USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0401 (180deg=-0.0285) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.000397 USER MOD Single : A 6 THR OG1 : rot -86:sc= 1.65 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00273 USER MOD Single : A 17 SER OG : rot 77:sc= -2.49! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 24 THR OG1 : rot 174:sc= 0.386 USER MOD Single : A 27 SER OG : rot 12:sc= 1.08 USER MOD Single : A 40 TYR OH : rot 159:sc= -0.822 USER MOD Single : A 46 MET CE :methyl 150:sc= -0.368 (180deg=-1.25!) USER MOD Single : A 48 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 54 SER OG : rot 85:sc= 0.995 USER MOD Single : A 56 TYR OH : rot 150:sc= -0.052 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -111:sc= -2.31! USER MOD Single : A 79 ASN : amide:sc= 0.0869 X(o=0.087,f=0) USER MOD Single : A 87 SXO O33 : rot -5:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.478 13.099 3.321 1.00 3.98 N ATOM 2 CA MET A 1 -17.631 12.560 2.231 1.00 3.18 C ATOM 3 C MET A 1 -16.609 11.583 2.796 1.00 2.64 C ATOM 4 O MET A 1 -16.117 11.762 3.912 1.00 2.90 O ATOM 5 CB MET A 1 -16.914 13.694 1.485 1.00 3.46 C ATOM 6 CG MET A 1 -15.946 14.494 2.345 1.00 3.84 C ATOM 7 SD MET A 1 -15.093 15.785 1.413 1.00 4.73 S ATOM 8 CE MET A 1 -14.097 16.527 2.705 1.00 5.02 C ATOM 0 H1 MET A 1 -18.663 14.108 3.150 1.00 3.98 H new ATOM 0 H2 MET A 1 -19.380 12.582 3.348 1.00 3.98 H new ATOM 0 H3 MET A 1 -17.987 12.986 4.231 1.00 3.98 H new ATOM 0 HA MET A 1 -18.275 12.036 1.525 1.00 3.18 H new ATOM 0 HB2 MET A 1 -16.368 13.271 0.642 1.00 3.46 H new ATOM 0 HB3 MET A 1 -17.661 14.372 1.073 1.00 3.46 H new ATOM 0 HG2 MET A 1 -16.491 14.948 3.172 1.00 3.84 H new ATOM 0 HG3 MET A 1 -15.210 13.819 2.781 1.00 3.84 H new ATOM 0 HE1 MET A 1 -13.509 17.344 2.287 1.00 5.02 H new ATOM 0 HE2 MET A 1 -14.748 16.912 3.490 1.00 5.02 H new ATOM 0 HE3 MET A 1 -13.427 15.776 3.125 1.00 5.02 H new ATOM 20 N ALA A 2 -16.298 10.545 2.029 1.00 2.32 N ATOM 21 CA ALA A 2 -15.337 9.540 2.455 1.00 1.93 C ATOM 22 C ALA A 2 -13.933 9.915 2.008 1.00 1.46 C ATOM 23 O ALA A 2 -13.742 10.441 0.910 1.00 1.43 O ATOM 24 CB ALA A 2 -15.723 8.176 1.904 1.00 2.06 C ATOM 0 H ALA A 2 -16.700 10.379 1.106 1.00 2.32 H new ATOM 0 HA ALA A 2 -15.347 9.493 3.544 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -14.996 7.433 2.230 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -16.712 7.902 2.272 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.739 8.215 0.815 1.00 2.06 H new ATOM 30 N THR A 3 -12.957 9.645 2.859 1.00 1.35 N ATOM 31 CA THR A 3 -11.574 9.966 2.561 1.00 1.09 C ATOM 32 C THR A 3 -10.932 8.839 1.745 1.00 0.90 C ATOM 33 O THR A 3 -10.717 7.734 2.241 1.00 1.14 O ATOM 34 CB THR A 3 -10.771 10.235 3.860 1.00 1.49 C ATOM 35 OG1 THR A 3 -9.379 10.399 3.566 1.00 2.10 O ATOM 36 CG2 THR A 3 -10.953 9.116 4.875 1.00 2.10 C ATOM 0 H THR A 3 -13.100 9.202 3.766 1.00 1.35 H new ATOM 0 HA THR A 3 -11.555 10.879 1.966 1.00 1.09 H new ATOM 0 HB THR A 3 -11.159 11.156 4.296 1.00 1.49 H new ATOM 0 HG1 THR A 3 -8.887 10.569 4.396 1.00 2.10 H new ATOM 0 HG21 THR A 3 -10.375 9.340 5.772 1.00 2.10 H new ATOM 0 HG22 THR A 3 -12.008 9.029 5.135 1.00 2.10 H new ATOM 0 HG23 THR A 3 -10.607 8.176 4.446 1.00 2.10 H new ATOM 44 N LEU A 4 -10.674 9.119 0.477 1.00 0.64 N ATOM 45 CA LEU A 4 -10.071 8.142 -0.419 1.00 0.51 C ATOM 46 C LEU A 4 -8.575 8.009 -0.162 1.00 0.45 C ATOM 47 O LEU A 4 -7.933 8.935 0.334 1.00 0.52 O ATOM 48 CB LEU A 4 -10.306 8.546 -1.879 1.00 0.57 C ATOM 49 CG LEU A 4 -11.768 8.550 -2.331 1.00 0.58 C ATOM 50 CD1 LEU A 4 -11.886 9.076 -3.751 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.354 7.150 -2.234 1.00 0.84 C ATOM 0 H LEU A 4 -10.874 10.020 0.042 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.543 7.178 -0.227 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.893 9.543 -2.034 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -9.747 7.866 -2.521 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.332 9.210 -1.672 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -12.933 9.071 -4.055 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.500 10.094 -3.795 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.310 8.440 -4.424 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.394 7.168 -2.559 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -11.786 6.473 -2.872 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.302 6.805 -1.202 1.00 0.84 H new ATOM 63 N LEU A 5 -8.031 6.850 -0.496 1.00 0.39 N ATOM 64 CA LEU A 5 -6.602 6.614 -0.384 1.00 0.35 C ATOM 65 C LEU A 5 -5.907 7.141 -1.636 1.00 0.35 C ATOM 66 O LEU A 5 -6.306 6.807 -2.754 1.00 0.41 O ATOM 67 CB LEU A 5 -6.330 5.117 -0.208 1.00 0.38 C ATOM 68 CG LEU A 5 -4.855 4.733 -0.086 1.00 0.58 C ATOM 69 CD1 LEU A 5 -4.215 5.428 1.106 1.00 1.00 C ATOM 70 CD2 LEU A 5 -4.707 3.225 0.042 1.00 0.98 C ATOM 0 H LEU A 5 -8.562 6.054 -0.849 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.211 7.137 0.489 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -6.854 4.771 0.683 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.759 4.584 -1.057 1.00 0.38 H new ATOM 0 HG LEU A 5 -4.342 5.059 -0.991 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -3.166 5.141 1.174 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -4.288 6.508 0.980 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.732 5.134 2.019 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.651 2.969 0.128 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -5.237 2.881 0.930 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -5.127 2.742 -0.840 1.00 0.98 H new ATOM 82 N THR A 6 -4.889 7.973 -1.456 1.00 0.39 N ATOM 83 CA THR A 6 -4.209 8.592 -2.587 1.00 0.49 C ATOM 84 C THR A 6 -2.799 8.039 -2.764 1.00 0.42 C ATOM 85 O THR A 6 -2.330 7.231 -1.958 1.00 0.41 O ATOM 86 CB THR A 6 -4.114 