 74 -4.692 0.698 3.819 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.425 1.678 3.890 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.486 2.138 2.400 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -0.112 2.031 1.747 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.492 1.350 1.584 1.00 1.10 C ATOM 0 H LEU A 74 -1.355 1.491 6.319 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.260 2.670 4.524 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.663 2.277 4.388 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -1.077 0.645 3.902 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.811 3.178 2.414 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -0.176 2.356 0.709 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.596 2.664 2.282 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.228 0.996 1.783 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.491 1.713 0.556 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -2.223 0.294 1.596 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.486 1.476 2.012 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.281 -0.605 4.985 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.997 -1.869 4.762 1.00 0.41 C ATOM 1114 C LEU A 75 -5.471 -1.764 5.167 1.00 0.39 C ATOM 1115 O LEU A 75 -6.380 -1.906 4.327 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.322 -2.977 5.577 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.871 -4.400 5.404 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.600 -4.927 4.003 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.287 -5.324 6.462 1.00 0.54 C ATOM 0 H LEU A 75 -2.459 -0.703 5.580 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.959 -2.100 3.697 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.263 -2.989 5.321 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.392 -2.712 6.632 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.952 -4.368 5.537 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.000 -5.937 3.910 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.080 -4.278 3.271 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.525 -4.945 3.823 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.685 -6.330 6.327 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.202 -5.348 6.365 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.555 -4.958 7.453 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.695 -1.443 6.442 1.00 0.44 N ATOM 1132 CA ASP A 76 -7.057 -1.394 7.017 1.00 0.48 C ATOM 1133 C ASP A 76 -7.888 -0.305 6.357 1.00 0.40 C ATOM 1134 O ASP A 76 -9.103 -0.443 6.192 1.00 0.44 O ATOM 1135 CB ASP A 76 -7.005 -1.176 8.534 1.00 0.66 C ATOM 1136 CG ASP A 76 -8.361 -1.339 9.214 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.800 -2.485 9.456 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -9.036 -0.311 9.459 1.00 1.89 O ATOM 0 H ASP A 76 -4.955 -1.211 7.104 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.533 -2.355 6.823 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -6.300 -1.882 8.972 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -6.622 -0.176 8.737 1.00 0.66 H new ATOM 1143 N LEU A 77 -7.207 0.748 5.918 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.844 1.869 5.233 1.00 0.38 C ATOM 1145 C LEU A 77 -8.525 1.396 3.953 1.00 0.33 C ATOM 1146 O LEU A 77 -9.679 1.743 3.682 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.804 2.965 4.920 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.301 4.219 4.193 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.303 4.960 5.036 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -6.128 5.126 3.825 1.00 1.24 C ATOM 0 H LEU A 77 -6.198 0.849 6.027 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.605 2.290 5.890 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.350 3.278 5.860 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.013 2.517 4.318 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.795 3.908 3.272 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.643 5.847 4.501 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -9.155 4.312 5.243 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -7.838 5.259 5.976 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -6.500 6.011 3.310 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -5.603 5.428 4.731 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.442 4.587 3.171 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.826 0.558 3.197 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.371 0.035 1.958 