USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 hydrogens (23 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -115:sc= -0.345 (180deg=-0.735) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.24 (180deg=0.396) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -58:sc= 1.14 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 86:sc= 0.335 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.000144 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -15:sc= -0.277 USER MOD Single : A 46 MET CE :methyl -177:sc= -1.32 (180deg=-1.35) USER MOD Single : A 48 THR OG1 : rot 84:sc= 0.581 USER MOD Single : A 54 SER OG : rot 83:sc= 0.0939 USER MOD Single : A 56 TYR OH : rot -119:sc= 0.0789 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00449 USER MOD Single : A 79 ASN : amide:sc= -0.751 K(o=-0.75,f=-5.9!) USER MOD Single : A 87 SXA O33 : rot -100:sc= 0.0248 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.061 -5.901 -3.843 1.00 4.19 N ATOM 2 CA MET A 1 19.208 -4.495 -3.430 1.00 3.33 C ATOM 3 C MET A 1 18.808 -4.335 -1.975 1.00 2.81 C ATOM 4 O MET A 1 19.586 -3.851 -1.162 1.00 3.10 O ATOM 5 CB MET A 1 18.357 -3.527 -4.292 1.00 3.38 C ATOM 6 CG MET A 1 18.752 -3.413 -5.763 1.00 4.12 C ATOM 7 SD MET A 1 18.410 -4.900 -6.735 1.00 4.79 S ATOM 8 CE MET A 1 16.618 -4.981 -6.648 1.00 5.54 C ATOM 0 H1 MET A 1 18.951 -5.950 -4.876 1.00 4.19 H new ATOM 0 H2 MET A 1 19.906 -6.436 -3.559 1.00 4.19 H new ATOM 0 H3 MET A 1 18.222 -6.311 -3.386 1.00 4.19 H new ATOM 0 HA MET A 1 20.257 -4.236 -3.571 1.00 3.33 H new ATOM 0 HB2 MET A 1 17.316 -3.846 -4.240 1.00 3.38 H new ATOM 0 HB3 MET A 1 18.408 -2.534 -3.845 1.00 3.38 H new ATOM 0 HG2 MET A 1 18.221 -2.571 -6.207 1.00 4.12 H new ATOM 0 HG3 MET A 1 19.816 -3.187 -5.826 1.00 4.12 H new ATOM 0 HE1 MET A 1 16.320 -5.876 -6.101 1.00 5.54 H new ATOM 0 HE2 MET A 1 16.238 -4.098 -6.133 1.00 5.54 H new ATOM 0 HE3 MET A 1 16.206 -5.018 -7.656 1.00 5.54 H new ATOM 20 N ALA A 2 17.598 -4.753 -1.643 1.00 2.62 N ATOM 21 CA ALA A 2 17.081 -4.640 -0.291 1.00 2.47 C ATOM 22 C ALA A 2 16.016 -5.694 -0.091 1.00 1.86 C ATOM 23 O ALA A 2 15.766 -6.499 -0.999 1.00 1.91 O ATOM 24 CB ALA A 2 16.495 -3.252 -0.062 1.00 3.03 C ATOM 0 H ALA A 2 16.948 -5.180 -2.303 1.00 2.62 H new ATOM 0 HA ALA A 2 17.890 -4.790 0.425 1.00 2.47 H new ATOM 0 HB1 ALA A 2 16.111 -3.182 0.956 1.00 3.03 H new ATOM 0 HB2 ALA A 2 17.271 -2.501 -0.210 1.00 3.03 H new ATOM 0 HB3 ALA A 2 15.683 -3.079 -0.768 1.00 3.03 H new ATOM 30 N THR A 3 15.407 -5.721 1.060 1.00 1.56 N ATOM 31 CA THR A 3 14.339 -6.650 1.313 1.00 1.14 C ATOM 32 C THR A 3 13.063 -6.079 0.692 1.00 0.93 C ATOM 33 O THR A 3 12.525 -5.078 1.161 1.00 1.17 O ATOM 34 CB THR A 3 14.176 -6.807 2.831 1.00 1.54 C ATOM 35 OG1 THR A 3 15.459 -7.155 3.388 1.00 1.88 O ATOM 36 CG2 THR A 3 13.171 -7.905 3.162 1.00 1.93 C ATOM 0 H THR A 3 15.632 -5.107 1.843 1.00 1.56 H new ATOM 0 HA THR A 3 14.550 -7.627 0.879 1.00 1.14 H new ATOM 0 HB THR A 3 13.808 -5.871 3.251 1.00 1.54 H new ATOM 0 HG1 THR A 3 15.377 -7.258 4.359 1.00 1.88 H new ATOM 0 HG21 THR A 3 13.074 -7.996 4.244 1.00 1.93 H new ATOM 0 HG22 THR A 3 12.202 -7.653 2.731 1.00 1.93 H new ATOM 0 HG23 THR A 3 13.517 -8.852 2.748 1.00 1.93 H new ATOM 44 N LEU A 4 12.641 -6.674 -0.405 1.00 0.66 N ATOM 45 CA LEU A 4 11.494 -6.190 -1.133 1.00 0.56 C ATOM 46 C LEU A 4 10.227 -6.787 -0.566 1.00 0.50 C ATOM 47 O LEU A 4 10.276 -7.743 0.201 1.00 0.76 O ATOM 48 CB LEU A 4 11.636 -6.503 -2.620 1.00 0.65 C ATOM 49 CG LEU A 4 12.917 -5.981 -3.289 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.904 -6.297 -4.764 1.00 0.96 C ATOM 51 CD2 LEU A 4 13.096 -4.483 -3.064 1.00 0.86 C ATOM 0 H LEU A 4 13.081 -7.499 -0.811 1.00 0.66 H new ATOM 0 HA LEU A 4 11.436 -5.107 -1.024 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.594 -7.584 -2.751 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.777 -6.085 -3.145 1.00 0.65 H new ATOM 0 HG LEU A 4 13.765 -6.487 -2.827 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.818 -5.921 -5.225 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.844 -7.376 -4.904 1.00 0.96 H new ATOM 0 HD13 LEU A 4 12.041 -5.822 -5.230 1.00 0.96 H new ATOM 0 HD21 LEU A 4 14.012 -4.149 -3.551 1.00 0.86 H new ATOM 0 HD22 LEU A 4 12.245 -3.948 -3.485 1.00 0.86 H new ATOM 0 HD23 LEU A 4 13.159 -4.281 -1.995 1.00 0.86 H new ATOM 63 N LEU A 5 9.108 -6.239 -0.940 1.00 0.36 N ATOM 64 CA LEU A 5 7.846 -6.650 -0.374 1.00 0.36 C ATOM 65 C LEU A 5 7.128 -7.627 -1.254 1.00 0.39 C ATOM 66 O LEU A 5 7.346 -7.666 -2.469 1.00 0.52 O ATOM 67 CB LEU A 5 6.947 -5.448 -0.163 1.00 0.42 C ATOM 68 CG LEU A 5 7.524 -4.316 0.654 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.453 -3.298 0.962 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.149 -4.847 1.913 1.00 0.54 C ATOM 0 H LEU A 5 9.038 -5.500 -1.640 1.00 0.36 H new ATOM 0 HA LEU A 5 8.070 -7.132 0.578 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.665 -5.056 -1.140 1.00 0.42 H new ATOM 0 HB3 LEU A 5 6.031 -5.787 0.321 1.00 0.42 H new ATOM 0 HG LEU A 5 8.304 -3.821 0.075 1.00 0.51 H new ATOM 0 HD11 LEU A 5 6.881 -2.487 1.551 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.053 -2.898 0.030 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.651 -3.773 1.527 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.561 -4.020 2.492 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.393 -5.363 2.505 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.947 -5.544 1.657 1.00 0.54 H new ATOM 82 N THR A 6 6.292 -8.407 -0.648 1.00 0.36 N ATOM 83 CA THR A 6 5.450 -9.317 -1.350 1.00 0.41 C ATOM 84 C THR A 6 4.006 -8.818 -1.318 1.00 0.30 C ATOM 85 O THR A 6 3.723 -7.727 -0.767 1.00 0.24 O ATOM 86 CB THR A 6 5.519 -10.741 -0.739 1.00 0.56 C ATOM 87 OG1 THR A 6 5.263 -10.690 0.690 1.00 0.59 O ATOM 88 CG2 THR A 6 6.869 -11.383 -0.994 1.00 0.79 C ATOM 0 H THR A 6 6.174 -8.429 0.365 1.00 0.36 H new ATOM 0 HA THR A 6 5.801 -9.371 -2.380 1.00 0.41 H new ATOM 0 HB THR A 6 4.753 -11.347 -1.222 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.920 -10.102 1.119 1.00 0.59 H new ATOM 0 HG21 THR A 6 6.887 -12.380 -0.554 1.00 0.79 H new ATOM 0 HG22 THR A 6 7.039 -11.457 -2.068 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.653 -10.774 -0.544 1.00 0.79 H new ATOM 96 N THR A 7 3.117 -9.596 -1.892 1.00 0.33 N ATOM 97 CA THR A 7 1.690 -9.369 -1.835 1.00 0.32 C ATOM 98 C THR A 7 1.243 -9.297 -0.363 1.00 0.24 C ATOM 99 O THR A 7 0.497 -8.401 0.027 1.00 0.26 O ATOM 100 CB THR A 7 0.984 -10.543 -2.551 1.00 0.44 C ATOM 101 OG1 THR A 7 1.421 -10.593 -3.924 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.526 -10.412 -2.505 1.00 0.55 C ATOM 0 H THR A 7 3.373 -10.427 -2.426 1.00 0.33 H new ATOM 0 HA THR A 7 1.431 -8.430 -2.324 1.00 0.32 H new ATOM 0 HB THR A 7 1.252 -11.463 -2.031 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.977 -11.337 -4.382 1.00 0.55 H new ATOM 0 HG21 THR A 7 -0.980 -11.258 -3.020 1.00 0.55 H new ATOM 0 HG22 THR A 7 -0.859 -10.398 -1.467 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.826 -9.486 -2.995 1.00 0.55 H new ATOM 110 N ASP A 8 1.747 -10.235 0.439 1.00 0.28 N ATOM 111 CA ASP A 8 1.392 -10.356 1.861 1.00 0.31 C ATOM 112 C ASP A 8 1.741 -9.090 2.646 1.00 0.24 C ATOM 113 O ASP A 8 0.933 -8.613 3.456 1.00 0.28 O ATOM 114 CB ASP A 8 2.088 -11.563 2.484 1.00 0.46 C ATOM 115 CG ASP A 8 1.584 -11.878 3.872 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.568 -12.592 3.992 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.191 -11.454 4.864 1.00 1.61 O ATOM 0 H ASP A 8 2.416 -10.937 0.123 1.00 0.28 H new ATOM 0 HA ASP A 8 0.312 -10.495 1.914 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.941 -12.432 1.843 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.161 -11.376 2.526 1.00 0.46 H new ATOM 122 N ASP A 9 2.913 -8.515 2.350 1.00 0.24 N ATOM 123 CA ASP A 9 3.388 -7.284 3.025 1.00 0.28 C ATOM 124 C ASP A 9 2.440 -6.161 2.729 1.00 0.24 C ATOM 125 O ASP A 9 1.988 -5.452 3.638 1.00 0.30 O ATOM 126 CB ASP A 9 4.787 -6.859 2.524 1.00 0.38 C ATOM 127 CG ASP A 9 5.885 -7.812 2.883 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.408 -7.708 4.014 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.226 -8.691 2.065 1.00 1.78 O ATOM 0 H ASP A 9 3.557 -8.878 1.647 1.00 0.24 H new ATOM 0 HA ASP A 9 3.440 -7.496 4.093 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.755 -6.752 1.440 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.025 -5.878 2.935 1.00 0.38 H new ATOM 134 N LEU A 10 2.123 -6.035 1.455 1.00 0.19 N ATOM 135 CA LEU A 10 1.219 -5.028 0.947 1.00 0.23 C ATOM 136 C LEU A 10 -0.169 -5.201 1.564 1.00 0.24 C ATOM 137 O LEU A 10 -0.730 -4.256 2.113 1.00 0.30 O ATOM 138 CB LEU A 10 1.145 -5.162 -0.577 1.00 0.27 C ATOM 139 CG LEU A 10 0.240 -4.189 -1.322 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.725 -2.755 -1.161 1.00 0.47 C ATOM 141 CD2 LEU A 10 0.171 -4.577 -2.782 1.00 0.47 C ATOM 0 H LEU A 10 2.497 -6.646 0.729 1.00 0.19 H new ATOM 0 HA LEU A 10 1.585 -4.036 1.212 1.00 0.23 H new ATOM 0 HB2 LEU A 10 2.154 -5.055 -0.974 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.816 -6.175 -0.811 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.761 -4.243 -0.894 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.060 -2.083 -1.703 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.728 -2.488 -0.104 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.735 -2.666 -1.560 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.477 -3.880 -3.313 1.00 0.47 H new ATOM 0 HD22 LEU A 10 1.171 -4.545 -3.215 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.231 -5.586 -2.872 1.00 0.47 H new ATOM 153 N ARG A 11 -0.687 -6.426 1.483 1.00 0.24 N ATOM 154 CA ARG A 11 -1.999 -6.795 2.013 1.00 0.30 C ATOM 155 C ARG A 11 -2.158 -6.367 3.460 1.00 0.33 C ATOM 156 O ARG A 11 -3.083 -5.635 3.793 1.00 0.38 O ATOM 157 CB ARG A 11 -2.228 -8.312 1.875 1.00 0.36 C ATOM 158 CG ARG A 11 -3.558 -8.800 2.435 1.00 0.51 C ATOM 159 CD ARG A 