10.120 -2.417 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.209 10.431 -1.348 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.483 10.716 -2.135 1.00 1.03 C ATOM 0 H THR A 6 -4.517 8.234 -0.543 1.00 0.39 H new ATOM 0 HA THR A 6 -4.805 8.358 -3.469 1.00 0.49 H new ATOM 0 HB THR A 6 -3.739 10.553 -3.344 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.692 10.416 -0.496 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.393 11.796 -2.018 1.00 1.03 H new ATOM 0 HG22 THR A 6 -6.154 10.496 -2.965 1.00 1.03 H new ATOM 0 HG23 THR A 6 -5.886 10.285 -1.219 1.00 1.03 H new ATOM 96 N THR A 7 -2.135 8.498 -3.819 1.00 0.47 N ATOM 97 CA THR A 7 -0.742 8.171 -4.082 1.00 0.45 C ATOM 98 C THR A 7 0.146 8.598 -2.912 1.00 0.34 C ATOM 99 O THR A 7 0.909 7.797 -2.369 1.00 0.33 O ATOM 100 CB THR A 7 -0.264 8.887 -5.362 1.00 0.59 C ATOM 101 OG1 THR A 7 -1.212 8.676 -6.418 1.00 1.30 O ATOM 102 CG2 THR A 7 1.105 8.384 -5.794 1.00 1.06 C ATOM 0 H THR A 7 -2.552 9.111 -4.519 1.00 0.47 H new ATOM 0 HA THR A 7 -0.667 7.091 -4.211 1.00 0.45 H new ATOM 0 HB THR A 7 -0.184 9.953 -5.147 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.906 9.134 -7.229 1.00 1.30 H new ATOM 0 HG21 THR A 7 1.416 8.907 -6.699 1.00 1.06 H new ATOM 0 HG22 THR A 7 1.828 8.571 -5.000 1.00 1.06 H new ATOM 0 HG23 THR A 7 1.053 7.314 -5.993 1.00 1.06 H new ATOM 110 N ASP A 8 0.034 9.866 -2.527 1.00 0.41 N ATOM 111 CA ASP A 8 0.904 10.432 -1.499 1.00 0.46 C ATOM 112 C ASP A 8 0.592 9.851 -0.126 1.00 0.40 C ATOM 113 O ASP A 8 1.500 9.594 0.661 1.00 0.48 O ATOM 114 CB ASP A 8 0.782 11.955 -1.465 1.00 0.64 C ATOM 115 CG ASP A 8 1.720 12.581 -0.453 1.00 1.36 C ATOM 116 OD1 ASP A 8 2.950 12.365 -0.559 1.00 1.63 O ATOM 117 OD2 ASP A 8 1.237 13.304 0.443 1.00 2.19 O ATOM 0 H ASP A 8 -0.649 10.520 -2.910 1.00 0.41 H new ATOM 0 HA ASP A 8 1.930 10.167 -1.755 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.997 12.357 -2.455 1.00 0.64 H new ATOM 0 HB3 ASP A 8 -0.245 12.230 -1.225 1.00 0.64 H new ATOM 122 N ASP A 9 -0.688 9.625 0.159 1.00 0.40 N ATOM 123 CA ASP A 9 -1.081 9.014 1.429 1.00 0.44 C ATOM 124 C ASP A 9 -0.511 7.608 1.538 1.00 0.38 C ATOM 125 O ASP A 9 -0.095 7.179 2.613 1.00 0.44 O ATOM 126 CB ASP A 9 -2.600 8.975 1.589 1.00 0.58 C ATOM 127 CG ASP A 9 -3.186 10.329 1.937 1.00 0.86 C ATOM 128 OD1 ASP A 9 -2.961 10.803 3.070 1.00 1.12 O ATOM 129 OD2 ASP A 9 -3.885 10.914 1.086 1.00 1.12 O ATOM 0 H ASP A 9 -1.464 9.852 -0.463 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.674 9.631 2.230 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.050 8.616 0.663 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.861 8.259 2.369 1.00 0.58 H new ATOM 134 N LEU A 10 -0.492 6.897 0.417 1.00 0.35 N ATOM 135 CA LEU A 10 0.151 5.593 0.350 1.00 0.37 C ATOM 136 C LEU A 10 1.647 5.743 0.618 1.00 0.37 C ATOM 137 O LEU A 10 2.226 5.001 1.406 1.00 0.42 O ATOM 138 CB LEU A 10 -0.081 4.954 -1.023 1.00 0.42 C ATOM 139 CG LEU A 10 0.587 3.592 -1.245 1.00 0.58 C ATOM 140 CD1 LEU A 10 0.022 2.553 -0.291 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.416 3.146 -2.690 1.00 0.79 C ATOM 0 H LEU A 10 -0.916 7.203 -0.459 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.284 4.943 1.110 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.155 4.840 -1.173 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.277 5.642 -1.789 1.00 0.42 H new ATOM 0 HG LEU A 10 1.653 3.694 -1.040 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.510 1.594 -0.466 1.00 1.08 H new ATOM 0 HD12 LEU A 10 0.200 2.868 0.737 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.050 2.450 -0.459 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.896 2.178 -2.831 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.646 3.062 -2.922 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.875 3.879 -3.354 1.00 0.79 H new ATOM 153 N ARG A 11 2.248 6.730 -0.035 1.00 0.37 N ATOM 154 CA ARG A 11 3.662 7.063 0.145 1.00 0.45 C ATOM 155 C ARG A 11 4.002 7.310 1.621 1.00 0.48 C ATOM 156 O ARG A 11 5.132 7.082 2.061 1.00 0.60 O ATOM 157 CB ARG A 11 3.989 8.307 -0.688 1.00 0.52 C ATOM 158 CG ARG A 11 5.382 8.873 -0.476 1.00 0.67 C ATOM 159 CD ARG A 11 5.560 10.176 -1.239 1.00 0.85 C ATOM 160 NE ARG A 11 5.475 9.983 -2.685 1.00 1.04 N ATOM 161 CZ ARG A 11 4.742 10.744 -3.501 1.00 1.36 C ATOM 162 NH1 ARG A 11 3.988 11.726 -3.017 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.756 10.510 -4.809 1.00 2.17 N ATOM 0 H ARG A 11 1.769 7.327 -0.709 1.00 0.37 H new ATOM 0 HA ARG A 11 4.264 6.218 -0.190 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.870 8.061 -1.743 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.259 9.083 -0.457 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.552 9.043 0.587 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.127 8.149 -0.806 1.00 0.67 H new ATOM 0 HD2 ARG A 11 4.797 10.887 -0.923 1.00 0.85 H new ATOM 0 HD3 ARG A 11 6.527 10.613 -0.988 1.00 0.85 H new ATOM 0 HE ARG A 11 6.010 9.218 -3.097 1.00 1.04 H new ATOM 0 HH11 ARG A 11 3.966 11.904 -2.013 1.00 1.64 H new ATOM 0 HH12 ARG A 11 3.432 12.301 -3.650 1.00 1.64 H new ATOM 0 HH21 ARG A 11 5.325 9.752 -5.185 1.00 2.17 H new ATOM 0 HH22 ARG A 11 4.198 11.089 -5.437 1.00 2.17 H new ATOM 177 N ARG A 12 3.024 7.778 2.382 1.00 0.43 N ATOM 178 CA ARG A 12 3.228 8.073 3.793 1.00 0.46 C ATOM 179 C ARG A 12 3.169 6.806 4.634 1.00 0.44 C ATOM 180 O ARG A 12 3.908 6.672 5.609 1.00 0.46 O ATOM 181 CB ARG A 12 2.189 9.084 4.288 1.00 0.53 C ATOM 182 CG ARG A 12 2.192 10.408 3.528 1.00 0.91 C ATOM 183 CD ARG A 12 3.476 11.198 3.742 1.00 1.49 C ATOM 184 NE ARG A 12 4.651 10.511 3.211 1.00 2.06 N ATOM 185 CZ ARG A 12 5.899 10.975 3.314 1.00 2.93 C ATOM 186 NH1 ARG A 12 6.127 12.163 3.863 1.00 3.32 N ATOM 187 NH2 ARG A 12 6.914 10.257 2.856 1.00 3.66 N ATOM 0 H ARG A 12 2.079 7.962 2.045 1.00 0.43 H new ATOM 0 HA ARG A 