1.00 0.32 C ATOM 1164 C ILE A 78 -9.430 -1.016 2.246 1.00 0.29 C ATOM 1165 O ILE A 78 -10.475 -1.044 1.595 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.269 -0.523 1.003 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.355 0.616 0.536 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.877 -1.273 -0.191 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.321 0.211 -0.504 1.00 0.63 C ATOM 0 H ILE A 78 -6.887 0.230 3.421 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.837 0.870 1.435 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.672 -1.246 1.559 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -6.972 1.414 0.124 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.838 1.028 1.403 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.078 -1.646 -0.832 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.473 -2.111 0.171 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.513 -0.595 -0.761 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.719 1.078 -0.776 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.675 -0.564 -0.092 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.827 -0.172 -1.390 1.00 0.63 H new ATOM 1181 N ASN A 79 -9.171 -1.848 3.248 1.00 0.30 N ATOM 1182 CA ASN A 79 -10.095 -2.920 3.636 1.00 0.33 C ATOM 1183 C ASN A 79 -11.457 -2.347 3.987 1.00 0.37 C ATOM 1184 O ASN A 79 -12.484 -2.881 3.573 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.568 -3.750 4.832 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.241 -4.497 4.600 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.493 -4.740 5.530 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.940 -4.848 3.369 1.00 0.55 N ATOM 0 H ASN A 79 -8.323 -1.804 3.814 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.180 -3.585 2.776 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -9.443 -3.083 5.685 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.330 -4.479 5.107 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.064 -5.335 3.177 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -8.582 -4.634 2.606 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.449 -1.250 4.725 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.681 -0.596 5.107 1.00 0.46 C ATOM 1197 C GLY A 80 -13.351 0.128 3.951 1.00 0.47 C ATOM 1198 O GLY A 80 -14.571 0.095 3.827 1.00 0.57 O ATOM 0 H GLY A 80 -10.603 -0.797 5.069 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -13.369 -1.338 5.512 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -12.475 0.117 5.905 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.543 0.727 3.078 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.045 1.539 1.966 1.00 0.49 C ATOM 1204 C ALA A 81 -13.836 0.702 0.966 1.00 0.54 C ATOM 1205 O ALA A 81 -14.765 1.197 0.323 1.00 0.68 O ATOM 1206 CB ALA A 81 -11.900 2.266 1.283 1.00 0.49 C ATOM 0 H ALA A 81 -11.526 0.665 3.119 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.731 2.280 2.377 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.289 2.865 0.459 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.402 2.917 2.002 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.186 1.539 0.897 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.465 -0.568 0.854 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.137 -1.541 -0.023 1.00 0.57 C ATOM 1214 C LEU A 82 -15.658 -1.575 0.215 1.00 0.70 C ATOM 1215 O LEU A 82 -16.452 -1.543 -0.726 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.558 -2.949 0.233 1.00 0.54 C ATOM 1217 CG LEU A 82 -12.121 -3.195 -0.229 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -11.604 -4.506 0.339 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.059 -3.241 -1.741 1.00 0.63 C ATOM 0 H LEU A 82 -12.681 -0.964 1.372 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.961 -1.234 -1.054 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -13.610 -3.149 1.303 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -14.203 -3.677 -0.259 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.497 -2.377 0.132 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.580 -4.670 0.003 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -11.626 -4.465 1.428 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -12.234 -5.326 -0.006 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -11.031 -3.417 -2.058 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -12.694 -4.048 -2.107 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -12.407 -2.292 -2.148 1.00 0.63 H new ATOM 1231 N ALA A 83 -16.051 -1.539 