11 -3.796 -10.279 2.147 1.00 0.73 C ATOM 160 NE ARG A 11 -2.768 -11.161 2.712 1.00 0.97 N ATOM 161 CZ ARG A 11 -3.019 -12.337 3.314 1.00 1.30 C ATOM 162 NH1 ARG A 11 -4.275 -12.756 3.464 1.00 1.81 N ATOM 163 NH2 ARG A 11 -2.021 -13.084 3.762 1.00 1.98 N ATOM 0 H ARG A 11 -0.198 -7.203 1.039 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.752 -6.268 1.426 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.171 -8.582 0.820 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.419 -8.837 2.383 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.580 -8.633 3.512 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.369 -8.213 2.005 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.769 -10.566 2.546 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.838 -10.428 1.068 1.00 0.73 H new ATOM 0 HE ARG A 11 -1.796 -10.861 2.643 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -5.048 -12.185 3.122 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -4.464 -13.648 3.921 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -1.058 -12.768 3.651 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -2.216 -13.975 4.218 1.00 1.98 H new ATOM 177 N ARG A 12 -1.241 -6.814 4.302 1.00 0.33 N ATOM 178 CA ARG A 12 -1.274 -6.504 5.726 1.00 0.39 C ATOM 179 C ARG A 12 -1.262 -5.001 5.987 1.00 0.39 C ATOM 180 O ARG A 12 -2.076 -4.498 6.764 1.00 0.48 O ATOM 181 CB ARG A 12 -0.132 -7.190 6.461 1.00 0.49 C ATOM 182 CG ARG A 12 -0.232 -8.704 6.466 1.00 0.77 C ATOM 183 CD ARG A 12 0.925 -9.321 7.214 1.00 0.90 C ATOM 184 NE ARG A 12 0.964 -8.895 8.619 1.00 1.28 N ATOM 185 CZ ARG A 12 2.017 -9.028 9.432 1.00 1.77 C ATOM 186 NH1 ARG A 12 3.171 -9.477 8.958 1.00 2.08 N ATOM 187 NH2 ARG A 12 1.916 -8.687 10.714 1.00 2.59 N ATOM 0 H ARG A 12 -0.455 -7.400 4.021 1.00 0.33 H new ATOM 0 HA ARG A 12 -2.216 -6.892 6.115 1.00 0.39 H new ATOM 0 HB2 ARG A 12 0.812 -6.899 6.000 1.00 0.49 H new ATOM 0 HB3 ARG A 12 -0.108 -6.833 7.491 1.00 0.49 H new ATOM 0 HG2 ARG A 12 -1.171 -9.008 6.927 1.00 0.77 H new ATOM 0 HG3 ARG A 12 -0.246 -9.074 5.441 1.00 0.77 H new ATOM 0 HD2 ARG A 12 0.849 -10.407 7.167 1.00 0.90 H new ATOM 0 HD3 ARG A 12 1.860 -9.046 6.726 1.00 0.90 H new ATOM 0 HE ARG A 12 0.123 -8.465 9.004 1.00 1.28 H new ATOM 0 HH11 ARG A 12 3.257 -9.722 7.971 1.00 2.08 H new ATOM 0 HH12 ARG A 12 3.973 -9.578 9.580 1.00 2.08 H new ATOM 0 HH21 ARG A 12 1.035 -8.324 11.077 1.00 2.59 H new ATOM 0 HH22 ARG A 12 2.720 -8.789 11.334 1.00 2.59 H new ATOM 201 N ALA A 13 -0.376 -4.290 5.292 1.00 0.35 N ATOM 202 CA ALA A 13 -0.245 -2.849 5.448 1.00 0.41 C ATOM 203 C ALA A 13 -1.532 -2.134 5.066 1.00 0.42 C ATOM 204 O ALA A 13 -1.949 -1.181 5.745 1.00 0.50 O ATOM 205 CB ALA A 13 0.914 -2.330 4.619 1.00 0.48 C ATOM 0 H ALA A 13 0.265 -4.696 4.611 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.045 -2.642 6.499 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.998 -1.251 4.747 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.838 -2.807 4.946 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.740 -2.558 3.567 1.00 0.48 H new ATOM 211 N LEU A 14 -2.163 -2.611 4.003 1.00 0.41 N ATOM 212 CA LEU A 14 -3.420 -2.060 3.524 1.00 0.49 C ATOM 213 C LEU A 14 -4.526 -2.277 4.541 1.00 0.55 C ATOM 214 O LEU A 14 -5.298 -1.364 4.830 1.00 0.72 O ATOM 215 CB LEU A 14 -3.817 -2.699 2.183 1.00 0.51 C ATOM 216 CG LEU A 14 -2.984 -2.314 0.962 1.00 0.52 C ATOM 217 CD1 LEU A 14 -3.380 -3.165 -0.228 1.00 0.93 C ATOM 218 CD2 LEU A 14 -3.198 -0.852 0.632 1.00 0.92 C ATOM 0 H LEU A 14 -1.816 -3.393 3.448 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.281 -0.989 3.379 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.772 -3.782 2.297 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -4.857 -2.443 1.979 1.00 0.51 H new ATOM 0 HG LEU A 14 -1.931 -2.483 1.188 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.780 -2.882 -1.093 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -3.210 -4.216 0.004 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -4.435 -3.009 -0.452 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -2.601 -0.585 -0.240 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.252 -0.678 0.417 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.895 -0.239 1.481 1.00 0.92 H new ATOM 230 N VAL A 15 -4.607 -3.486 5.073 1.00 0.51 N ATOM 231 CA VAL A 15 -5.620 -3.832 6.068 1.00 0.60 C ATOM 232 C VAL A 15 -5.452 -2.955 7.309 1.00 0.58 C ATOM 233 O VAL A 15 -6.361 -2.201 7.672 1.00 0.66 O ATOM 234 CB VAL A 15 -5.539 -5.344 6.462 1.00 0.69 C ATOM 235 CG1 VAL A 15 -6.547 -5.683 7.556 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.800 -6.225 5.249 1.00 0.76 C ATOM 0 H VAL A 15 -3.979 -4.253 4.832 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.601 -3.653 5.629 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.534 -5.532 6.839 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -6.468 -6.740 7.809 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -6.340 -5.081 8.441 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -7.555 -5.470 7.201 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -5.740 -7.273 5.541 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.794 -6.015 4.854 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -5.054 -6.019 4.482 1.00 0.76 H new ATOM 246 N GLU A 16 -4.277 -3.035 7.921 1.00 0.55 N ATOM 247 CA GLU A 16 -3.959 -2.299 9.144 1.00 0.63 C ATOM 248 C GLU A 16 -4.268 -0.802 9.043 1.00 0.58 C ATOM 249 O GLU A 16 -4.896 -0.227 9.948 1.00 0.67 O ATOM 250 CB GLU A 16 -2.494 -2.491 9.509 1.00 0.82 C ATOM 251 CG GLU A 16 -2.137 -3.891 9.962 1.00 1.16 C ATOM 252 CD GLU A 16 -0.657 -4.048 10.208 1.00 1.67 C ATOM 253 OE1 GLU A 16 -0.048 -3.178 10.876 1.00 1.83 O ATOM 254 OE2 GLU A 16 -0.074 -5.057 9.769 1.00 2.43 O ATOM 0 H GLU A 16 -3.510 -3.616 7.582 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.600 -2.709 9.925 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -1.881 -2.235 8.645 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.235 -1.789 10.302 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -2.683 -4.126 10.876 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -2.457 -4.609 9.206 1.00 1.16 H new ATOM 261 N SER A 17 -3.881 -0.193 7.944 1.00 0.52 N ATOM 262 CA SER A 17 -4.029 1.243 7.779 1.00 0.62 C ATOM 263 C SER A 17 -5.462 1.656 7.396 1.00 0.70 C ATOM 264 O SER A 17 -5.838 2.821 7.553 1.00 0.94 O ATOM 265 CB SER A 17 -3.044 1.730 6.739 1.00 0.67 C ATOM 266 OG SER A 17 -1.738 1.242 7.024 1.00 1.26 O ATOM 0 H SER A 17 -3.459 -0.669 7.146 1.00 0.52 H new ATOM 0 HA SER A 17 -3.821 1.709 8.742 1.00 0.62 H new ATOM 0 HB2 SER A 17 -3.356 1.396 5.749 1.00 0.67 H new ATOM 0 HB3 SER A 17 -3.035 2.820 6.720 1.00 0.67 H new ATOM 0 HG SER A 17 -1.629 0.351 6.631 1.00 1.26 H new ATOM 272 N ALA A 18 -6.262 0.713 6.909 1.00 0.61 N ATOM 273 CA ALA A 18 -7.638 1.018 6.507 1.00 0.79 C ATOM 274 C ALA A 18 -8.514 1.228 7.730 1.00 0.97 C ATOM 275 O ALA A 18 -9.483 2.002 7.708 1.00 1.23 O ATOM 276 CB ALA A 18 -8.207 -0.089 5.632 1.00 0.82 C ATOM 0 H ALA A 18 -5.988 -0.261 6.782 1.00 0.61 H new ATOM 0 HA ALA A 18 -7.624 1.939 5.924 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -9.229 0.161 5.347 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -7.596 -0.195 4.736 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.204 -1.028 6.186 1.00 0.82 H new ATOM 282 N GLY A 19 -8.162 0.546 8.790 1.00 1.02 N ATOM 283 CA GLY A 19 -8.886 0.658 10.015 1.00 1.29 C ATOM 284 C GLY A 19 -8.871 -0.636 10.751 1.00 1.50 C ATOM 285 O GLY A 19 -9.928 -1.219 11.005 1.00 2.02 O ATOM 0 H GLY A 19 -7.370 -0.096 8.821 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -8.446 1.440 10.634 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -9.915 0.955 9.810 1.00 1.29 H new ATOM 289 N GLU A 20 -7.656 -1.105 11.069 1.00 1.87 N ATOM 290 CA GLU A 20 -7.430 -2.361 11.787 1.00 2.49 C ATOM 291 C GLU A 20 -7.835 -3.563 10.925 1.00 2.35 C ATOM 292 O GLU A 20 -8.067 -3.431 9.719 1.00 2.86 O ATOM 293 CB GLU A 20 -8.172 -2.363 13.137 1.00 3.34 C ATOM 294 CG GLU A 20 -7.721 -1.269 14.087 1.00 3.88 C ATOM 295 CD GLU A 20 -8.592 -1.181 15.304 1.00 4.57 C ATOM 296 OE1 GLU A 20 -8.432 -1.995 16.226 1.00 5.20 O ATOM 297 OE2 GLU A 20 -9.479 -0.307 15.353 1.00 4.79 O ATOM 0 H GLU A 20 -6.794 -0.614 10.831 1.00 1.87 H new ATOM 0 HA GLU A 20 -6.364 -2.447 11.996 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -9.241 -2.254 12.953 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -8.029 -3.331 13.618 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -6.691 -1.457 14.392 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -7.730 -0.312 13.566 1.00 3.88 H new ATOM 304 N THR A 21 -7.883 -4.716 11.528 1.00 2.33 N ATOM 305 CA THR A 21 -8.240 -5.942 10.870 1.00 2.61 C ATOM 306 C THR A 21 -9.740 -5.999 10.537 1.00 2.41 C ATOM 307 O THR A 21 -10.560 -6.491 11.313 1.00 3.04 O ATOM 308 CB THR A 21 -7.807 -7.115 11.753 1.00 3.66 C ATOM 309 OG1 THR A 21 -7.709 -6.641 13.119 1.00 4.09 O ATOM 310 CG2 THR A 21 -6.456 -7.659 11.303 1.00 4.35 C ATOM 0 H THR A 21 -7.669 -4.833 12.518 1.00 2.33 H new ATOM 0 HA THR A 21 -7.721 -6.001 9.913 1.00 2.61 H new ATOM 0 HB THR A 21 -8.539 -7.919 11.676 1.00 3.66 H new ATOM 0 HG1 THR A 21 -7.434 -7.379 13.702 1.00 4.09 H new ATOM 0 HG21 THR A 21 -6.167 -8.492 11.944 1.00 4.35 H new ATOM 0 HG22 THR A 21 -6.528 -8.003 10.271 1.00 4.35 H new ATOM 0 HG23 THR A 21 -5.706 -6.871 11.371 1.00 4.35 H new ATOM 318 N ASP A 22 -10.090 -5.340 9.454 1.00 2.19 N ATOM 319 CA ASP A 22 -11.462 -5.323 8.932 1.00 2.51 C ATOM 320 C ASP A 22 -11.852 -6.665 8.338 1.00 2.23 C ATOM 321 O ASP A 22 -12.970 -7.143 8.532 1.00 2.75 O ATOM 322 CB ASP A 22 -11.638 -4.216 7.880 1.00 3.10 C ATOM 323 CG ASP A 22 -13.013 -4.240 7.224 1.00 3.82 C ATOM 324 OD1 ASP A 22 -14.003 -3.847 7.875 1.00 4.46 O ATOM 325 OD2 ASP A 22 -13.120 -4.652 6.058 1.00 4.16 O ATOM 0 H ASP A 22 -9.433 -4.793 8.898 1.00 2.19 H new ATOM 0 HA ASP A 22 -12.122 -5.118 9.775 