12 4.222 8.508 3.901 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.198 8.636 4.212 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.368 9.284 5.344 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.062 10.213 2.464 1.00 0.91 H new ATOM 0 HG3 ARG A 12 1.341 11.009 3.848 1.00 0.91 H new ATOM 0 HD2 ARG A 12 3.383 12.173 3.264 1.00 1.49 H new ATOM 0 HD3 ARG A 12 3.615 11.377 4.808 1.00 1.49 H new ATOM 0 HE ARG A 12 4.509 9.622 2.732 1.00 2.06 H new ATOM 0 HH11 ARG A 12 5.348 12.724 4.207 1.00 3.32 H new ATOM 0 HH12 ARG A 12 7.081 12.514 3.940 1.00 3.32 H new ATOM 0 HH21 ARG A 12 6.743 9.349 2.424 1.00 3.66 H new ATOM 0 HH22 ARG A 12 7.867 10.612 2.935 1.00 3.66 H new ATOM 201 N ALA A 13 2.328 5.863 4.225 1.00 0.43 N ATOM 202 CA ALA A 13 2.096 4.646 4.999 1.00 0.44 C ATOM 203 C ALA A 13 3.368 3.822 5.160 1.00 0.43 C ATOM 204 O ALA A 13 3.612 3.242 6.223 1.00 0.47 O ATOM 205 CB ALA A 13 1.012 3.811 4.341 1.00 0.49 C ATOM 0 H ALA A 13 1.793 5.917 3.358 1.00 0.43 H new ATOM 0 HA ALA A 13 1.771 4.945 5.996 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.846 2.906 4.925 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.088 4.387 4.293 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.323 3.540 3.332 1.00 0.49 H new ATOM 211 N LEU A 14 4.179 3.779 4.109 1.00 0.41 N ATOM 212 CA LEU A 14 5.432 3.032 4.145 1.00 0.45 C ATOM 213 C LEU A 14 6.376 3.615 5.198 1.00 0.47 C ATOM 214 O LEU A 14 7.115 2.883 5.860 1.00 0.53 O ATOM 215 CB LEU A 14 6.121 3.036 2.774 1.00 0.49 C ATOM 216 CG LEU A 14 5.503 2.132 1.690 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.328 0.713 2.196 1.00 0.79 C ATOM 218 CD2 LEU A 14 4.179 2.680 1.195 1.00 0.70 C ATOM 0 H LEU A 14 3.993 4.251 3.224 1.00 0.41 H new ATOM 0 HA LEU A 14 5.193 2.002 4.409 1.00 0.45 H new ATOM 0 HB2 LEU A 14 6.130 4.060 2.400 1.00 0.49 H new ATOM 0 HB3 LEU A 14 7.160 2.739 2.914 1.00 0.49 H new ATOM 0 HG LEU A 14 6.198 2.117 0.850 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.890 0.098 1.410 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.299 0.305 2.478 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.669 0.715 3.064 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.773 2.016 0.432 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.479 2.747 2.028 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.332 3.672 0.769 1.00 0.70 H new ATOM 230 N VAL A 15 6.323 4.930 5.373 1.00 0.50 N ATOM 231 CA VAL A 15 7.182 5.615 6.333 1.00 0.57 C ATOM 232 C VAL A 15 6.610 5.491 7.743 1.00 0.60 C ATOM 233 O VAL A 15 7.352 5.359 8.716 1.00 0.71 O ATOM 234 CB VAL A 15 7.337 7.110 5.983 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.353 7.784 6.895 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.729 7.281 4.524 1.00 0.60 C ATOM 0 H VAL A 15 5.692 5.546 4.861 1.00 0.50 H new ATOM 0 HA VAL A 15 8.162 5.140 6.289 1.00 0.57 H new ATOM 0 HB VAL A 15 6.373 7.594 6.139 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.442 8.836 6.626 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.024 7.701 7.931 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.322 7.298 6.782 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.833 8.342 4.297 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.677 6.776 4.340 1.00 0.60 H new ATOM 0 HG23 VAL A 15 6.958 6.848 3.887 1.00 0.60 H new ATOM 246 N GLU A 16 5.285 5.547 7.842 1.00 0.59 N ATOM 247 CA GLU A 16 4.596 5.381 9.119 1.00 0.70 C ATOM 248 C GLU A 16 4.896 4.020 9.727 1.00 0.75 C ATOM 249 O GLU A 16 5.011 3.878 10.945 1.00 0.92 O ATOM 250 CB GLU A 16 3.083 5.528 8.938 1.00 0.86 C ATOM 251 CG GLU A 16 2.640 6.907 8.492 1.00 0.96 C ATOM 252 CD GLU A 16 1.138 6.997 8.322 1.00 1.17 C ATOM 253 OE1 GLU A 16 0.421 7.008 9.341 1.00 1.49 O ATOM 254 OE2 GLU A 16 0.672 7.053 7.163 1.00 1.28 O ATOM 0 H GLU A 16 4.664 5.707 7.049 1.00 0.59 H new ATOM 0 HA GLU A 16 4.958 6.159 9.791 1.00 0.70 H new ATOM 0 HB2 GLU A 16 2.743 4.795 8.206 1.00 0.86 H new ATOM 0 HB3 GLU A 16 2.591 5.288 9.881 1.00 0.86 H new ATOM 0 HG2 GLU A 16 2.966 7.646 9.224 1.00 0.96 H new ATOM 0 HG3 GLU A 16 3.126 7.156 7.549 1.00 0.96 H new ATOM 261 N SER A 17 5.015 3.025 8.867 1.00 0.68 N ATOM 262 CA SER A 17 5.252 1.663 9.300 1.00 0.78 C ATOM 263 C SER A 17 6.743 1.381 9.494 1.00 0.80 C ATOM 264 O SER A 17 7.167 0.985 10.577 1.00 1.05 O ATOM 265 CB SER A 17 4.667 0.701 8.278 1.00 0.81 C ATOM 266 OG SER A 17 3.344 1.083 7.940 1.00 1.25 O ATOM 0 H SER A 17 4.950 3.138 7.855 1.00 0.68 H new ATOM 0 HA SER A 17 4.765 1.522 10.265 1.00 0.78 H new ATOM 0 HB2 SER A 17 5.289 0.689 7.383 1.00 0.81 H new ATOM 0 HB3 SER A 17 4.668 -0.312 8.680 1.00 0.81 H new ATOM 0 HG SER A 17 3.371 1.850 7.331 1.00 1.25 H new ATOM 272 N ALA A 18 7.529 1.588 8.446 1.00 0.74 N ATOM 273 CA ALA A 18 8.948 1.256 8.486 1.00 0.87 C ATOM 274 C ALA A 18 9.816 2.505 8.415 1.00 1.11 C ATOM 275 O ALA A 18 10.424 2.905 9.409 1.00 1.68 O ATOM 276 CB ALA A 18 9.296 0.301 7.351 1.00 1.09 C ATOM 0 H ALA A 18 7.211 1.983 7.561 1.00 0.74 H new ATOM 0 HA ALA A 18 9.151 0.766 9.438 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.358 0.060 7.391 1.00 1.09 H new ATOM 0 HB2 ALA A 18 8.712 -0.614 7.453 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.067 0.773 6.395 1.00 1.09 H new ATOM 282 N GLY A 19 9.860 3.124 7.246 1.00 1.18 N ATOM 283 CA GLY A 19 10.663 4.317 7.068 1.00 1.63 C ATOM 284 C GLY A 19 12.130 3.994 6.861 1.00 1.60 C ATOM 285 O GLY A 19 12.557 3.763 5.729 1.00 2.14 O ATOM 0 H GLY A 19 9.353 2.821 6.414 1.00 1.18 H new ATOM 0 HA2 GLY A 19 10.292 4.878 6.211 1.00 1.63 H new ATOM 0 HA3 GLY A 19 10.554 4.960 7.941 1.00 1.63 H new ATOM 289 N GLU A 20 12.887 3.971 7.962 1.00 1.86 N ATOM 290 CA GLU A 20 14.330 3.716 7.928 1.00 2.28 C ATOM 291 C GLU A 20 15.076 4.821 7.174 1.00 2.06 C ATOM 292 O GLU A 20 14.506 5.867 6.865 1.00 2.51 O ATOM 293 CB GLU A 20 14.630 2.332 