1.484 1.00 0.69 N ATOM 1232 CA ALA A 83 -17.444 -1.739 1.867 1.00 0.87 C ATOM 1233 C ALA A 83 -18.314 -0.487 1.708 1.00 1.01 C ATOM 1234 O ALA A 83 -19.520 -0.523 1.946 1.00 1.25 O ATOM 1235 CB ALA A 83 -17.518 -2.274 3.282 1.00 0.90 C ATOM 0 H ALA A 83 -15.421 -1.372 2.268 1.00 0.69 H new ATOM 0 HA ALA A 83 -17.857 -2.472 1.174 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -18.561 -2.421 3.561 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -16.990 -3.226 3.339 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -17.056 -1.561 3.965 1.00 0.90 H new ATOM 1241 N GLU A 84 -17.704 0.611 1.310 1.00 0.95 N ATOM 1242 CA GLU A 84 -18.433 1.856 1.095 1.00 1.11 C ATOM 1243 C GLU A 84 -18.850 1.977 -0.364 1.00 1.18 C ATOM 1244 O GLU A 84 -19.610 2.885 -0.758 1.00 1.36 O ATOM 1245 CB GLU A 84 -17.577 3.047 1.480 1.00 1.15 C ATOM 1246 CG GLU A 84 -17.227 3.127 2.957 1.00 1.57 C ATOM 1247 CD GLU A 84 -18.422 3.387 3.870 1.00 1.76 C ATOM 1248 OE1 GLU A 84 -19.228 4.286 3.577 1.00 1.86 O ATOM 1249 OE2 GLU A 84 -18.566 2.715 4.902 1.00 2.49 O ATOM 0 H GLU A 84 -16.702 0.672 1.127 1.00 0.95 H new ATOM 0 HA GLU A 84 -19.324 1.843 1.723 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -16.653 3.015 0.903 1.00 1.15 H new ATOM 0 HB3 GLU A 84 -18.099 3.960 1.194 1.00 1.15 H new ATOM 0 HG2 GLU A 84 -16.751 2.193 3.257 1.00 1.57 H new ATOM 0 HG3 GLU A 84 -16.493 3.920 3.103 1.00 1.57 H new ATOM 1256 N ALA A 85 -18.324 1.096 -1.159 1.00 1.15 N ATOM 1257 CA ALA A 85 -18.661 1.064 -2.562 1.00 1.34 C ATOM 1258 C ALA A 85 -19.585 -0.124 -2.877 1.00 1.47 C ATOM 1259 O ALA A 85 -20.821 0.037 -2.842 1.00 1.86 O ATOM 1260 CB ALA A 85 -17.405 1.103 -3.442 1.00 1.37 C ATOM 0 H ALA A 85 -17.656 0.384 -0.865 1.00 1.15 H new ATOM 0 HA ALA A 85 -19.223 1.966 -2.803 1.00 1.34 H new ATOM 0 HB1 ALA A 85 -17.696 1.077 -4.492 1.00 1.37 H new ATOM 0 HB2 ALA A 85 -16.849 2.019 -3.242 1.00 1.37 H new ATOM 0 HB3 ALA A 85 -16.777 0.241 -3.218 1.00 1.37 H new ATOM 1266 N ALA A 86 -18.989 -1.300 -3.107 1.00 1.53 N ATOM 1267 CA ALA A 86 -19.670 -2.556 -3.429 1.00 1.70 C ATOM 1268 C ALA A 86 -18.609 -3.527 -3.905 1.00 2.36 C ATOM 1269 O ALA A 86 -17.963 -4.143 -3.058 1.00 2.86 O ATOM 1270 CB ALA A 86 -20.733 -2.394 -4.529 1.00 2.39 C ATOM 1271 OXT ALA A 86 -18.393 -3.639 -5.136 1.00 3.03 O ATOM 0 H ALA A 86 -17.975 -1.405 -3.072 1.00 1.53 H new ATOM 0 HA ALA A 86 -20.191 -2.910 -2.539 1.00 1.70 H new ATOM 0 HB1 ALA A 86 -21.204 -3.357 -4.725 1.00 2.39 H new ATOM 0 HB2 ALA A 86 -21.489 -1.680 -4.202 1.00 2.39 H new ATOM 0 HB3 ALA A 86 -20.260 -2.029 -5.441 1.00 2.39 H new TER 1277 ALA A 86 HETATM 1278 P24 SXR A 101 5.285 12.221 -5.053 1.00 1.19 P HETATM 1279 O26 SXR A 101 6.678 12.769 -4.590 1.00 1.72 O HETATM 1280 O23 SXR A 101 4.206 13.244 -5.346 1.00 1.83 O HETATM 1281 O27 SXR A 101 5.525 11.370 -6.333 1.00 1.31 O HETATM 1282 C28 SXR A 101 4.402 10.661 -7.002 1.00 1.24 C HETATM 1283 C29 SXR A 101 3.731 11.480 -8.154 1.00 1.82 C HETATM 1284 C30 SXR A 101 3.035 10.472 -9.054 1.00 2.42 C HETATM 1285 C31 SXR A 101 2.666 12.445 -7.605 1.00 1.85 C HETATM 1286 C32 SXR A 101 4.842 12.294 -8.973 1.00 2.74 C HETATM 1287 O33 SXR A 101 5.201 13.481 -8.217 1.00 3.00 O HETATM 1288 C34 SXR A 101 4.294 12.794 -10.313 1.00 3.44 C HETATM 1289 O35 SXR A 101 4.312 12.086 -11.344 1.00 3.88 O HETATM 1290 N36 SXR A 101 3.832 14.014 -10.281 1.00 3.90 N HETATM 1291 C37 SXR A 101 3.254 14.714 -11.418 1.00 4.60 C HETATM 1292 C38 SXR A 101 1.828 15.173 -11.096 1.00 4.73 C HETATM 1293 C39 SXR A 101 0.932 14.010 -10.661 1.00 4.02 C HETATM 1294 O40 SXR A 101 0.911 12.935 -11.272 1.00 4.42 O HETATM 1295 N41 SXR A 101 0.219 14.249 -9.580 1.00 3.33 N HETATM 1296 C42 SXR A 101 -0.687 13.292 -8.958 1.00 2.88 C HETATM 1297 C43 SXR A 101 -1.524 13.955 -7.870 1.00 2.85 C HETATM 1298 S1 SXR A 101 -2.317 12.768 -6.886 1.00 3.15 S HETATM 1299 C11 SXR A 101 0.210 8.655 -0.432 1.00 2.09 C HETATM 1300 C10 SXR A 101 0.289 8.098 0.846 1.00 2.05 C HETATM 1301 C9 SXR A 101 1.282 8.528 1.741 1.00 1.91 C HETATM 1302 C8 SXR A 101 2.183 9.519 1.343 1.00 2.19 C HETATM 1303 C7 SXR A 101 2.096 10.070 0.068 1.00 2.18 C HETATM 1304 C6 SXR A 101 1.114 9.653 -0.833 1.00 1.95 C HETATM 1305 C5 SXR A 101 1.044 10.268 -2.203 1.00 2.57 C HETATM 1306 C4 SXR A 101 -0.350 10.470 -2.746 1.00 2.29 C HETATM 1307 C3 SXR A 101 -0.615 11.875 -3.293 1.00 2.88 C HETATM 1308 O3 SXR A 101 0.019 12.854 -2.865 1.00 3.69 O HETATM 1309 C2 SXR A 101 -1.658 12.072 -4.358 1.00 2.88 C HETATM 1310 C1 SXR A 101 -1.092 12.557 -5.679 1.00 2.84 C