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -11.482 -3.245 8.351 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -10.872 -4.325 7.112 1.00 3.10 H new ATOM 330 N GLY A 23 -10.919 -7.279 7.649 1.00 2.01 N ATOM 331 CA GLY A 23 -11.191 -8.533 6.998 1.00 2.24 C ATOM 332 C GLY A 23 -11.811 -8.309 5.646 1.00 1.82 C ATOM 333 O GLY A 23 -13.023 -8.457 5.471 1.00 2.14 O ATOM 0 H GLY A 23 -9.969 -6.930 7.527 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -10.266 -9.100 6.890 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -11.861 -9.131 7.616 1.00 2.24 H new ATOM 337 N THR A 24 -11.006 -7.916 4.702 1.00 1.57 N ATOM 338 CA THR A 24 -11.469 -7.653 3.372 1.00 1.43 C ATOM 339 C THR A 24 -11.306 -8.887 2.457 1.00 1.45 C ATOM 340 O THR A 24 -10.814 -9.942 2.898 1.00 1.91 O ATOM 341 CB THR A 24 -10.714 -6.437 2.786 1.00 1.62 C ATOM 342 OG1 THR A 24 -9.312 -6.562 3.096 1.00 2.20 O ATOM 343 CG2 THR A 24 -11.235 -5.126 3.356 1.00 1.81 C ATOM 0 H THR A 24 -10.005 -7.768 4.834 1.00 1.57 H new ATOM 0 HA THR A 24 -12.534 -7.425 3.422 1.00 1.43 H new ATOM 0 HB THR A 24 -10.872 -6.424 1.708 1.00 1.62 H new ATOM 0 HG1 THR A 24 -8.826 -5.796 2.726 1.00 2.20 H new ATOM 0 HG21 THR A 24 -10.681 -4.294 2.921 1.00 1.81 H new ATOM 0 HG22 THR A 24 -12.293 -5.021 3.118 1.00 1.81 H new ATOM 0 HG23 THR A 24 -11.105 -5.122 4.438 1.00 1.81 H new ATOM 351 N ASP A 25 -11.672 -8.735 1.183 1.00 1.48 N ATOM 352 CA ASP A 25 -11.521 -9.795 0.163 1.00 1.62 C ATOM 353 C ASP A 25 -10.245 -9.531 -0.617 1.00 1.23 C ATOM 354 O ASP A 25 -10.050 -9.992 -1.744 1.00 1.29 O ATOM 355 CB ASP A 25 -12.757 -9.874 -0.795 1.00 2.15 C ATOM 356 CG ASP A 25 -12.955 -8.692 -1.765 1.00 2.70 C ATOM 357 OD1 ASP A 25 -13.434 -7.620 -1.329 1.00 3.20 O ATOM 358 OD2 ASP A 25 -12.558 -8.791 -2.952 1.00 3.10 O ATOM 0 H ASP A 25 -12.083 -7.875 0.821 1.00 1.48 H new ATOM 0 HA ASP A 25 -11.462 -10.761 0.664 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -12.674 -10.788 -1.384 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -13.655 -9.968 -0.185 1.00 2.15 H new ATOM 363 N LEU A 26 -9.338 -8.885 0.069 1.00 1.06 N ATOM 364 CA LEU A 26 -8.075 -8.410 -0.442 1.00 0.81 C ATOM 365 C LEU A 26 -7.037 -9.555 -0.432 1.00 0.84 C ATOM 366 O LEU A 26 -5.967 -9.430 0.140 1.00 1.12 O ATOM 367 CB LEU A 26 -7.611 -7.287 0.500 1.00 0.93 C ATOM 368 CG LEU A 26 -6.493 -6.374 0.018 1.00 0.93 C ATOM 369 CD1 LEU A 26 -7.003 -5.450 -1.068 1.00 1.12 C ATOM 370 CD2 LEU A 26 -5.922 -5.586 1.179 1.00 1.24 C ATOM 0 H LEU A 26 -9.467 -8.663 1.056 1.00 1.06 H new ATOM 0 HA LEU A 26 -8.178 -8.052 -1.467 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -8.476 -6.665 0.731 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -7.289 -7.746 1.435 1.00 0.93 H new ATOM 0 HG LEU A 26 -5.694 -6.984 -0.403 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -6.194 -4.802 -1.404 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -7.367 -6.042 -1.908 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -7.816 -4.840 -0.675 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -5.123 -4.937 0.820 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -6.708 -4.979 1.629 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -5.523 -6.274 1.925 1.00 1.24 H new ATOM 382 N SER A 27 -7.358 -10.653 -1.052 1.00 0.86 N ATOM 383 CA SER A 27 -6.445 -11.769 -1.114 1.00 0.94 C ATOM 384 C SER A 27 -6.334 -12.258 -2.558 1.00 1.11 C ATOM 385 O SER A 27 -7.314 -12.202 -3.318 1.00 1.82 O ATOM 386 CB SER A 27 -6.901 -12.886 -0.163 1.00 1.29 C ATOM 387 OG SER A 27 -5.950 -13.940 -0.090 1.00 1.78 O ATOM 0 H SER A 27 -8.248 -10.805 -1.526 1.00 0.86 H new ATOM 0 HA SER A 27 -5.454 -11.453 -0.787 1.00 0.94 H new ATOM 0 HB2 SER A 27 -7.062 -12.472 0.833 1.00 1.29 H new ATOM 0 HB3 SER A 27 -7.858 -13.283 -0.502 1.00 1.29 H new ATOM 0 HG SER A 27 -6.274 -14.631 0.525 1.00 1.78 H new ATOM 393 N GLY A 28 -5.152 -12.695 -2.940 1.00 1.06 N ATOM 394 CA GLY A 28 -4.917 -13.136 -4.296 1.00 1.30 C ATOM 395 C GLY A 28 -4.250 -12.039 -5.088 1.00 1.12 C ATOM 396 O GLY A 28 -3.304 -11.399 -4.597 1.00 1.42 O ATOM 0 H GLY A 28 -4.338 -12.754 -2.328 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -4.289 -14.027 -4.294 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -5.861 -13.412 -4.766 1.00 1.30 H new ATOM 400 N ASP A 29 -4.715 -11.785 -6.282 1.00 1.15 N ATOM 401 CA ASP A 29 -4.162 -10.691 -7.054 1.00 1.06 C ATOM 402 C ASP A 29 -5.053 -9.492 -6.898 1.00 0.95 C ATOM 403 O ASP A 29 -5.889 -9.190 -7.739 1.00 1.46 O ATOM 404 CB ASP A 29 -3.949 -11.018 -8.543 1.00 1.33 C ATOM 405 CG ASP A 29 -3.176 -9.912 -9.276 1.00 1.79 C ATOM 406 OD1 ASP A 29 -1.938 -9.972 -9.302 1.00 2.27 O ATOM 407 OD2 ASP A 29 -3.786 -8.985 -9.845 1.00 2.15 O ATOM 0 H ASP A 29 -5.462 -12.307 -6.740 1.00 1.15 H new ATOM 0 HA ASP A 29 -3.166 -10.489 -6.660 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -3.406 -11.959 -8.632 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -4.917 -11.162 -9.023 1.00 1.33 H new ATOM 412 N PHE A 30 -4.965 -8.886 -5.752 1.00 0.50 N ATOM 413 CA PHE A 30 -5.738 -7.695 -5.471 1.00 0.39 C ATOM 414 C PHE A 30 -5.027 -6.482 -6.020 1.00 0.32 C ATOM 415 O PHE A 30 -5.564 -5.394 -6.054 1.00 0.31 O ATOM 416 CB PHE A 30 -6.001 -7.544 -3.963 1.00 0.39 C ATOM 417 CG PHE A 30 -4.763 -7.492 -3.105 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.090 -6.306 -2.922 1.00 0.41 C ATOM 419 CD2 PHE A 30 -4.272 -8.634 -2.495 1.00 0.47 C ATOM 420 CE1 PHE A 30 -2.956 -6.258 -2.151 1.00 0.48 C ATOM 421 CE2 PHE A 30 -3.141 -8.588 -1.720 1.00 0.55 C ATOM 422 CZ PHE A 30 -2.505 -7.394 -1.515 1.00 0.53 C ATOM 0 H PHE A 30 -4.364 -9.193 -4.987 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.707 -7.787 -5.962 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.578 -6.634 -3.799 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.620 -8.378 -3.632 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.458 -5.405 -3.390 1.00 0.41 H new ATOM 0 HD2 PHE A 30 -4.786 -9.574 -2.631 1.00 0.47 H new ATOM 0 HE1 PHE A 30 -2.416 -5.329 -2.043 1.00 0.48 H new ATOM 0 HE2 PHE A 30 -2.754 -9.492 -1.273 1.00 0.55 H new ATOM 0 HZ PHE A 30 -1.651 -7.342 -0.856 1.00 0.53 H new ATOM 432 N LEU A 31 -3.789 -6.700 -6.432 1.00 0.33 N ATOM 433 CA LEU A 31 -2.921 -5.667 -6.972 1.00 0.32 C ATOM 434 C LEU A 31 -3.546 -4.918 -8.141 1.00 0.28 C ATOM 435 O LEU A 31 -3.263 -3.747 -8.338 1.00 0.33 O ATOM 436 CB LEU A 31 -1.525 -6.201 -7.361 1.00 0.41 C ATOM 437 CG LEU A 31 -0.589 -6.696 -6.225 1.00 0.61 C ATOM 438 CD1 LEU A 31 -1.117 -7.931 -5.509 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.806 -6.947 -6.764 1.00 0.98 C ATOM 0 H LEU A 31 -3.350 -7.620 -6.400 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.790 -4.956 -6.156 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.666 -7.025 -8.060 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.004 -5.411 -7.902 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.553 -5.901 -5.480 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.417 -8.225 -4.727 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -2.086 -7.707 -5.063 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -1.227 -8.747 -6.224 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.451 -7.293 -5.957 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.763 -7.706 -7.545 1.00 0.98 H new ATOM 0 HD23 LEU A 31 1.208 -6.022 -7.178 1.00 0.98 H new ATOM 451 N ASP A 32 -4.401 -5.593 -8.882 1.00 0.32 N ATOM 452 CA ASP A 32 -5.019 -5.012 -10.068 1.00 0.43 C ATOM 453 C ASP A 32 -6.400 -4.436 -9.742 1.00 0.36 C ATOM 454 O ASP A 32 -7.062 -3.841 -10.594 1.00 0.42 O ATOM 455 CB ASP A 32 -5.132 -6.091 -11.151 1.00 0.69 C ATOM 456 CG ASP A 32 -5.543 -5.567 -12.505 1.00 1.22 C ATOM 457 OD1 ASP A 32 -4.755 -4.834 -13.140 1.00 1.74 O ATOM 458 OD2 ASP A 32 -6.706 -5.809 -12.908 1.00 1.99 O ATOM 0 H ASP A 32 -4.689 -6.552 -8.686 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.397 -4.193 -10.429 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -4.171 -6.597 -11.246 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -5.856 -6.839 -10.828 1.00 0.69 H new ATOM 463 N LEU A 33 -6.819 -4.595 -8.509 1.00 0.32 N ATOM 464 CA LEU A 33 -8.113 -4.118 -8.081 1.00 0.33 C ATOM 465 C LEU A 33 -8.037 -2.655 -7.692 1.00 0.31 C ATOM 466 O LEU A 33 -7.043 -2.205 -7.134 1.00 0.45 O ATOM 467 CB LEU A 33 -8.656 -4.949 -6.918 1.00 0.40 C ATOM 468 CG LEU A 33 -8.847 -6.447 -7.183 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.438 -7.119 -5.965 1.00 0.57 C ATOM 470 CD2 LEU A 33 -9.725 -6.682 -8.405 1.00 0.58 C ATOM 0 H LEU A 33 -6.277 -5.056 -7.778 1.00 0.32 H new ATOM 0 HA LEU A 33 -8.801 -4.224 -8.920 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.979 -4.835 -6.071 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.616 -4.530 -6.617 1.00 0.40 H new ATOM 0 HG LEU A 33 -7.870 -6.885 -7.387 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.569 -8.183 -6.164 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.767 -6.989 -5.116 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.405 -6.671 -5.735 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -9.843 -7.753 -8.568 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -10.704 -6.230 -8.242 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.258 -6.231 -9.281 1.00 0.58 H new ATOM 482 N ARG A 34 -9.074 -1.930 -7.990 1.00 0.28 N ATOM 483 CA ARG A 34 -9.137 -0.522 -7.698 1.00 0.31 C ATOM 484 C ARG A 34 -9.464 -0.278 -6.241 1.00 0.29 C ATOM 485 O ARG A 34 -10.449 -0.823 -5.718 1.00 0.34 O ATOM 486 CB ARG A 34 -10.186 0.174 -8.549 1.00 0.48 C ATOM 487 CG ARG A 34 -9.905 0.216 -10.032 1.00 0.73 C ATOM 488 CD ARG A 34 -11.003 0.989 -10.724 1.00 1.02 C ATOM 489 NE ARG A 34 -10.785 1.148 -12.157 1.00 1.90 N ATOM 490 CZ ARG A 34 -11.329 2.123 -12.897 1.00 2.41 C ATOM 491 NH1 ARG A 34 -12.063 3.085 -12.317 1.00 2.17 N ATOM 492 NH2 ARG A 34 -11.111 2.163 -14.202 1.00 3.51 N ATOM 0 H ARG A 34 -9.908 -2.299 -8.446 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.153 -0.113 -7.926 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -11.143 -0.325 -8.393 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.298 1.197 -8.190 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.940 0.687 -10.218 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.849 -0.796 -10.432 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -11.953 0.479 -10.563 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.088 1.974 -10.265 1.00 1.02 H new ATOM 0 HE ARG A 34 -10.180 0.474 -12.626 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -12.209 3.076 -11.308 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -12.475 3.825 -12.886 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -10.529 1.451 -14.644 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -11.525 2.905 -14.766 1.00 3.51 H new ATOM 506 N PHE A 35 -8.647 0.539 -5.590 1.00 0.30 N ATOM 507 CA PHE A 35 -8.888 0.983 -4.215 1.00 0.34 C ATOM 508 C PHE A 35 -10.310 1.519 -4.015 1.00 0.38 C ATOM 509 O PHE A 35 -10.928 1.269 -2.970 1.00 0.41 O ATOM 510 CB PHE A 35 -7.873 2.029 -3.765 1.00 0.38 C ATOM 511 CG PHE A 35 -6.487 1.502 -3.527 1.00 0.37 C ATOM 512 CD1 PHE A 35 -6.227 0.688 -2.446 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.446 1.845 -4.360 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.959 0.221 -2.202 1.00 0.42 C ATOM 515 CE2 PHE A 35 -4.169 1.386 -4.118 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.926 0.574 -3.036 1.00 0.44 C ATOM 0 H PHE A 35 -7.793 0.917 -5.999 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.769 0.096 -3.593 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.823 2.814 -4.519 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -8.233 2.492 -2.846 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -7.032 0.413 -1.781 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.632 2.481 -5.213 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.774 -0.423 -1.355 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.360 1.664 -4.778 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.926 0.215 -2.842 1.00 0.44 H new ATOM 526 N GLU A 36 -10.823 2.247 -5.018 1.00 0.44 N ATOM 527 CA GLU A 36 -12.182 2.805 -4.971 1.00 0.52 C ATOM 528 C GLU A 36 -13.236 1.709 -4.726 1.00 0.52 C ATOM 529 O GLU A 36 -14.182 1.899 -3.969 1.00 0.58 O ATOM 530 CB GLU A 36 -12.533 3.588 -6.271 1.00 0.64 C ATOM 531 CG GLU A 36 -12.644 2.732 -7.540 1.00 1.23 C ATOM 532 CD GLU A 36 -13.095 3.513 -8.756 1.00 1.60 C ATOM 533 OE1 GLU A 36 -14.270 3.936 -8.815 1.00 1.97 O ATOM 534 OE2 GLU A 36 -12.278 3.737 -9.672 1.00 2.06 O ATOM 0 H GLU A 36 -10.314 2.464 -5.875 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.200 3.502 -4.133 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.479 4.108 -6.119 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -11.772 4.352 -6.433 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.675 2.277 -7.748 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -13.346 1.918 -7.360 1.00 1.23 H new ATOM 541 N ASP A 37 -13.015 0.551 -5.317 1.00 0.49 N ATOM 542 CA ASP A 37 -13.985 -0.531 -5.294 1.00 0.55 C ATOM 543 C ASP A 37 -13.839 -1.380 -4.044 1.00 0.55 C ATOM 544 O ASP A 37 -14.798 -1.990 -3.579 1.00 0.66 O ATOM 545 CB ASP A 37 -13.837 -1.390 -6.557 1.00 0.62 C ATOM 546 CG ASP A 37 -14.852 -2.509 -6.648 1.00 0.74 C ATOM 547 OD1 ASP A 37 -16.013 -2.252 -6.998 1.00 0.92 O ATOM 548 OD2 ASP A 37 -14.510 -3.672 -6.361 1.00 0.86 O ATOM 0 H ASP A 37 -12.159 0.332 -5.827 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.984 -0.096 -5.276 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.933 -0.751 -7.435 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.834 -1.817 -6.581 1.00 0.62 H new ATOM 553 N ILE A 38 -12.652 -1.386 -3.474 1.00 0.47 N ATOM 554 CA ILE A 38 -12.391 -2.186 -2.279 1.00 0.51 C ATOM 555 C ILE A 38 -12.518 -1.360 -0.992 1.00 0.53 C ATOM 556 O ILE A 38 -12.131 -1.803 0.101 1.00 0.59 O ATOM 557 CB ILE A 38 -11.020 -2.918 -2.333 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.878 -1.907 -2.542 1.00 0.44 C ATOM 559 CG2 ILE A 38 -11.029 -3.975 -3.435 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.492 -2.513 -2.601 1.00 0.47 C ATOM 0 H ILE A 38 -11.851 -0.851 -3.811 1.00 0.47 H new ATOM 0 HA ILE A 38 -13.165 -2.953 -2.262 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.851 -3.422 -1.381 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -10.060 -1.362 -3.468 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.905 -1.178 -1.732 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -10.064 -4.480 -3.462 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.814 -4.704 -3.234 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -11.216 -3.497 -4.396 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.756 -1.723 -2.750 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -8.282 -3.033 -1.666 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -8.439 -3.220 -3.429 1.00 0.47 H new ATOM 572 N GLY A 39 -13.117 -0.189 -1.124 1.00 0.54 N ATOM 573 CA GLY A 39 -13.380 0.672 0.012 1.00 0.61 C ATOM 574 C GLY A 39 -12.135 1.250 0.643 1.00 0.55 C ATOM 575 O GLY A 39 -11.997 1.254 1.872 1.00 0.69 O ATOM 0 H GLY A 39 -13.433 0.189 -2.017 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -14.027 1.489 -0.306 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.928 0.106 0.765 1.00 0.61 H new ATOM 579 N TYR A 40 -11.223 1.700 -0.169 1.00 0.45 N ATOM 580 CA TYR A 40 -10.018 2.326 0.312 1.00 0.48 C ATOM 581 C TYR A 40 -9.991 3.769 -0.048 1.00 0.56 C ATOM 582 O TYR A 40 -9.933 4.122 -1.226 1.00 0.64 O ATOM 583 CB TYR A 40 -8.762 1.633 -0.204 1.00 0.43 C ATOM 584 CG TYR A 40 -8.330 0.451 0.611 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.165 -0.641 0.739 1.00 0.73 C ATOM 586 CD2 TYR A 40 -7.091 0.407 1.225 1.00 0.74 C ATOM 587 CE1 TYR A 40 -8.788 -1.742 1.455 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.696 -0.687 1.950 1.00 0.99 C ATOM 589 CZ TYR A 40 -7.526 -1.691 2.161 1.00 1.11 C ATOM 590 OH TYR A 40 -7.136 -2.865 2.775 1.00 1.40 O ATOM 0 H TYR A 40 -11.290 1.645 -1.185 1.00 0.45 H new ATOM 0 HA TYR A 40 -10.025 2.230 1.398 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.936 1.308 -1.230 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.948 2.357 -0.233 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -10.135 -0.625 0.264 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.423 1.250 1.131 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -9.412 -2.623 1.493 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.695 -0.728 2.353 1.00 0.99 H new ATOM 0 HH TYR A 40 -7.900 -3.476 2.828 1.00 1.40 H new ATOM 600 N ASP A 41 -10.065 4.600 0.951 1.00 0.74 N ATOM 601 CA ASP A 41 -9.993 6.030 0.753 1.00 0.95 C ATOM 602 C ASP A 41 -8.567 6.446 0.658 1.00 1.01 C ATOM 603 O ASP A 41 -7.683 5.746 1.170 1.00 1.89 O ATOM 604 CB ASP A 41 -10.597 6.800 1.904 1.00 1.15 C ATOM 605 CG ASP A 41 -12.081 6.701 2.056 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.811 7.482 1.409 1.00 2.07 O ATOM 607 OD2 ASP A 41 -12.553 5.895 2.891 1.00 2.16 O ATOM 0 H ASP A 41 -10.176 4.314 1.924 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.548 6.249 -0.159 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -10.134 6.455 2.828 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.333 7.851 1.789 1.00 1.15 H new ATOM 612 N SER A 42 -8.346 7.578 0.031 1.00 0.71 N ATOM 613 CA SER A 42 -7.034 8.178 -0.117 1.00 0.66 C ATOM 614 C SER A 42 -6.248 8.247 1.200 1.00 0.49 C ATOM 615 O SER A 42 -5.067 7.955 1.212 1.00 0.45 O ATOM 616 CB SER A 42 -7.148 9.566 -0.697 1.00 0.86 C ATOM 617 OG SER A 42 -8.564 9.937 -0.935 1.00 1.19 O ATOM 0 H SER A 42 -9.091 8.124 -0.403 1.00 0.71 H new ATOM 0 HA SER A 42 -6.482 7.528 -0.796 1.00 0.66 H new ATOM 0 HB2 SER A 42 -6.691 10.285 -0.017 1.00 0.86 H new ATOM 0 HB3 SER A 42 -6.594 9.617 -1.634 1.00 0.86 H new ATOM 622 N LEU A 43 -6.909 8.615 2.304 1.00 0.49 N ATOM 623 CA LEU A 43 -6.217 8.711 3.597 1.00 0.49 C ATOM 624 C LEU A 43 -5.659 7.376 4.016 1.00 0.42 C ATOM 625 O LEU A 43 -4.471 7.266 4.230 1.00 0.41 O ATOM 626 CB LEU A 43 -7.117 9.244 4.705 1.00 0.65 C ATOM 627 CG LEU A 43 -7.558 10.691 4.615 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.493 10.989 5.766 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.354 11.622 4.663 1.00 1.03 C ATOM 0 H LEU A 43 -7.902 8.847 2.331 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.403 9.420 3.449 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.011 8.622 4.740 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.598 9.109 5.654 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.073 10.854 3.668 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -8.817 12.028 5.712 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.362 10.334 5.707 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -7.974 10.820 6.709 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -6.691 12.656 4.597 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -5.817 11.474 5.600 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -5.691 11.403 3.826 1.00 1.03 H new ATOM 641 N ALA A 44 -6.504 6.358 4.082 1.00 0.40 N ATOM 642 CA ALA A 44 -6.076 5.010 4.459 1.00 0.38 C ATOM 643 C ALA A 44 -5.033 4.478 3.480 1.00 0.32 C ATOM 644 O ALA A 44 -4.093 3.786 3.864 1.00 0.33 O ATOM 645 CB ALA A 44 -7.271 4.071 4.505 1.00 0.43 C ATOM 0 H ALA A 44 -7.500 6.437 3.878 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.625 5.062 5.450 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -6.938 3.072 4.787 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.991 4.434 5.239 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.742 4.033 3.523 1.00 0.43 H new ATOM 651 N LEU A 45 -5.195 4.835 2.229 1.00 0.30 N ATOM 652 CA LEU A 45 -4.295 4.440 1.165 1.00 0.28 C ATOM 653 C LEU A 45 -2.902 5.088 1.403 1.00 0.28 C ATOM 654 O LEU A 45 -1.883 4.393 1.460 1.00 0.29 O ATOM 655 CB LEU A 45 -4.933 4.883 -0.171 1.00 0.30 C ATOM 656 CG LEU A 45 -4.419 4.288 -1.491 1.00 0.30 C ATOM 657 CD1 LEU A 45 -5.268 4.806 -2.622 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.958 4.600 -1.759 1.00 0.37 C ATOM 0 H LEU A 45 -5.969 5.419 1.913 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.142 3.361 1.139 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -6.000 4.668 -0.110 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.829 5.966 -0.239 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.493 3.203 -1.412 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.912 4.390 -3.564 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -6.305 4.510 -2.464 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -5.202 5.893 -2.658 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.658 4.151 -2.706 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.820 5.680 -1.809 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.346 4.193 -0.954 1.00 0.37 H new ATOM 670 N MET A 46 -2.880 6.405 1.590 1.00 0.30 N ATOM 671 CA MET A 46 -1.632 7.147 1.851 1.00 0.34 C ATOM 672 C MET A 46 -1.019 6.713 3.162 1.00 0.34 C ATOM 673 O MET A 46 0.192 6.603 3.294 1.00 0.40 O ATOM 674 CB MET A 46 -1.871 8.666 1.908 1.00 0.39 C ATOM 675 CG MET A 46 -2.281 9.306 0.598 1.00 0.45 C ATOM 676 SD MET A 46 -2.542 11.089 0.742 1.00 0.68 S ATOM 677 CE MET A 46 -3.912 11.150 1.894 1.00 1.44 C ATOM 0 H MET A 46 -3.714 6.991 1.567 1.00 0.30 H new ATOM 0 HA MET A 46 -0.956 6.924 1.025 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.644 8.868 2.650 1.00 0.39 H new ATOM 0 HB3 MET A 46 -0.958 9.148 2.259 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.512 9.115 -0.151 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.198 8.837 0.241 1.00 0.45 H new ATOM 0 HE1 MET A 46 -4.220 12.186 2.039 1.00 1.44 H new ATOM 0 HE2 MET A 46 -4.748 10.575 1.496 1.00 1.44 H new ATOM 0 HE3 MET A 46 -3.603 10.726 2.850 1.00 1.44 H new ATOM 687 N GLU A 47 -1.870 6.443 4.119 1.00 0.32 N ATOM 688 CA GLU A 47 -1.448 6.059 5.443 1.00 0.37 C ATOM 689 C GLU A 47 -0.816 4.660 5.415 1.00 0.32 C ATOM 690 O GLU A 47 0.081 4.355 6.213 1.00 0.33 O ATOM 691 CB GLU A 47 -2.635 6.128 6.383 1.00 0.45 C ATOM 692 CG GLU A 47 -2.261 6.256 7.830 1.00 0.85 C ATOM 693 CD GLU A 47 -3.452 6.394 8.717 1.00 1.22 C ATOM 694 OE1 GLU A 47 -4.089 7.470 8.696 1.00 1.82 O ATOM 695 OE2 GLU A 47 -3.763 5.426 9.471 1.00 1.89 O ATOM 0 H GLU A 47 -2.882 6.484 4.001 1.00 0.32 H new ATOM 0 HA GLU A 47 -0.685 6.747 5.806 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.258 6.977 6.103 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.241 5.231 6.253 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.686 5.381 8.132 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -1.613 7.123 7.959 1.00 0.85 H new ATOM 702 N THR A 48 -1.272 3.837 4.473 1.00 0.31 N ATOM 703 CA THR A 48 -0.681 2.532 4.217 1.00 0.30 C ATOM 704 C THR A 48 0.764 2.733 3.787 1.00 0.29 C ATOM 705 O THR A 48 1.694 2.127 4.357 1.00 0.32 O ATOM 706 CB THR A 48 -1.449 1.810 3.083 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.776 1.471 3.514 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.707 0.566 2.613 1.00 0.33 C ATOM 0 H THR A 48 -2.062 4.059 3.867 1.00 0.31 H new ATOM 0 HA THR A 48 -0.733 1.926 5.121 1.00 0.30 H new ATOM 0 HB THR A 48 -1.518 2.495 2.238 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.366 2.245 3.397 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.274 0.083 1.817 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.277 0.849 2.238 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.592 -0.126 3.447 1.00 0.33 H new ATOM 716 N ALA A 49 0.935 3.594 2.785 1.00 0.29 N ATOM 717 CA ALA A 49 2.234 3.929 2.269 1.00 0.30 C ATOM 718 C ALA A 49 3.110 4.453 3.387 1.00 0.27 C ATOM 719 O ALA A 49 4.214 3.994 3.555 1.00 0.27 O ATOM 720 CB ALA A 49 2.113 4.952 1.151 1.00 0.36 C ATOM 0 H ALA A 49 0.166 4.073 2.316 1.00 0.29 H new ATOM 0 HA ALA A 49 2.696 3.032 1.856 1.00 0.30 H new ATOM 0 HB1 ALA A 49 3.105 5.195 0.771 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.507 4.540 0.345 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.640 5.856 1.535 1.00 0.36 H new ATOM 726 N ALA A 50 2.557 5.359 4.187 1.00 0.29 N ATOM 727 CA ALA A 50 3.244 5.965 5.334 1.00 0.31 C ATOM 728 C ALA A 50 3.744 4.926 6.330 1.00 0.30 C ATOM 729 O ALA A 50 4.855 5.046 6.870 1.00 0.32 O ATOM 730 CB ALA A 50 2.318 6.924 6.030 1.00 0.39 C ATOM 0 H ALA A 50 1.605 5.701 4.059 1.00 0.29 H new ATOM 0 HA ALA A 50 4.116 6.492 4.947 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.831 7.372 6.881 1.00 0.39 H new ATOM 0 HB2 ALA A 50 2.016 7.707 5.335 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.435 6.389 6.379 1.00 0.39 H new ATOM 736 N ARG A 51 2.932 3.909 6.567 1.00 0.32 N ATOM 737 CA ARG A 51 3.283 2.838 7.478 1.00 0.37 C ATOM 738 C ARG A 51 4.504 2.103 6.934 1.00 0.32 C ATOM 739 O ARG A 51 5.461 1.832 7.661 1.00 0.36 O ATOM 740 CB ARG A 51 2.077 1.890 7.673 1.00 0.51 C ATOM 741 CG ARG A 51 2.304 0.747 8.661 1.00 1.04 C ATOM 742 CD ARG A 51 1.013 -0.035 8.929 1.00 1.15 C ATOM 743 NE ARG A 51 -0.027 0.834 9.501 1.00 1.91 N ATOM 744 CZ ARG A 51 -0.625 0.655 10.687 1.00 2.60 C ATOM 745 NH1 ARG A 51 -0.515 -0.503 11.335 1.00 2.86 N ATOM 746 NH2 ARG A 51 -1.392 1.613 11.184 1.00 3.47 N ATOM 0 H ARG A 51 2.014 3.805 6.134 1.00 0.32 H new ATOM 0 HA ARG A 51 3.536 3.244 8.458 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.224 2.478 8.011 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.808 1.465 6.706 1.00 0.51 H new ATOM 0 HG2 ARG A 51 3.064 0.072 8.268 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.688 1.148 9.599 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.652 -0.475 8.000 1.00 1.15 H new ATOM 0 HD3 ARG A 51 1.219 -0.858 9.613 1.00 1.15 H new ATOM 0 HE ARG A 51 -0.317 1.641 8.948 1.00 1.91 H new ATOM 0 HH11 ARG A 51 0.029 -1.265 10.929 1.00 2.86 H new ATOM 0 HH12 ARG A 51 -0.974 -0.628 12.237 1.00 2.86 H new ATOM 0 HH21 ARG A 51 -1.525 2.481 10.665 1.00 3.47 H new ATOM 0 HH22 ARG A 51 -1.850 1.483 12.086 1.00 3.47 H new ATOM 760 N LEU A 52 4.476 1.814 5.648 1.00 0.27 N ATOM 761 CA LEU A 52 5.596 1.178 4.985 1.00 0.25 C ATOM 762 C LEU A 52 6.808 2.126 4.886 1.00 0.21 C ATOM 763 O LEU A 52 7.954 1.674 4.963 1.00 0.23 O ATOM 764 CB LEU A 52 5.192 0.606 3.620 1.00 0.29 C ATOM 765 CG LEU A 52 4.100 -0.474 3.657 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.767 -0.957 2.255 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.537 -1.648 4.528 1.00 0.44 C ATOM 0 H LEU A 52 3.683 2.012 5.038 1.00 0.27 H new ATOM 0 HA LEU A 52 5.907 0.334 5.600 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.848 1.425 2.989 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.078 0.187 3.144 1.00 0.29 H new ATOM 0 HG LEU A 52 3.203 -0.031 4.090 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.991 -1.721 2.308 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.410 -0.119 1.657 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.660 -1.378 1.793 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.751 -2.403 4.542 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.450 -2.083 4.121 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.723 -1.298 5.544 1.00 0.44 H new ATOM 779 N GLU A 53 6.537 3.438 4.732 1.00 0.19 N ATOM 780 CA GLU A 53 7.580 4.473 4.685 1.00 0.19 C ATOM 781 C GLU A 53 8.434 4.418 5.918 1.00 0.23 C ATOM 782 O GLU A 53 9.638 4.226 5.829 1.00 0.26 O ATOM 783 CB GLU A 53 7.004 5.903 4.549 1.00 0.22 C ATOM 784 CG GLU A 53 6.296 6.219 3.241 1.00 0.25 C ATOM 785 CD GLU A 53 5.834 7.664 3.165 1.00 0.33 C ATOM 786 OE1 GLU A 53 6.634 8.531 2.763 1.00 0.38 O ATOM 787 OE2 GLU A 53 4.683 7.965 3.501 1.00 0.49 O ATOM 0 H GLU A 53 5.590 3.805 4.637 1.00 0.19 H new ATOM 0 HA GLU A 53 8.175 4.260 3.797 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.303 6.069 5.367 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.819 6.615 4.678 1.00 0.22 H new ATOM 0 HG2 GLU A 53 6.968 6.011 2.408 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.436 5.559 3.128 1.00 0.25 H new ATOM 794 N SER A 54 7.802 4.570 7.060 1.00 0.31 N ATOM 795 CA SER A 54 8.487 4.561 8.329 1.00 0.40 C ATOM 796 C SER A 54 9.133 3.186 8.631 1.00 0.36 C ATOM 797 O SER A 54 10.250 3.112 9.158 1.00 0.39 O ATOM 798 CB SER A 54 7.506 4.958 9.419 1.00 0.53 C ATOM 799 OG SER A 54 6.842 6.177 9.072 1.00 1.17 O ATOM 0 H SER A 54 6.793 4.704 7.133 1.00 0.31 H new ATOM 0 HA SER A 54 9.304 5.281 8.291 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.772 4.165 9.563 1.00 0.53 H new ATOM 0 HB3 SER A 54 8.033 5.080 10.365 1.00 0.53 H new ATOM 0 HG SER A 54 6.090 5.981 8.475 1.00 1.17 H new ATOM 805 N ARG A 55 8.418 2.115 8.303 1.00 0.35 N ATOM 806 CA ARG A 55 8.885 0.750 8.557 1.00 0.37 C ATOM 807 C ARG A 55 10.116 0.369 7.719 1.00 0.31 C ATOM 808 O ARG A 55 11.146 -0.048 8.261 1.00 0.36 O ATOM 809 CB ARG A 55 7.738 -0.253 8.327 1.00 0.48 C ATOM 810 CG ARG A 55 8.119 -1.722 8.476 1.00 0.61 C ATOM 811 CD ARG A 55 6.905 -2.614 8.304 1.00 0.85 C ATOM 812 NE ARG A 55 7.239 -4.043 8.313 1.00 1.35 N ATOM 813 CZ ARG A 55 6.383 -5.031 7.973 1.00 2.03 C ATOM 814 NH1 ARG A 55 5.095 -4.763 7.770 1.00 2.37 N ATOM 815 NH2 ARG A 55 6.810 -6.282 7.890 1.00 2.81 N ATOM 0 H ARG A 55 7.503 2.164 7.856 1.00 0.35 H new ATOM 0 HA ARG A 55 9.200 0.710 9.600 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.935 -0.030 9.030 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.337 -0.098 7.325 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.875 -1.983 7.736 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.563 -1.889 9.457 1.00 0.61 H new ATOM 0 HD2 ARG A 55 6.193 -2.408 9.103 1.00 0.85 H new ATOM 0 HD3 ARG A 55 6.410 -2.368 7.365 1.00 0.85 H new ATOM 0 HE ARG A 55 8.182 -4.308 8.595 1.00 1.35 H new ATOM 0 HH11 ARG A 55 4.751 -3.808 7.871 1.00 2.37 H new ATOM 0 HH12 ARG A 55 4.452 -5.512 7.513 1.00 2.37 H new ATOM 0 HH21 ARG A 55 7.787 -6.501 8.083 1.00 