7.326 1.00 3.28 C ATOM 294 CG GLU A 20 14.302 1.182 8.262 1.00 4.13 C ATOM 295 CD GLU A 20 14.971 -0.111 7.843 1.00 4.94 C ATOM 296 OE1 GLU A 20 16.030 -0.057 7.180 1.00 5.32 O ATOM 297 OE2 GLU A 20 14.426 -1.189 8.151 1.00 5.47 O ATOM 0 H GLU A 20 12.518 4.128 8.900 1.00 1.86 H new ATOM 0 HA GLU A 20 14.692 3.721 8.956 1.00 2.28 H new ATOM 0 HB2 GLU A 20 14.060 2.214 6.404 1.00 3.28 H new ATOM 0 HB3 GLU A 20 15.685 2.282 7.057 1.00 3.28 H new ATOM 0 HG2 GLU A 20 14.616 1.439 9.274 1.00 4.13 H new ATOM 0 HG3 GLU A 20 13.222 1.037 8.291 1.00 4.13 H new ATOM 304 N THR A 21 16.363 4.603 6.925 1.00 2.21 N ATOM 305 CA THR A 21 17.186 5.557 6.211 1.00 2.61 C ATOM 306 C THR A 21 16.938 5.470 4.702 1.00 2.53 C ATOM 307 O THR A 21 15.951 4.879 4.261 1.00 3.19 O ATOM 308 CB THR A 21 18.676 5.305 6.531 1.00 3.61 C ATOM 309 OG1 THR A 21 18.980 3.906 6.392 1.00 3.97 O ATOM 310 CG2 THR A 21 19.011 5.755 7.948 1.00 4.47 C ATOM 0 H THR A 21 16.859 3.760 7.214 1.00 2.21 H new ATOM 0 HA THR A 21 16.918 6.562 6.537 1.00 2.61 H new ATOM 0 HB THR A 21 19.275 5.883 5.828 1.00 3.61 H new ATOM 0 HG1 THR A 21 19.927 3.755 6.595 1.00 3.97 H new ATOM 0 HG21 THR A 21 20.066 5.567 8.150 1.00 4.47 H new ATOM 0 HG22 THR A 21 18.806 6.821 8.049 1.00 4.47 H new ATOM 0 HG23 THR A 21 18.401 5.199 8.660 1.00 4.47 H new ATOM 318 N ASP A 22 17.832 6.047 3.907 1.00 2.22 N ATOM 319 CA ASP A 22 17.684 6.031 2.458 1.00 2.50 C ATOM 320 C ASP A 22 18.082 4.678 1.886 1.00 2.35 C ATOM 321 O ASP A 22 19.132 4.537 1.261 1.00 2.83 O ATOM 322 CB ASP A 22 18.519 7.137 1.805 1.00 3.16 C ATOM 323 CG ASP A 22 18.056 8.528 2.188 1.00 3.77 C ATOM 324 OD1 ASP A 22 17.136 9.059 1.530 1.00 4.40 O ATOM 325 OD2 ASP A 22 18.616 9.104 3.147 1.00 4.01 O ATOM 0 H ASP A 22 18.665 6.531 4.242 1.00 2.22 H new ATOM 0 HA ASP A 22 16.632 6.212 2.235 1.00 2.50 H new ATOM 0 HB2 ASP A 22 19.563 7.015 2.093 1.00 3.16 H new ATOM 0 HB3 ASP A 22 18.472 7.029 0.721 1.00 3.16 H new ATOM 330 N GLY A 23 17.253 3.677 2.140 1.00 2.30 N ATOM 331 CA GLY A 23 17.476 2.361 1.571 1.00 2.50 C ATOM 332 C GLY A 23 16.786 2.215 0.232 1.00 2.18 C ATOM 333 O GLY A 23 17.106 1.326 -0.554 1.00 2.54 O ATOM 0 H GLY A 23 16.426 3.752 2.732 1.00 2.30 H new ATOM 0 HA2 GLY A 23 18.546 2.191 1.451 1.00 2.50 H new ATOM 0 HA3 GLY A 23 17.107 1.599 2.257 1.00 2.50 H new ATOM 337 N THR A 24 15.839 3.102 -0.019 1.00 1.95 N ATOM 338 CA THR A 24 15.106 3.126 -1.269 1.00 2.00 C ATOM 339 C THR A 24 14.470 4.507 -1.440 1.00 1.78 C ATOM 340 O THR A 24 14.680 5.390 -0.604 1.00 1.91 O ATOM 341 CB THR A 24 14.030 2.013 -1.304 1.00 2.29 C ATOM 342 OG1 THR A 24 13.442 1.926 -2.611 1.00 3.02 O ATOM 343 CG2 THR A 24 12.942 2.269 -0.261 1.00 2.19 C ATOM 0 H THR A 24 15.557 3.827 0.641 1.00 1.95 H new ATOM 0 HA THR A 24 15.792 2.936 -2.095 1.00 2.00 H new ATOM 0 HB THR A 24 14.518 1.067 -1.069 1.00 2.29 H new ATOM 0 HG1 THR A 24 12.839 1.155 -2.648 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.199 1.473 -0.307 1.00 2.19 H new ATOM 0 HG22 THR A 24 13.389 2.291 0.733 1.00 2.19 H new ATOM 0 HG23 THR A 24 12.461 3.226 -0.464 1.00 2.19 H new ATOM 351 N ASP A 25 13.691 4.704 -2.495 1.00 1.72 N ATOM 352 CA ASP A 25 13.054 5.993 -2.715 1.00 1.73 C ATOM 353 C ASP A 25 11.578 5.813 -3.047 1.00 1.40 C ATOM 354 O ASP A 25 11.196 4.890 -3.762 1.00 1.55 O ATOM 355 CB ASP A 25 13.793 6.787 -3.810 1.00 2.18 C ATOM 356 CG ASP A 25 13.045 6.880 -5.134 1.00 2.30 C ATOM 357 OD1 ASP A 25 12.081 7.669 -5.224 1.00 2.76 O ATOM 358 OD2 ASP A 25 13.453 6.206 -6.100 1.00 2.59 O ATOM 0 H ASP A 25 13.487 3.998 -3.202 1.00 1.72 H new ATOM 0 HA ASP A 25 13.115 6.573 -1.794 1.00 1.73 H new ATOM 0 HB2 ASP A 25 13.985 7.795 -3.444 1.00 2.18 H new ATOM 0 HB3 ASP A 25 14.763 6.322 -3.987 1.00 2.18 H new ATOM 363 N LEU A 26 10.755 6.692 -2.486 1.00 1.15 N ATOM 364 CA LEU A 26 9.314 6.651 -2.697 1.00 1.01 C ATOM 365 C LEU A 26 8.859 7.891 -3.464 1.00 1.04 C ATOM 366 O LEU A 26 7.682 8.259 -3.436 1.00 1.18 O ATOM 367 CB LEU A 26 8.582 6.575 -1.351 1.00 1.12 C ATOM 368 CG LEU A 26 8.912 5.354 -0.488 1.00 0.89 C ATOM 369 CD1 LEU A 26 8.192 5.443 0.850 1.00 1.28 C ATOM 370 CD2 LEU A 26 8.538 4.071 -1.217 1.00 1.60 C ATOM 0 H LEU A 26 11.066 7.448 -1.876 1.00 1.15 H new ATOM 0 HA LEU A 26 9.074 5.763 -3.281 1.00 1.01 H new ATOM 0 HB2 LEU A 26 8.813 7.474 -0.780 1.00 1.12 H new ATOM 0 HB3 LEU A 26 7.509 6.585 -1.540 1.00 1.12 H new ATOM 0 HG LEU A 26 9.986 5.339 -0.300 1.00 0.89 H new ATOM 0 HD11 LEU A 26 8.436 4.568 1.453 1.00 1.28 H new ATOM 0 HD12 LEU A 26 8.508 6.345 1.374 1.00 1.28 H new ATOM 0 HD13 LEU A 26 7.116 5.479 0.682 1.00 1.28 H new ATOM 0 HD21 LEU A 26 8.779 3.213 -0.590 1.00 1.60 H new ATOM 0 HD22 LEU A 26 7.470 4.074 -1.433 1.00 1.60 H new ATOM 0 HD23 LEU A 26 9.097 4.007 -2.150 1.00 1.60 H new ATOM 382 N SER A 27 9.794 8.526 -4.154 1.00 1.09 N ATOM 383 CA SER A 27 9.499 9.739 -4.901 1.00 1.24 C ATOM 384 C SER A 27 9.331 9.428 -6.382 1.00 1.33 C ATOM 385 O SER A 27 8.626 10.138 -7.103 1.00 1.85 O ATOM 386 CB SER A 27 10.602 10.783 -4.689 1.00 1.39 C ATOM 387 OG SER A 27 11.887 10.252 -4.972 1.00 2.08 O ATOM 0 H SER A 27 10.765 8.221 -4.212 1.00 1.09 H new ATOM 0 HA SER A 27 8.561 10.152 -4.530 1.00 1.24 H new ATOM 0 HB2 SER A 27 10.415 11.645 -5.329 1.00 1.39 H new ATOM 0 HB3 SER A 27 10.574 11.139 -3.659 1.00 1.39 H new ATOM 0 HG SER A 27 11.792 9.388 -5.424 1.00 2.08 H new ATOM 393 N GLY A 28 9.976 8.358 -6.827 1.00 1.34 N ATOM 394 CA GLY A 28 9.871 7.950 -8.212 1.00 1.58 C ATOM 395 C GLY A 28 8.593 7.189 -8.496 1.00 1.41 C ATOM 396 O GLY A 28 7.652 7.210 -7.698 1.00 1.84 O ATOM 0 H GLY A 28 10.572 7.764 -6.250 1.00 1.34 H new ATOM 0 HA2 GLY A 28 9.915 8.831 -8.852 1.00 1.58 H new ATOM 0 HA3 GLY A 28 10.727 7.326 -8.470 1.00 1.58 H new ATOM 400 N ASP A 29 8.559 6.509 -9.629 1.00 1.35 N ATOM 401 CA ASP A 29 7.378 5.764 -10.047 1.00 1.28 C ATOM 402 C ASP A 29 7.304 4.409 -9.349 1.00 1.21 C ATOM 403 O ASP A 29 7.657 3.378 -9.917 1.00 1.84 O ATOM 404 CB ASP A 29 7.361 5.594 -11.573 1.00 1.54 C ATOM 405 CG ASP A 29 8.696 5.131 -12.134 1.00 2.18 C ATOM 406 OD1 ASP A 29 9.675 5.904 -12.087 1.00 2.64 O ATOM 407 OD2 ASP A 29 8.776 3.980 -12.615 1.00 2.77 O ATOM 0 H ASP A 29 9.341 6.456 -10.282 1.00 1.35 H new ATOM 0 HA ASP A 29 6.497 6.336 -9.754 1.00 1.28 H new ATOM 0 HB2 ASP A 29 6.590 4.873 -11.844 1.00 1.54 H new ATOM 0 HB3 ASP A 29 7.088 6.542 -12.036 1.00 1.54 H new ATOM 412 N PHE A 30 6.855 4.424 -8.100 1.00 0.72 N ATOM 413 CA PHE A 30 6.732 3.202 -7.310 1.00 0.64 C ATOM 414 C PHE A 30 5.460 2.432 -7.657 1.00 0.53 C ATOM 415 O PHE A 30 5.431 1.206 -7.592 1.00 0.50 O ATOM 416 CB PHE A 30 6.768 3.524 -5.807 1.00 0.64 C ATOM 417 CG PHE A 30 5.735 4.523 -5.353 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.999 5.884 -5.391 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.501 4.100 -4.898 1.00 0.70 C ATOM 420 CE1 PHE A 30 5.048 6.801 -4.980 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.546 5.010 -4.490 1.00 0.87 C ATOM 422 CZ PHE A 30 3.841 6.372 -4.503 1.00 0.92 C ATOM 0 H PHE A 30 6.569 5.271 -7.610 1.00 0.72 H new ATOM 0 HA PHE A 30 7.583 2.566 -7.555 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.630 2.599 -5.247 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.758 3.905 -5.554 1.00 0.64 H new ATOM 0 HD1 PHE A 30 6.958 6.232 -5.745 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.280 3.043 -4.861 1.00 0.70 H new ATOM 0 HE1 PHE A 30 5.260 7.859 -5.036 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.575 4.668 -4.162 1.00 0.87 H new ATOM 0 HZ PHE A 30 3.118 7.086 -4.137 1.00 0.92 H new ATOM 432 N LEU A 31 4.404 3.167 -8.008 1.00 0.50 N ATOM 433 CA LEU A 31 3.127 2.562 -8.400 1.00 0.45 C ATOM 434 C LEU A 31 3.307 1.571 -9.542 1.00 0.41 C ATOM 435 O LEU A 31 2.605 0.566 -9.622 1.00 0.43 O ATOM 436 CB LEU A 31 2.131 3.641 -8.838 1.00 0.52 C ATOM 437 CG LEU A 31 1.661 4.594 -7.741 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.928 5.781 -8.343 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.760 3.879 -6.746 1.00 0.43 C ATOM 0 H LEU A 31 4.407 4.187 -8.029 1.00 0.50 H new ATOM 0 HA LEU A 31 2.742 2.033 -7.528 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.588 4.230 -9.634 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.257 3.150 -9.266 1.00 0.52 H new ATOM 0 HG LEU A 31 2.543 4.954 -7.212 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.601 6.449 -7.546 1.00 0.78 H new ATOM 0 HD12 LEU A 31 1.597 6.319 -9.015 1.00 0.78 H new ATOM 0 HD13 LEU A 31 0.060 5.428 -8.900 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.440 4.581 -5.976 1.00 0.43 H new ATOM 0 HD22 LEU A 31 -0.114 3.485 -7.264 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.308 3.058 -6.284 1.00 0.43 H new ATOM 451 N ASP A 32 4.267 1.864 -10.409 1.00 0.41 N ATOM 452 CA ASP A 32 4.428 1.150 -11.667 1.00 0.43 C ATOM 453 C ASP A 32 5.460 0.027 -11.530 1.00 0.42 C ATOM 454 O ASP A 32 5.974 -0.493 -12.520 1.00 0.51 O ATOM 455 CB ASP A 32 4.857 2.153 -12.743 1.00 0.56 C ATOM 456 CG ASP A 32 4.513 1.716 -14.150 1.00 1.39 C ATOM 457 OD1 ASP A 32 3.311 1.697 -14.493 1.00 1.73 O ATOM 458 OD2 ASP A 32 5.442 1.440 -14.936 1.00 2.29 O ATOM 0 H ASP A 32 4.955 2.602 -10.260 1.00 0.41 H new ATOM 0 HA ASP A 32 3.482 0.688 -11.949 1.00 0.43 H new ATOM 0 HB2 ASP A 32 4.381 3.113 -12.543 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.933 2.310 -12.673 1.00 0.56 H new ATOM 463 N LEU A 33 5.727 -0.359 -10.290 1.00 0.43 N ATOM 464 CA LEU A 33 6.665 -1.428 -9.983 1.00 0.48 C ATOM 465 C LEU A 33 6.105 -2.246 -8.832 1.00 0.42 C ATOM 466 O LEU A 33 5.240 -1.766 -8.106 1.00 0.46 O ATOM 467 CB LEU A 33 8.031 -0.856 -9.580 1.00 0.56 C ATOM 468 CG LEU A 33 8.796 -0.098 -10.669 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.031 0.560 -10.072 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.187 -1.041 -11.799 1.00 1.01 C ATOM 0 H LEU A 33 5.297 0.062 -9.466 1.00 0.43 H new ATOM 0 HA LEU A 33 6.800 -2.050 -10.868 1.00 0.48 H new ATOM 0 HB2 LEU A 33 7.885 -0.185 -8.734 1.00 0.56 H new ATOM 0 HB3 LEU A 33 8.657 -1.677 -9.231 1.00 0.56 H new ATOM 0 HG LEU A 33 8.149 0.677 -11.080 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.570 1.097 -10.852 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.730 1.259 -9.292 1.00 1.23 H new ATOM 0 HD13 LEU A 33 10.679 -0.204 -9.643 1.00 1.23 H new ATOM 0 HD21 LEU A 33 9.730 -0.486 -12.564 1.00 1.01 H new ATOM 0 HD22 LEU A 33 9.823 -1.835 -11.407 1.00 1.01 H new ATOM 0 HD23 LEU A 33 8.289 -1.478 -12.236 1.00 1.01 H new ATOM 482 N ARG A 34 6.575 -3.473 -8.666 1.00 0.40 N ATOM 483 CA ARG A 34 6.088 -4.325 -7.586 1.00 0.39 C ATOM 484 C ARG A 34 6.633 -3.847 -6.247 1.00 0.36 C ATOM 485 O ARG A 34 7.630 -3.128 -6.195 1.00 0.42 O ATOM 486 CB ARG A 34 6.504 -5.780 -7.785 1.00 0.50 C ATOM 487 CG ARG A 34 6.074 -6.400 -9.098 1.00 0.66 C ATOM 488 CD ARG A 34 6.425 -7.877 -9.106 1.00 0.80 C ATOM 489 NE ARG A 34 6.264 -8.504 -10.413 1.00 1.41 N ATOM 490 CZ ARG A 34 6.681 -9.740 -10.686 1.00 1.84 C ATOM 491 NH1 ARG A 34 7.243 -10.480 -9.735 1.00 1.72 N ATOM 492 NH2 ARG A 34 6.526 -10.240 -11.904 1.00 2.88 N ATOM 0 H ARG A 34 7.287 -3.900 -9.258 1.00 0.40 H new ATOM 0 HA ARG A 34 5.000 -4.262 -7.596 1.00 0.39 H new ATOM 0 HB2 ARG A 34 7.589 -5.844 -7.710 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.092 -6.374 -6.969 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.001 -6.271 -9.238 1.00 0.66 H new ATOM 0 HG3 ARG A 34 6.567 -5.895 -9.929 1.00 0.66 H new ATOM 0 HD2 ARG A 34 7.457 -7.999 -8.777 1.00 0.80 H new ATOM 0 HD3 ARG A 34 5.796 -8.396 -8.382 1.00 0.80 H new ATOM 0 HE ARG A 34 5.810 -7.970 -11.154 1.00 1.41 H new ATOM 0 HH11 ARG A 34 7.356 -10.102 -8.794 1.00 1.72 H new ATOM 0 HH12 ARG A 34 7.561 -11.426 -9.946 