2.81 H new ATOM 0 HH22 ARG A 55 6.162 -7.026 7.633 1.00 2.81 H new ATOM 829 N TYR A 56 10.021 0.537 6.414 1.00 0.28 N ATOM 830 CA TYR A 56 11.071 0.075 5.519 1.00 0.31 C ATOM 831 C TYR A 56 12.034 1.153 5.095 1.00 0.33 C ATOM 832 O TYR A 56 13.139 0.852 4.667 1.00 0.43 O ATOM 833 CB TYR A 56 10.488 -0.623 4.296 1.00 0.34 C ATOM 834 CG TYR A 56 9.869 -1.960 4.596 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.674 -3.063 4.840 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.493 -2.126 4.633 1.00 0.45 C ATOM 837 CE1 TYR A 56 10.133 -4.297 5.113 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.936 -3.358 4.902 1.00 0.57 C ATOM 839 CZ TYR A 56 8.769 -4.448 5.145 1.00 0.66 C ATOM 840 OH TYR A 56 8.234 -5.689 5.404 1.00 0.80 O ATOM 0 H TYR A 56 9.233 0.987 5.949 1.00 0.28 H new ATOM 0 HA TYR A 56 11.650 -0.641 6.103 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.734 0.023 3.846 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.277 -0.756 3.555 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.748 -2.950 4.815 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.849 -1.279 4.449 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.778 -5.143 5.301 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.863 -3.477 4.924 1.00 0.57 H new ATOM 0 HH TYR A 56 7.693 -5.978 4.639 1.00 0.80 H new ATOM 850 N GLY A 57 11.644 2.388 5.203 1.00 0.31 N ATOM 851 CA GLY A 57 12.525 3.447 4.793 1.00 0.38 C ATOM 852 C GLY A 57 12.296 3.826 3.356 1.00 0.38 C ATOM 853 O GLY A 57 13.118 3.524 2.475 1.00 0.53 O ATOM 0 H GLY A 57 10.738 2.687 5.565 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.370 4.318 5.430 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.560 3.134 4.928 1.00 0.38 H new ATOM 857 N VAL A 58 11.161 4.433 3.103 1.00 0.37 N ATOM 858 CA VAL A 58 10.805 4.925 1.784 1.00 0.37 C ATOM 859 C VAL A 58 10.188 6.304 1.927 1.00 0.34 C ATOM 860 O VAL A 58 10.013 6.790 3.055 1.00 0.33 O ATOM 861 CB VAL A 58 9.851 3.987 0.944 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.428 2.608 0.768 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.466 3.891 1.540 1.00 0.33 C ATOM 0 H VAL A 58 10.448 4.603 3.812 1.00 0.37 H new ATOM 0 HA VAL A 58 11.733 4.954 1.213 1.00 0.37 H new ATOM 0 HB VAL A 58 9.766 4.455 -0.037 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.739 1.997 0.185 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.383 2.677 0.246 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.581 2.150 1.745 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.850 3.235 0.925 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.532 3.486 2.550 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.016 4.883 1.576 1.00 0.33 H new ATOM 873 N SER A 59 9.866 6.921 0.830 1.00 0.37 N ATOM 874 CA SER A 59 9.265 8.216 0.830 1.00 0.41 C ATOM 875 C SER A 59 8.240 8.216 -0.299 1.00 0.38 C ATOM 876 O SER A 59 8.596 8.061 -1.471 1.00 0.47 O ATOM 877 CB SER A 59 10.358 9.279 0.594 1.00 0.56 C ATOM 878 OG SER A 59 9.917 10.596 0.915 1.00 1.54 O ATOM 0 H SER A 59 10.016 6.532 -0.101 1.00 0.37 H new ATOM 0 HA SER A 59 8.780 8.447 1.778 1.00 0.41 H new ATOM 0 HB2 SER A 59 11.233 9.035 1.196 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.671 9.248 -0.450 1.00 0.56 H new ATOM 0 HG SER A 59 10.643 11.233 0.751 1.00 1.54 H new ATOM 884 N ILE A 60 6.979 8.283 0.058 1.00 0.31 N ATOM 885 CA ILE A 60 5.911 8.233 -0.926 1.00 0.31 C ATOM 886 C ILE A 60 5.230 9.590 -1.044 1.00 0.34 C ATOM 887 O ILE A 60 4.610 10.063 -0.078 1.00 0.40 O ATOM 888 CB ILE A 60 4.839 7.147 -0.578 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.483 5.758 -0.425 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.731 7.106 -1.636 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.237 5.278 -1.656 1.00 0.59 C ATOM 0 H ILE A 60 6.662 8.373 1.023 1.00 0.31 H new ATOM 0 HA ILE A 60 6.371 7.965 -1.877 1.00 0.31 H new ATOM 0 HB ILE A 60 4.392 7.424 0.377 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.170 5.780 0.421 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.704 5.034 -0.185 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.000 6.343 -1.368 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.239 8.077 -1.686 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.164 6.869 -2.608 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.659 4.292 -1.463 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.553 5.220 -2.502 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.040 5.978 -1.886 1.00 0.59 H new ATOM 903 N PRO A 61 5.348 10.247 -2.206 1.00 0.37 N ATOM 904 CA PRO A 61 4.676 11.520 -2.458 1.00 0.45 C ATOM 905 C PRO A 61 3.151 11.329 -2.456 1.00 0.41 C ATOM 906 O PRO A 61 2.620 10.465 -3.180 1.00 0.35 O ATOM 907 CB PRO A 61 5.167 11.922 -3.860 1.00 0.54 C ATOM 908 CG PRO A 61 6.375 11.090 -4.107 1.00 0.56 C ATOM 909 CD PRO A 61 6.154 9.815 -3.359 1.00 0.43 C ATOM 0 HA PRO A 61 4.895 12.273 -1.701 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.401 11.736 -4.613 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.406 12.985 -3.903 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.507 10.900 -5.172 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.276 11.596 -3.759 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.629 9.077 -3.965 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.095 9.361 -3.047 1.00 0.43 H new ATOM 917 N ASP A 62 2.464 12.115 -1.638 1.00 0.51 N ATOM 918 CA ASP A 62 0.998 12.017 -1.450 1.00 0.55 C ATOM 919 C ASP A 62 0.211 12.195 -2.744 1.00 0.45 C ATOM 920 O ASP A 62 -0.857 11.623 -2.894 1.00 0.46 O ATOM 921 CB ASP A 62 0.465 12.987 -0.372 1.00 0.77 C ATOM 922 CG ASP A 62 0.507 14.447 -0.773 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.462 14.936 -1.394 1.00 1.99 O ATOM 924 OD2 ASP A 62 1.512 15.131 -0.445 1.00 1.64 O ATOM 0 H ASP A 62 2.898 12.847 -1.077 1.00 0.51 H new ATOM 0 HA ASP A 62 0.836 10.997 -1.101 1.00 0.55 H new ATOM 0 HB2 ASP A 62 -0.564 12.717 -0.133 1.00 0.77 H new ATOM 0 HB3 ASP A 62 1.049 12.855 0.539 1.00 0.77 H new ATOM 929 N ASP A 63 0.758 12.942 -3.695 1.00 0.44 N ATOM 930 CA ASP A 63 0.054 13.187 -4.964 1.00 0.45 C ATOM 931 C ASP A 63 0.058 11.917 -5.787 1.00 0.40 C ATOM 932 O ASP A 63 -0.914 11.599 -6.473 1.00 0.48 O ATOM 933 CB ASP A 63 0.722 14.325 -5.749 1.00 0.58 C ATOM 934 CG ASP A 63 0.000 14.684 -7.035 1.00 1.37 C ATOM 935 OD1 ASP A 63 0.285 14.086 -8.089 1.00 2.18 O ATOM 936 OD2 ASP A 63 -0.846 15.599 -7.019 1.00 1.66 O ATOM 0 H ASP A 63 1.673 13.386 -3.622 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.972 13.483 -4.748 1.00 0.45 H new ATOM 0 HB2 ASP A 63 0.777 15.209 -5.114 1.00 0.58 H new ATOM 0 HB3 ASP A 63 1.747 14.039 -5.986 1.00 0.58 H new ATOM 941 N VAL A 64 1.136 11.160 -5.647 1.00 0.34 N ATOM 942 CA VAL A 64 1.285 9.878 -6.322 1.00 0.37 C ATOM 943 C VAL A 64 0.408 8.874 -5.605 1.00 0.36 C ATOM 944 O VAL A 64 -0.347 8.140 -6.227 1.00 0.43 O ATOM 945 CB VAL A 64 2.754 9.379 -6.268 1.00 0.45 C ATOM 946 CG1 VAL A 64 2.914 8.079 -7.044 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.710 10.427 -6.802 1.00 0.50 C ATOM 0 H VAL A 64 1.932 11.416 -5.063 1.00 0.34 H new ATOM 0 HA VAL A 64 1.000 9.991 -7.368 1.00 0.37 H new ATOM 0 HB VAL A 64 2.999 9.194 -5.222 1.00 0.45 H new ATOM 0 HG11 VAL A 64 3.952 7.749 -6.992 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.268 7.315 -6.611 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.637 8.241 -8.086 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.731 10.048 -6.751 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.459 10.655 -7.838 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.629 11.333 -6.202 1.00 0.50 H new ATOM 957 N ALA A 65 0.513 8.867 -4.286 1.00 0.35 N ATOM 958 CA ALA A 65 -0.276 7.988 -3.432 1.00 0.39 C ATOM 959 C ALA A 65 -1.789 8.198 -3.632 1.00 0.41 C ATOM 960 O ALA A 65 -2.565 7.279 -3.489 1.00 0.45 O ATOM 961 CB ALA A 65 0.111 8.182 -1.982 1.00 0.44 C ATOM 0 H ALA A 65 1.152 9.474 -3.773 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.057 6.960 -3.719 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.485 7.520 -1.354 1.00 0.44 H new ATOM 0 HB2 ALA A 65 1.168 7.949 -1.853 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.070 9.217 -1.692 1.00 0.44 H new ATOM 967 N GLY A 66 -2.183 9.405 -3.981 1.00 0.47 N ATOM 968 CA GLY A 66 -3.582 9.677 -4.238 1.00 0.55 C ATOM 969 C GLY A 66 -3.975 9.343 -5.668 1.00 0.58 C ATOM 970 O GLY A 66 -5.158 9.341 -6.013 1.00 0.81 O ATOM 0 H GLY A 66 -1.562 10.206 -4.092 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.196 9.098 -3.549 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.789 10.729 -4.042 1.00 0.55 H new ATOM 974 N ARG A 67 -2.986 9.053 -6.497 1.00 0.54 N ATOM 975 CA ARG A 67 -3.216 8.744 -7.896 1.00 0.61 C ATOM 976 C ARG A 67 -3.215 7.226 -8.143 1.00 0.52 C ATOM 977 O ARG A 67 -3.876 6.738 -9.070 1.00 0.59 O ATOM 978 CB ARG A 67 -2.163 9.420 -8.793 1.00 0.75 C ATOM 979 CG ARG A 67 -2.364 9.107 -10.261 1.00 1.32 C ATOM 980 CD ARG A 67 -1.316 9.714 -11.168 1.00 1.55 C ATOM 981 NE ARG A 67 -1.559 9.288 -12.553 1.00 1.97 N ATOM 982 CZ ARG A 67 -1.068 9.862 -13.657 1.00 2.53 C ATOM 983 NH1 ARG A 67 -0.178 10.844 -13.580 1.00 2.73 N ATOM 984 NH2 ARG A 67 -1.436 9.411 -14.844 1.00 3.33 N ATOM 0 H ARG A 67 -2.005 9.025 -6.219 1.00 0.54 H new ATOM 0 HA ARG A 67 -4.200 9.135 -8.154 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -2.204 10.499 -8.646 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -1.168 9.095 -8.488 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -2.363 8.025 -10.395 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -3.347 9.465 -10.567 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -1.347 10.801 -11.100 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -0.321 9.403 -10.850 1.00 1.55 H new ATOM 0 HE ARG A 67 -2.161 8.475 -12.686 1.00 1.97 H new ATOM 0 HH11 ARG A 67 0.142 11.172 -12.669 1.00 2.73 H new ATOM 0 HH12 ARG A 67 0.186 11.270 -14.432 1.00 2.73 