1.00 1.72 H new ATOM 0 HH21 ARG A 34 6.087 -9.679 -12.634 1.00 2.88 H new ATOM 0 HH22 ARG A 34 6.846 -11.186 -12.111 1.00 2.88 H new ATOM 506 N PHE A 35 5.978 -4.250 -5.167 1.00 0.36 N ATOM 507 CA PHE A 35 6.490 -4.000 -3.822 1.00 0.39 C ATOM 508 C PHE A 35 7.899 -4.581 -3.675 1.00 0.46 C ATOM 509 O PHE A 35 8.776 -3.976 -3.058 1.00 0.49 O ATOM 510 CB PHE A 35 5.559 -4.606 -2.768 1.00 0.45 C ATOM 511 CG PHE A 35 4.179 -4.010 -2.765 1.00 0.45 C ATOM 512 CD1 PHE A 35 3.955 -2.746 -2.239 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.104 -4.713 -3.291 1.00 0.52 C ATOM 514 CE1 PHE A 35 2.690 -2.193 -2.241 1.00 0.55 C ATOM 515 CE2 PHE A 35 1.835 -4.164 -3.295 1.00 0.59 C ATOM 516 CZ PHE A 35 1.624 -2.911 -2.749 1.00 0.59 C ATOM 0 H PHE A 35 5.090 -4.752 -5.193 1.00 0.36 H new ATOM 0 HA PHE A 35 6.534 -2.922 -3.667 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.481 -5.680 -2.939 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.005 -4.472 -1.782 1.00 0.45 H new ATOM 0 HD1 PHE A 35 4.780 -2.188 -1.823 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.260 -5.700 -3.702 1.00 0.52 H new ATOM 0 HE1 PHE A 35 2.534 -1.200 -1.846 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.010 -4.713 -3.724 1.00 0.59 H new ATOM 0 HZ PHE A 35 0.628 -2.494 -2.720 1.00 0.59 H new ATOM 526 N GLU A 36 8.102 -5.764 -4.247 1.00 0.59 N ATOM 527 CA GLU A 36 9.407 -6.415 -4.241 1.00 0.76 C ATOM 528 C GLU A 36 10.448 -5.605 -5.025 1.00 0.71 C ATOM 529 O GLU A 36 11.646 -5.721 -4.777 1.00 0.80 O ATOM 530 CB GLU A 36 9.288 -7.841 -4.788 1.00 1.00 C ATOM 531 CG GLU A 36 8.757 -7.923 -6.208 1.00 1.26 C ATOM 532 CD GLU A 36 8.509 -9.349 -6.648 1.00 1.89 C ATOM 533 OE1 GLU A 36 9.481 -10.116 -6.761 1.00 2.28 O ATOM 534 OE2 GLU A 36 7.340 -9.709 -6.888 1.00 2.60 O ATOM 0 H GLU A 36 7.373 -6.294 -4.724 1.00 0.59 H new ATOM 0 HA GLU A 36 9.755 -6.466 -3.209 1.00 0.76 H new ATOM 0 HB2 GLU A 36 10.269 -8.315 -4.751 1.00 1.00 H new ATOM 0 HB3 GLU A 36 8.632 -8.415 -4.134 1.00 1.00 H new ATOM 0 HG2 GLU A 36 7.828 -7.357 -6.279 1.00 1.26 H new ATOM 0 HG3 GLU A 36 9.469 -7.454 -6.887 1.00 1.26 H new ATOM 541 N ASP A 37 9.982 -4.756 -5.939 1.00 0.65 N ATOM 542 CA ASP A 37 10.882 -3.972 -6.786 1.00 0.74 C ATOM 543 C ASP A 37 11.371 -2.745 -6.039 1.00 0.66 C ATOM 544 O ASP A 37 12.498 -2.287 -6.246 1.00 0.75 O ATOM 545 CB ASP A 37 10.196 -3.517 -8.082 1.00 0.86 C ATOM 546 CG ASP A 37 9.929 -4.642 -9.060 1.00 1.28 C ATOM 547 OD1 ASP A 37 10.836 -5.476 -9.276 1.00 1.38 O ATOM 548 OD2 ASP A 37 8.813 -4.709 -9.607 1.00 2.03 O ATOM 0 H ASP A 37 8.990 -4.593 -6.113 1.00 0.65 H new ATOM 0 HA ASP A 37 11.721 -4.618 -7.043 1.00 0.74 H new ATOM 0 HB2 ASP A 37 9.252 -3.034 -7.832 1.00 0.86 H new ATOM 0 HB3 ASP A 37 10.819 -2.766 -8.568 1.00 0.86 H new ATOM 553 N ILE A 38 10.525 -2.212 -5.169 1.00 0.54 N ATOM 554 CA ILE A 38 10.884 -1.036 -4.389 1.00 0.54 C ATOM 555 C ILE A 38 11.506 -1.420 -3.049 1.00 0.50 C ATOM 556 O ILE A 38 11.767 -0.560 -2.206 1.00 0.55 O ATOM 557 CB ILE A 38 9.684 -0.095 -4.166 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.476 -0.874 -3.636 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.336 0.624 -5.463 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.255 -0.017 -3.387 1.00 0.57 C ATOM 0 H ILE A 38 9.589 -2.573 -4.986 1.00 0.54 H new ATOM 0 HA ILE A 38 11.628 -0.496 -4.975 1.00 0.54 H new ATOM 0 HB ILE A 38 9.958 0.649 -3.418 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.219 -1.656 -4.350 1.00 0.48 H new ATOM 0 HG13 ILE A 38 8.755 -1.370 -2.706 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.487 1.287 -5.295 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.193 1.210 -5.796 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.079 -0.109 -6.228 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.443 -0.641 -3.013 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.493 0.750 -2.650 1.00 0.57 H new ATOM 0 HD13 ILE A 38 6.948 0.459 -4.319 1.00 0.57 H new ATOM 572 N GLY A 39 11.762 -2.715 -2.876 1.00 0.53 N ATOM 573 CA GLY A 39 12.493 -3.195 -1.715 1.00 0.58 C ATOM 574 C GLY A 39 11.658 -3.281 -0.451 1.00 0.51 C ATOM 575 O GLY A 39 12.071 -2.791 0.599 1.00 0.62 O ATOM 0 H GLY A 39 11.473 -3.446 -3.526 1.00 0.53 H new ATOM 0 HA2 GLY A 39 12.900 -4.182 -1.937 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.341 -2.534 -1.534 1.00 0.58 H new ATOM 579 N TYR A 40 10.490 -3.903 -0.537 1.00 0.47 N ATOM 580 CA TYR A 40 9.655 -4.094 0.640 1.00 0.47 C ATOM 581 C TYR A 40 9.325 -5.565 0.860 1.00 0.55 C ATOM 582 O TYR A 40 8.620 -6.188 0.063 1.00 0.71 O ATOM 583 CB TYR A 40 8.376 -3.261 0.548 1.00 0.47 C ATOM 584 CG TYR A 40 8.592 -1.819 0.935 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.476 -1.400 2.252 1.00 0.49 C ATOM 586 CD2 TYR A 40 8.901 -0.870 -0.028 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.660 -0.075 2.597 1.00 0.53 C ATOM 588 CE2 TYR A 40 9.084 0.456 0.306 1.00 0.52 C ATOM 589 CZ TYR A 40 9.014 0.828 1.671 1.00 0.53 C ATOM 590 OH TYR A 40 9.138 2.169 1.962 1.00 0.61 O ATOM 0 H TYR A 40 10.102 -4.281 -1.401 1.00 0.47 H new ATOM 0 HA TYR A 40 10.226 -3.749 1.502 1.00 0.47 H new ATOM 0 HB2 TYR A 40 7.990 -3.306 -0.471 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.616 -3.697 1.196 1.00 0.47 H new ATOM 0 HD1 TYR A 40 8.238 -2.121 3.020 1.00 0.49 H new ATOM 0 HD2 TYR A 40 9.000 -1.175 -1.059 1.00 0.48 H new ATOM 0 HE1 TYR A 40 8.518 0.236 3.621 1.00 0.53 H new ATOM 0 HE2 TYR A 40 9.277 1.195 -0.458 1.00 0.52 H new ATOM 0 HH TYR A 40 9.707 2.598 1.290 1.00 0.61 H new ATOM 600 N ASP A 41 9.864 -6.102 1.948 1.00 0.58 N ATOM 601 CA ASP A 41 9.642 -7.492 2.338 1.00 0.71 C ATOM 602 C ASP A 41 8.223 -7.695 2.846 1.00 0.66 C ATOM 603 O ASP A 41 7.551 -6.737 3.231 1.00 0.93 O ATOM 604 CB ASP A 41 10.628 -7.901 3.436 1.00 0.89 C ATOM 605 CG ASP A 41 12.073 -7.830 2.988 1.00 1.40 C ATOM 606 OD1 ASP A 41 12.586 -6.705 2.798 1.00 1.93 O ATOM 607 OD2 ASP A 41 12.703 -8.900 2.847 1.00 1.82 O ATOM 0 H ASP A 41 10.469 -5.586 2.587 1.00 0.58 H new ATOM 0 HA ASP A 41 9.796 -8.112 1.455 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.489 -7.253 4.301 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.403 -8.917 3.759 1.00 0.89 H new ATOM 612 N SER A 42 7.787 -8.951 2.859 1.00 0.63 N ATOM 613 CA SER A 42 6.444 -9.311 3.298 1.00 0.63 C ATOM 614 C SER A 42 6.118 -8.755 4.683 1.00 0.54 C ATOM 615 O SER A 42 5.047 -8.180 4.888 1.00 0.50 O ATOM 616 CB SER A 42 6.273 -10.832 3.291 1.00 0.77 C ATOM 617 OG SER A 42 7.552 -11.505 3.038 1.00 0.91 O ATOM 0 H SER A 42 8.354 -9.746 2.566 1.00 0.63 H new ATOM 0 HA SER A 42 5.745 -8.862 2.593 1.00 0.63 H new ATOM 0 HB2 SER A 42 5.869 -11.160 4.249 1.00 0.77 H new ATOM 0 HB3 SER A 42 5.551 -11.117 2.526 1.00 0.77 H new ATOM 622 N LEU A 43 7.038 -8.934 5.626 1.00 0.57 N ATOM 623 CA LEU A 43 6.840 -8.473 6.998 1.00 0.57 C ATOM 624 C LEU A 43 6.542 -6.976 7.036 1.00 0.48 C ATOM 625 O LEU A 43 5.524 -6.554 7.580 1.00 0.49 O ATOM 626 CB LEU A 43 8.073 -8.792 7.847 1.00 0.68 C ATOM 627 CG LEU A 43 7.971 -8.396 9.321 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.824 -9.134 9.995 1.00 0.90 C ATOM 629 CD2 LEU A 43 9.285 -8.678 10.031 1.00 1.32 C ATOM 0 H LEU A 43 7.932 -9.397 5.465 1.00 0.57 H new ATOM 0 HA LEU A 43 5.980 -8.999 7.413 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.267 -9.863 7.788 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.935 -8.287 7.411 1.00 0.68 H new ATOM 0 HG LEU A 43 7.767 -7.327 9.382 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.767 -8.839 11.043 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.887 -8.884 9.497 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.994 -10.209 9.929 1.00 0.90 H new ATOM 0 HD21 LEU A 43 9.201 -8.392 11.079 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.515 -9.741 9.962 1.00 1.32 H new ATOM 0 HD23 LEU A 43 10.083 -8.103 9.561 1.00 1.32 H new ATOM 641 N ALA A 44 7.414 -6.186 6.429 1.00 0.44 N ATOM 642 CA ALA A 44 7.246 -4.739 6.411 1.00 0.41 C ATOM 643 C ALA A 44 5.983 -4.351 5.648 1.00 0.34 C ATOM 644 O ALA A 44 5.308 -3.377 5.989 1.00 0.36 O ATOM 645 CB ALA A 44 8.466 -4.074 5.792 1.00 0.47 C ATOM 0 H ALA A 44 8.245 -6.521 5.942 1.00 0.44 H new ATOM 0 HA ALA A 44 7.143 -4.392 7.439 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.327 -2.993 5.785 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.352 -4.322 6.377 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.595 -4.430 4.770 1.00 0.47 H new ATOM 651 N LEU A 45 5.669 -5.125 4.619 1.00 0.35 N ATOM 652 CA LEU A 45 4.491 -4.879 3.800 1.00 0.35 C ATOM 653 C LEU A 45 3.207 -5.073 4.608 1.00 0.34 C ATOM 654 O LEU A 45 2.299 -4.241 4.550 1.00 0.36 O ATOM 655 CB LEU A 45 4.496 -5.806 2.579 1.00 0.43 C ATOM 656 CG LEU A 45 3.284 -5.682 1.651 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.180 -4.280 1.068 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.360 -6.715 0.539 1.00 0.74 C ATOM 0 H LEU A 45 6.218 -5.934 4.330 1.00 0.35 H new ATOM 0 HA LEU A 45 4.522 -3.843 3.461 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.397 -5.609 1.999 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.561 -6.837 2.928 1.00 0.43 H new ATOM 0 HG LEU A 45 2.387 -5.868 2.241 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.310 -4.222 0.413 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.075 -3.557 1.877 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.080 -4.056 0.496 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.491 -6.614 -0.112 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.269 -6.558 -0.042 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.374 -7.715 0.972 1.00 0.74 H new ATOM 670 N MET A 46 3.136 -6.158 5.373 1.00 0.36 N ATOM 671 CA MET A 46 1.935 -6.459 6.147 1.00 0.40 C ATOM 672 C MET A 46 1.776 -5.479 7.306 1.00 0.37 C ATOM 673 O MET A 46 0.659 -5.133 7.680 1.00 0.41 O ATOM 674 CB MET A 46 1.941 -7.917 6.642 1.00 0.49 C ATOM 675 CG MET A 46 2.999 -8.252 7.688 1.00 0.52 C ATOM 676 SD MET A 46 2.483 -7.867 9.375 1.00 1.21 S ATOM 677 CE MET A 46 1.046 -8.930 9.541 1.00 1.26 C ATOM 0 H MET A 46 3.889 -6.839 5.474 1.00 0.36 H new ATOM 0 HA MET A 46 1.073 -6.341 5.490 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.960 -8.145 7.058 1.00 0.49 H new ATOM 0 HB3 MET A 46 2.084 -8.573 5.783 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.241 -9.313 7.623 1.00 0.52 H new ATOM 0 HG3 MET A 46 3.912 -7.702 7.460 1.00 0.52 H new ATOM 0 HE1 MET A 46 0.933 -9.228 10.583 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.155 -8.391 9.219 1.00 1.26 H new ATOM 0 HE3 MET A 46 1.176 -9.817 8.922 1.00 1.26 H new ATOM 687 N GLU A 47 2.892 -5.024 7.865 1.00 0.37 N ATOM 688 CA GLU A 47 2.860 -4.003 8.903 1.00 0.42 C ATOM 689 C GLU A 47 2.302 -2.701 8.340 1.00 0.41 C ATOM 690 O GLU A 47 1.528 -2.002 8.998 1.00 0.47 O ATOM 691 CB GLU A 47 4.262 -3.780 9.485 1.00 0.48 C ATOM 692 CG GLU A 47 4.780 -4.963 10.289 1.00 0.62 C ATOM 693 CD GLU A 47 6.164 -4.728 10.861 1.00 1.21 C ATOM 694 OE1 GLU A 47 7.144 -4.778 10.095 1.00 2.20 O ATOM 695 OE2 GLU A 47 6.281 -4.508 12.089 1.00 1.18 O ATOM 0 H GLU A 47 3.828 -5.346 7.617 1.00 0.37 H new ATOM 0 HA GLU A 47 2.208 -4.344 9.707 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.956 -3.572 8.671 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.246 -2.896 10.123 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.087 -5.173 11.103 1.00 0.62 H new ATOM 0 HG3 GLU A 47 4.801 -5.847 9.652 1.00 0.62 H new ATOM 702 N THR A 48 2.690 -2.394 7.109 1.00 0.37 N ATOM 703 CA THR A 48 2.213 -1.202 6.426 1.00 0.42 C ATOM 704 C THR A 48 0.706 -1.279 6.174 1.00 0.40 C ATOM 705 O THR A 48 -0.001 -0.274 6.269 1.00 0.43 O ATOM 706 CB THR A 48 2.949 -0.994 5.088 