H new ATOM 0 HH21 ARG A 67 -2.090 8.631 -14.913 1.00 3.33 H new ATOM 0 HH22 ARG A 67 -1.066 9.843 -15.691 1.00 3.33 H new ATOM 998 N VAL A 68 -2.517 6.489 -7.300 1.00 0.43 N ATOM 999 CA VAL A 68 -2.401 5.047 -7.470 1.00 0.39 C ATOM 1000 C VAL A 68 -3.700 4.351 -7.105 1.00 0.35 C ATOM 1001 O VAL A 68 -4.084 4.251 -5.951 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.195 4.437 -6.679 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.113 4.796 -7.352 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.162 4.921 -5.241 1.00 0.36 C ATOM 0 H VAL A 68 -2.021 6.861 -6.490 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.199 4.873 -8.527 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.327 3.355 -6.677 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.942 4.365 -6.790 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.119 4.402 -8.368 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.221 5.880 -7.383 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.311 4.475 -4.726 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.068 6.007 -5.225 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.084 4.629 -4.738 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.384 3.913 -8.132 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.669 3.298 -8.018 1.00 0.41 C ATOM 1016 C ASP A 69 -5.547 1.816 -7.766 1.00 0.28 C ATOM 1017 O ASP A 69 -6.534 1.176 -7.409 1.00 0.33 O ATOM 1018 CB ASP A 69 -6.486 3.523 -9.300 1.00 0.62 C ATOM 1019 CG ASP A 69 -5.919 2.845 -10.540 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -4.877 3.279 -11.053 1.00 2.11 O ATOM 1021 OD2 ASP A 69 -6.488 1.816 -10.995 1.00 1.76 O ATOM 0 H ASP A 69 -4.048 3.979 -9.093 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.178 3.758 -7.171 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -7.501 3.161 -9.136 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.556 4.594 -9.488 1.00 0.62 H new ATOM 1026 N THR A 70 -4.347 1.272 -7.911 1.00 0.30 N ATOM 1027 CA THR A 70 -4.154 -0.147 -7.724 1.00 0.27 C ATOM 1028 C THR A 70 -2.997 -0.435 -6.761 1.00 0.24 C ATOM 1029 O THR A 70 -1.952 0.244 -6.805 1.00 0.25 O ATOM 1030 CB THR A 70 -3.921 -0.865 -9.075 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.883 -0.206 -9.834 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.201 -0.922 -9.888 1.00 0.36 C ATOM 0 H THR A 70 -3.504 1.791 -8.155 1.00 0.30 H new ATOM 0 HA THR A 70 -5.069 -0.539 -7.280 1.00 0.27 H new ATOM 0 HB THR A 70 -3.602 -1.885 -8.858 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.750 -0.676 -10.683 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.010 -1.431 -10.832 1.00 0.36 H new ATOM 0 HG22 THR A 70 -5.963 -1.466 -9.330 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.551 0.091 -10.087 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.173 -1.437 -5.855 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.160 -1.822 -4.869 1.00 0.22 C ATOM 1042 C PRO A 71 -0.840 -2.197 -5.506 1.00 0.22 C ATOM 1043 O PRO A 71 0.201 -2.025 -4.902 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.771 -3.036 -4.158 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.234 -2.900 -4.374 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.399 -2.241 -5.709 1.00 0.23 C ATOM 0 HA PRO A 71 -1.929 -0.995 -4.198 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.394 -3.970 -4.574 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.526 -3.038 -3.096 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.722 -3.874 -4.358 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.690 -2.302 -3.585 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.494 -2.975 -6.509 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.293 -1.618 -5.740 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.902 -2.718 -6.728 1.00 0.24 N ATOM 1055 CA ARG A 72 0.287 -3.092 -7.494 1.00 0.28 C ATOM 1056 C ARG A 72 1.246 -1.921 -7.585 1.00 0.27 C ATOM 1057 O ARG A 72 2.416 -2.030 -7.239 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.115 -3.532 -8.886 1.00 0.40 C ATOM 1059 CG ARG A 72 1.018 -4.033 -9.752 1.00 0.70 C ATOM 1060 CD ARG A 72 0.485 -4.436 -11.099 1.00 0.74 C ATOM 1061 NE ARG A 72 -0.159 -3.308 -11.762 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.383 -3.338 -12.325 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -2.172 -4.422 -12.193 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -1.822 -2.284 -12.999 1.00 2.72 N ATOM 0 H ARG A 72 -1.779 -2.894 -7.218 1.00 0.24 H new ATOM 0 HA ARG A 72 0.785 -3.917 -6.984 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.862 -4.321 -8.799 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.594 -2.693 -9.391 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.773 -3.255 -9.867 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.506 -4.882 -9.274 1.00 0.70 H new ATOM 0 HD2 ARG A 72 1.299 -4.811 -11.719 1.00 0.74 H new ATOM 0 HD3 ARG A 72 -0.229 -5.251 -10.983 1.00 0.74 H new ATOM 0 HE ARG A 72 0.357 -2.429 -11.803 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.844 -5.230 -11.663 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -3.097 -4.435 -12.623 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -1.234 -1.455 -13.090 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -2.748 -2.302 -13.427 1.00 2.72 H new ATOM 1078 N GLU A 73 0.723 -0.802 -8.030 1.00 0.24 N ATOM 1079 CA GLU A 73 1.499 0.401 -8.188 1.00 0.26 C ATOM 1080 C GLU A 73 1.963 0.953 -6.849 1.00 0.25 C ATOM 1081 O GLU A 73 3.062 1.470 -6.737 1.00 0.32 O ATOM 1082 CB GLU A 73 0.729 1.433 -8.994 1.00 0.33 C ATOM 1083 CG GLU A 73 0.382 0.952 -10.393 1.00 0.50 C ATOM 1084 CD GLU A 73 1.564 0.338 -11.124 1.00 1.41 C ATOM 1085 OE1 GLU A 73 2.580 1.050 -11.337 1.00 1.82 O ATOM 1086 OE2 GLU A 73 1.527 -0.867 -11.457 1.00 2.21 O ATOM 0 H GLU A 73 -0.257 -0.703 -8.293 1.00 0.24 H new ATOM 0 HA GLU A 73 2.400 0.149 -8.747 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.189 1.688 -8.465 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.320 2.346 -9.065 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.420 0.216 -10.329 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.001 1.791 -10.974 1.00 0.50 H new ATOM 1093 N LEU A 74 1.140 0.790 -5.822 1.00 0.23 N ATOM 1094 CA LEU A 74 1.493 1.259 -4.483 1.00 0.26 C ATOM 1095 C LEU A 74 2.648 0.397 -3.958 1.00 0.25 C ATOM 1096 O LEU A 74 3.606 0.912 -3.366 1.00 0.28 O ATOM 1097 CB LEU A 74 0.239 1.198 -3.560 1.00 0.28 C ATOM 1098 CG LEU A 74 0.293 1.888 -2.158 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.183 1.150 -1.161 1.00 1.01 C ATOM 1100 CD2 LEU A 74 0.732 3.339 -2.287 1.00 1.11 C ATOM 0 H LEU A 74 0.227 0.339 -5.886 1.00 0.23 H new ATOM 0 HA LEU A 74 1.823 2.298 -4.504 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.595 1.635 -4.109 1.00 0.28 H new ATOM 0 HB3 LEU A 74 -0.000 0.147 -3.400 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.721 1.853 -1.760 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.178 1.679 -0.208 1.00 1.01 H new ATOM 0 HD12 LEU A 74 0.805 0.138 -1.016 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.202 1.106 -1.546 1.00 1.01 H new ATOM 0 HD21 LEU A 74 0.762 3.799 -1.299 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.724 3.380 -2.737 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.025 3.878 -2.917 1.00 1.11 H new ATOM 1112 N LEU A 75 2.554 -0.905 -4.201 1.00 0.24 N ATOM 1113 CA LEU A 75 3.612 -1.845 -3.878 1.00 0.28 C ATOM 1114 C LEU A 75 4.872 -1.424 -4.589 1.00 0.28 C ATOM 1115 O LEU A 75 5.899 -1.265 -3.969 1.00 0.30 O ATOM 1116 CB LEU A 75 3.234 -3.274 -4.304 1.00 0.32 C ATOM 1117 CG LEU A 75 4.269 -4.386 -4.027 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.539 -4.514 -2.544 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.771 -5.705 -4.585 1.00 0.48 C ATOM 0 H LEU A 75 1.736 -1.337 -4.630 1.00 0.24 H new ATOM 0 HA LEU A 75 3.766 -1.843 -2.799 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.305 -3.543 -3.801 1.00 0.32 H new ATOM 0 HB3 LEU A 75 3.025 -3.264 -5.374 1.00 0.32 H new ATOM 0 HG LEU A 75 5.204 -4.119 -4.520 1.00 0.39 H new ATOM 0 HD11 LEU A 75 5.271 -5.304 -2.374 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.928 -3.570 -2.162 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.613 -4.761 -2.025 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.506 -6.485 -4.386 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.826 -5.967 -4.110 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.623 -5.612 -5.661 1.00 0.48 H new ATOM 1131 N ASP A 76 4.745 -1.180 -5.888 1.00 0.28 N ATOM 1132 CA ASP A 76 5.867 -0.797 -6.752 1.00 0.33 C ATOM 1133 C ASP A 76 6.515 0.509 -6.285 1.00 0.30 C ATOM 1134 O ASP A 76 7.707 0.717 -6.471 1.00 0.32 O ATOM 1135 CB ASP A 76 5.410 -0.693 -8.218 1.00 0.43 C ATOM 1136 CG ASP A 76 6.556 -0.496 -9.194 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.371 -1.420 -9.387 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.699 0.626 -9.739 1.00 0.68 O ATOM 0 H ASP A 76 3.854 -1.242 -6.381 1.00 0.28 H new ATOM 0 HA ASP A 76 6.624 -1.579 -6.683 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.866 -1.598 -8.486 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.713 0.139 -8.315 1.00 0.43 H new ATOM 1143 N LEU A 77 5.726 1.383 -5.686 1.00 0.29 N ATOM 1144 CA LEU A 77 6.244 2.609 -5.087 1.00 0.30 C ATOM 1145 C LEU A 77 7.185 2.289 -3.929 1.00 0.28 C ATOM 1146 O LEU A 77 8.331 2.722 -3.920 1.00 0.35 O ATOM 1147 CB LEU A 77 5.112 3.513 -4.590 1.00 0.35 C ATOM 1148 CG LEU A 77 4.207 4.118 -5.650 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.110 4.937 -4.997 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.017 4.978 -6.602 1.00 0.45 C ATOM 0 H LEU A 77 4.716 1.269 -5.599 1.00 0.29 H new ATOM 0 HA LEU A 77 6.795 3.139 -5.864 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.493 2.936 -3.903 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.554 4.327 -4.015 1.00 0.35 H new ATOM 0 HG LEU A 77 3.745 3.312 -6.220 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.468 5.365 -5.767 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.516 4.296 -4.345 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.556 5.739 -4.409 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.357 5.406 -7.357 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.500 5.781 -6.045 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.776 4.366 -7.089 1.00 0.45 H new ATOM 1162 N ILE A 78 6.692 1.513 -2.973 1.00 0.27 N ATOM 1163 CA ILE A 78 7.466 1.139 -1.781 1.00 0.29 C ATOM 1164 C ILE A 78 8.639 0.250 -2.204 1.00 0.30 C ATOM 1165 O ILE A 78 9.803 0.582 -2.012 1.00 0.31 O ATOM 1166 CB ILE A 78 6.591 0.307 -0.793 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.243 0.994 -0.491 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.359 0.054 0.511 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.346 2.311 0.241 1.00 0.38 C ATOM 0 H ILE A 78 5.750 1.123 -2.995 1.00 0.27 H new ATOM 0 HA ILE A 78 7.808 2.054 -1.298 1.00 0.29 H new ATOM 0 HB ILE A 78 6.371 -0.645 -1.276 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.718 1.159 -1.432 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.631 0.314 0.101 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.738 -0.527 1.192 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.274 -0.498 0.293 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.612 1.007 0.975 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.347 2.714 0.406 1.00 0.38 H new ATOM 0 HD12 ILE A 78 5.838 2.156 1.201 1.00 0.38 H new ATOM 0 HD13 ILE A 78 5.927 3.014 -0.355 1.00 0.38 H new ATOM 1181 N ASN A 79 8.281 -0.870 -2.789 1.00 0.34 N ATOM 1182 CA ASN A 79 9.188 -1.936 -3.225 1.00 0.41 C ATOM 1183 C ASN A 79 10.259 -1.379 -4.175 1.00 0.38 C ATOM 1184 O ASN A 79 11.450 -1.679 -4.035 1.00 0.42 O ATOM 1185 CB ASN A 79 8.315 -3.013 -3.907 1.00 0.53 C ATOM 1186 CG ASN A 79 8.989 -4.304 -4.297 1.00 0.50 C ATOM 1187 OD1 ASN A 79 10.152 -4.351 -4.649 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.230 -5.377 -4.215 1.00 0.63 N ATOM 0 H ASN A 79 7.304 -1.084 -2.989 1.00 0.34 H new ATOM 0 HA ASN A 79 9.726 -2.370 -2.382 1.00 0.41 H new ATOM 0 HB2 ASN A 79 7.490 -3.252 -3.237 1.00 0.53 H new ATOM 0 HB3 ASN A 79 7.879 -2.575 -4.805 1.00 0.53 H new ATOM 0 HD21 ASN A 79 8.613 -6.292 -4.451 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.259 -5.293 -3.915 1.00 0.63 H new ATOM 1195 N GLY A 80 9.836 -0.531 -5.093 1.00 0.38 N ATOM 1196 CA GLY A 80 10.747 0.084 -6.033 1.00 0.42 C ATOM 1197 C GLY A 80 11.697 1.040 -5.353 1.00 0.38 C ATOM 1198 O GLY A 80 12.882 1.053 -5.656 1.00 0.46 O ATOM 0 H GLY A 80 8.861 -0.253 -5.206 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.317 -0.691 -6.546 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.178 0.618 -6.794 1.00 0.42 H new ATOM 1202 N ALA A 81 11.195 1.789 -4.377 1.00 0.31 N ATOM 1203 CA ALA A 81 12.016 2.746 -3.646 1.00 0.32 C ATOM 1204 C ALA A 81 13.036 2.016 -2.786 1.00 0.33 C ATOM 1205 O ALA A 81 14.126 2.524 -2.534 1.00 0.45 O ATOM 1206 CB ALA A 81 11.154 3.655 -2.786 1.00 0.33 C ATOM 0 H ALA A 81 10.222 1.751 -4.074 1.00 0.31 H new ATOM 0 HA ALA A 81 12.545 3.365 -4.370 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.790 4.360 -2.251 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.458 4.204 -3.421 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.595 3.054 -2.069 1.00 0.33 H new ATOM 1212 N LEU A 82 12.678 0.828 -2.345 1.00 0.29 N ATOM 1213 CA LEU A 82 13.583 -0.022 -1.593 1.00 0.36 C ATOM 1214 C LEU A 82 14.714 -0.499 -2.482 1.00 0.46 C ATOM 1215 O LEU A 82 15.857 -0.584 -2.050 1.00 0.61 O ATOM 1216 CB LEU A 82 12.839 -1.216 -0.991 1.00 0.42 C ATOM 1217 CG LEU A 82 11.829 -0.878 0.097 1.00 0.55 C ATOM 1218 CD1 LEU A 82 11.071 -2.123 0.529 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.545 -0.253 1.283 1.00 0.67 C ATOM 0 H LEU A 82 11.754 0.423 -2.496 1.00 0.29 H new ATOM 0 HA LEU A 82 14.001 0.564 -0.775 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.321 -1.741 -1.793 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.573 -1.909 -0.579 1.00 0.42 H new ATOM 0 HG LEU A 82 11.108 -0.164 -0.300 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.354 -1.861 1.307 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.541 -2.542 -0.327 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.774 -2.861 0.917 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.820 -0.012 2.060 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.279 -0.956 1.677 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.051 0.658 0.964 1.00 0.67 H new ATOM 1231 N ALA A 83 14.378 -0.837 -3.711 1.00 0.54 N ATOM 1232 CA ALA A 83 15.358 -1.239 -4.701 1.00 0.69 C ATOM 1233 C ALA A 83 16.279 -0.070 -5.062 1.00 0.73 C ATOM 1234 O ALA A 83 17.506 -0.215 -5.094 1.00 0.84 O ATOM 1235 CB ALA A 83 14.667 -1.784 -5.942 1.00 0.88 C ATOM 0 H ALA A 83 13.417 -0.841 -4.052 1.00 0.54 H new ATOM 0 HA ALA A 83 15.972 -2.031 -4.273 1.00 0.69 H new ATOM 0 HB1 ALA A 83 15.417 -2.081 -6.675 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.062 -2.649 -5.671 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.027 -1.013 -6.370 1.00 0.88 H new ATOM 1241 N GLU A 84 15.667 1.079 -5.330 1.00 0.82 N ATOM 1242 CA GLU A 84 16.382 2.288 -5.719 1.00 1.07 C ATOM 1243 C GLU A 84 17.290 2.803 -4.611 1.00 1.53 C ATOM 1244 O GLU A 84 18.485 3.006 -4.824 1.00 1.82 O ATOM 1245 CB GLU A 84 15.410 3.389 -6.133 1.00 1.50 C ATOM 1246 CG GLU A 84 14.568 3.059 -7.349 1.00 2.18 C ATOM 1247 CD GLU A 84 13.652 4.188 -7.725 1.00 2.92 C ATOM 1248 OE1 GLU A 84 14.089 5.094 -8.464 1.00 3.21 O ATOM 1249 OE2 GLU A 84 12.478 4.200 -7.290 1.00 3.64 O ATOM 0 H GLU A 84 14.655 1.198 -5.283 1.00 0.82 H new ATOM 0 HA GLU A 84 17.007 2.017 -6.570 1.00 1.07 H new ATOM 0 HB2 GLU A 84 14.747 3.605 -5.295 1.00 1.50 H new ATOM 0 HB3 GLU A 84 15.976 4.299 -6.334 1.00 1.50 H new ATOM 0 HG2 GLU A 84 15.222 2.828 -8.190 1.00 2.18 H new ATOM 0 HG3 GLU A 84 13.978 2.165 -7.149 1.00 2.18 H new ATOM 1256 N ALA A 85 16.740 3.009 -3.441 1.00 2.09 N ATOM 1257 CA ALA A 85 17.511 3.543 -2.342 1.00 2.99 C ATOM 1258 C ALA A 85 18.158 2.430 -1.540 1.00 3.79 C ATOM 1259 O ALA A 85 17.652 2.017 -0.492 1.00 4.38 O ATOM 1260 CB ALA A 85 16.662 4.442 -1.462 1.00 3.58 C ATOM 0 H ALA A 85 15.762 2.816 -3.223 1.00 2.09 H new ATOM 0 HA ALA A 85 18.310 4.156 -2.759 1.00 2.99 H new ATOM 0 HB1 ALA A 85 17.269 4.829 -0.644 1.00 3.58 H new ATOM 0 HB2 ALA A 85 16.278 5.273 -2.054 1.00 3.58 H new ATOM 0 HB3 ALA A 85 15.828 3.870 -1.056 1.00 3.58 H new ATOM 1266 N ALA A 86 19.236 1.919 -2.069 1.00 4.29 N ATOM 1267 CA ALA A 86 19.985 0.843 -1.478 1.00 5.37 C ATOM 1268 C ALA A 86 21.325 0.782 -2.165 1.00 6.06 C ATOM 1269 O ALA A 86 21.426 0.152 -3.232 1.00 6.58 O ATOM 1270 CB ALA A 86 19.246 -0.487 -1.631 1.00 6.00 C ATOM 1271 OXT ALA A 86 22.273 1.408 -1.687 1.00 6.33 O ATOM 0 H ALA A 86 19.630 2.250 -2.950 1.00 4.29 H new ATOM 0 HA ALA A 86 20.112 1.022 -0.410 1.00 5.37 H new ATOM 0 HB1 ALA A 86 19.834 -1.284 -1.176 1.00 6.00 H new ATOM 0 HB2 ALA A 86 18.276 -0.423 -1.137 1.00 6.00 H new ATOM 0 HB3 ALA A 86 19.100 -0.703 -2.689 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -9.431 10.638 0.176 1.00 1.37 P HETATM 1279 O26 SXA A 87 -10.895 10.572 -0.323 1.00 2.26 O HETATM 1280 O23 SXA A 87 -9.100 10.009 1.569 1.00 1.84 O HETATM 1281 O27 SXA A 87 -9.024 12.144 0.145 1.00 1.75 O HETATM 1282 C28 SXA A 87 -7.724 12.577 0.692 1.00 2.13 C HETATM 1283 C29 SXA A 87 -7.455 14.058 0.437 1.00 3.11 C HETATM 1284 C30 SXA A 87 -7.127 14.199 -1.036 1.00 3.58 C HETATM 1285 C31 SXA A 87 -8.692 14.905 0.785 1.00 3.66 C HETATM 1286 C32 SXA A 87 -6.225 14.489 1.337 1.00 3.95 C HETATM 1287 O33 SXA A 87 -6.647 14.432 2.706 1.00 4.27 O HETATM 1288 C34 SXA A 87 -5.777 15.934 1.060 1.00 4.82 C HETATM 1289 O35 SXA A 87 -6.266 16.865 1.696 1.00 5.39 O HETATM 1290 N36 SXA A 87 -4.841 16.111 0.152 1.00 5.21 N HETATM 1291 C37 SXA A 87 -4.288 17.420 -0.209 1.00 6.20 C HETATM 1292 C38 SXA A 87 -3.258 17.352 -1.346 1.00 6.79 C HETATM 1293 C39 SXA A 87 -3.856 17.121 -2.747 1.00 6.69 C HETATM 1294 O40 SXA A 87 -3.129 16.906 -3.723 1.00 7.13 O HETATM 1295 N41 SXA A 87 -5.176 17.172 -2.820 1.00 6.49 N HETATM 1296 C42 SXA A 87 -5.961 16.992 -4.038 1.00 6.81 C HETATM 1297 C43 SXA A 87 -7.404 16.702 -3.698 1.00 6.95 C HETATM 1298 S1 SXA A 87 -7.921 17.820 -2.479 1.00 7.34 S HETATM 1299 C1 SXA A 87 -9.543 17.236 -2.251 1.00 7.74 C HETATM 1300 O1 SXA A 87 -10.064 16.307 -2.909 1.00 7.80 O HETATM 1301 C2 SXA A 87 -10.309 17.944 -1.154 1.00 8.41 C HETATM 0 HO33 SXA A 87 -6.867 15.335 3.018 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -5.687 17.352 -1.955 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -4.478 15.288 -0.330 1.00 5.21 H new HETATM 0 H43A SXA A 87 -8.028 16.796 -4.587 1.00 6.95 H new HETATM 0 H42A SXA A 87 -5.899 17.889 -4.654 1.00 6.81 H new HETATM 0 H38A SXA A 87 -2.689 18.282 -1.358 1.00 6.79 H new HETATM 0 H37A SXA A 87 -5.102 18.082 -0.505 1.00 6.20 H new HETATM 0 H31B SXA A 87 -9.534 14.590 0.169 1.00 3.66 H new HETATM 0 H31A SXA A 87 -8.942 14.769 1.837 1.00 3.66 H new HETATM 0 H30B SXA A 87 -6.247 13.601 -1.272 1.00 3.58 H new HETATM 0 H30A SXA A 87 -7.971 13.852 -1.632 1.00 3.58 H new HETATM 0 H28A SXA A 87 -7.701 12.385 1.765 1.00 2.13 H new HETATM 0 H43 SXA A 87 -7.510 15.678 -3.341 1.00 6.95 H new HETATM 0 H42 SXA A 87 -5.548 16.173 -4.626 1.00 6.81 H new HETATM 0 H38 SXA A 87 -2.553 16.549 -1.131 1.00 6.79 H new HETATM 0 H37 SXA A 87 -3.820 17.864 0.670 1.00 6.20 H new HETATM 0 H32 SXA A 87 -5.393 13.820 1.117 1.00 3.95 H new HETATM 0 H31 SXA A 87 -8.478 15.957 0.596 1.00 3.66 H new HETATM 0 H30 SXA A 87 -6.927 15.246 -1.266 1.00 3.58 H new HETATM 0 H2B SXA A 87 -9.787 17.817 -0.205 1.00 8.41 H new HETATM 0 H2A SXA A 87 -10.382 19.006 -1.388 1.00 8.41 H new HETATM 0 H28 SXA A 87 -6.927 11.983 0.245 1.00 2.13 H new HETATM 0 H2 SXA A 87 -11.310 17.520 -1.077 1.00 8.41 H new