1.00 0.45 C ATOM 707 OG1 THR A 48 4.367 -0.953 5.313 1.00 0.47 O ATOM 708 CG2 THR A 48 2.501 0.298 4.423 1.00 0.54 C ATOM 0 H THR A 48 3.338 -2.960 6.561 1.00 0.37 H new ATOM 0 HA THR A 48 2.420 -0.353 7.077 1.00 0.42 H new ATOM 0 HB THR A 48 2.708 -1.828 4.429 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.683 -1.843 5.575 1.00 0.47 H new ATOM 0 HG21 THR A 48 3.033 0.425 3.480 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.429 0.256 4.232 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.720 1.140 5.080 1.00 0.54 H new ATOM 716 N ALA A 49 0.223 -2.478 5.859 1.00 0.40 N ATOM 717 CA ALA A 49 -1.194 -2.688 5.569 1.00 0.39 C ATOM 718 C ALA A 49 -2.079 -2.243 6.727 1.00 0.34 C ATOM 719 O ALA A 49 -3.132 -1.635 6.518 1.00 0.33 O ATOM 720 CB ALA A 49 -1.458 -4.149 5.232 1.00 0.46 C ATOM 0 H ALA A 49 0.793 -3.321 5.798 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.447 -2.074 4.705 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.518 -4.287 5.019 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -0.872 -4.432 4.358 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.173 -4.775 6.078 1.00 0.46 H new ATOM 726 N ALA A 50 -1.623 -2.514 7.949 1.00 0.37 N ATOM 727 CA ALA A 50 -2.383 -2.186 9.150 1.00 0.40 C ATOM 728 C ALA A 50 -2.633 -0.689 9.232 1.00 0.39 C ATOM 729 O ALA A 50 -3.640 -0.243 9.786 1.00 0.44 O ATOM 730 CB ALA A 50 -1.650 -2.666 10.393 1.00 0.49 C ATOM 0 H ALA A 50 -0.725 -2.963 8.132 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.345 -2.696 9.095 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.232 -2.413 11.279 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.518 -3.747 10.343 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.674 -2.183 10.449 1.00 0.49 H new ATOM 736 N ARG A 51 -1.705 0.079 8.675 1.00 0.37 N ATOM 737 CA ARG A 51 -1.827 1.524 8.624 1.00 0.44 C ATOM 738 C ARG A 51 -3.053 1.932 7.822 1.00 0.40 C ATOM 739 O ARG A 51 -3.966 2.564 8.344 1.00 0.52 O ATOM 740 CB ARG A 51 -0.582 2.140 7.991 1.00 0.52 C ATOM 741 CG ARG A 51 0.596 2.247 8.937 1.00 0.68 C ATOM 742 CD ARG A 51 0.312 3.249 10.043 1.00 0.95 C ATOM 743 NE ARG A 51 1.413 3.363 11.000 1.00 1.47 N ATOM 744 CZ ARG A 51 1.523 4.362 11.874 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.660 5.366 11.841 1.00 1.94 N ATOM 746 NH2 ARG A 51 2.508 4.375 12.760 1.00 2.86 N ATOM 0 H ARG A 51 -0.852 -0.283 8.249 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.932 1.889 9.646 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.290 1.541 7.129 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.829 3.134 7.619 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.809 1.270 9.371 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.485 2.551 8.385 1.00 0.68 H new ATOM 0 HD2 ARG A 51 0.118 4.226 9.601 1.00 0.95 H new ATOM 0 HD3 ARG A 51 -0.594 2.953 10.572 1.00 0.95 H new ATOM 0 HE ARG A 51 2.133 2.641 10.998 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -0.087 5.373 11.147 1.00 1.94 H new ATOM 0 HH12 ARG A 51 0.743 6.132 12.510 1.00 1.94 H new ATOM 0 HH21 ARG A 51 3.189 3.616 12.776 1.00 2.86 H new ATOM 0 HH22 ARG A 51 2.585 5.144 13.426 1.00 2.86 H new ATOM 760 N LEU A 52 -3.070 1.546 6.554 1.00 0.32 N ATOM 761 CA LEU A 52 -4.140 1.935 5.641 1.00 0.31 C ATOM 762 C LEU A 52 -5.492 1.428 6.130 1.00 0.27 C ATOM 763 O LEU A 52 -6.481 2.165 6.119 1.00 0.30 O ATOM 764 CB LEU A 52 -3.861 1.398 4.238 1.00 0.35 C ATOM 765 CG LEU A 52 -2.540 1.854 3.617 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.356 1.224 2.246 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.494 3.372 3.514 1.00 0.56 C ATOM 0 H LEU A 52 -2.351 0.960 6.130 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.173 3.024 5.609 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -3.870 0.309 4.275 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.676 1.701 3.581 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.724 1.528 4.262 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.412 1.558 1.816 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.347 0.138 2.343 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.177 1.524 1.595 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.547 3.678 3.070 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.317 3.719 2.889 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.585 3.807 4.509 1.00 0.56 H new ATOM 779 N GLU A 53 -5.520 0.176 6.572 1.00 0.25 N ATOM 780 CA GLU A 53 -6.750 -0.441 7.054 1.00 0.26 C ATOM 781 C GLU A 53 -7.338 0.333 8.228 1.00 0.30 C ATOM 782 O GLU A 53 -8.477 0.795 8.164 1.00 0.36 O ATOM 783 CB GLU A 53 -6.513 -1.903 7.444 1.00 0.27 C ATOM 784 CG GLU A 53 -6.128 -2.777 6.264 1.00 0.32 C ATOM 785 CD GLU A 53 -6.007 -4.242 6.627 1.00 0.41 C ATOM 786 OE1 GLU A 53 -4.909 -4.658 7.049 1.00 0.51 O ATOM 787 OE2 GLU A 53 -6.999 -4.984 6.500 1.00 0.48 O ATOM 0 H GLU A 53 -4.703 -0.433 6.607 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.471 -0.413 6.237 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.725 -1.950 8.196 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.417 -2.302 7.905 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -6.873 -2.664 5.477 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.179 -2.430 5.856 1.00 0.32 H new ATOM 794 N SER A 54 -6.557 0.491 9.288 1.00 0.36 N ATOM 795 CA SER A 54 -7.034 1.153 10.497 1.00 0.46 C ATOM 796 C SER A 54 -7.310 2.641 10.260 1.00 0.43 C ATOM 797 O SER A 54 -8.206 3.219 10.872 1.00 0.53 O ATOM 798 CB SER A 54 -6.007 0.982 11.614 1.00 0.59 C ATOM 799 OG SER A 54 -5.616 -0.375 11.734 1.00 1.42 O ATOM 0 H SER A 54 -5.590 0.170 9.336 1.00 0.36 H new ATOM 0 HA SER A 54 -7.976 0.687 10.787 1.00 0.46 H new ATOM 0 HB2 SER A 54 -5.133 1.600 11.409 1.00 0.59 H new ATOM 0 HB3 SER A 54 -6.428 1.329 12.558 1.00 0.59 H new ATOM 0 HG SER A 54 -4.901 -0.568 11.092 1.00 1.42 H new ATOM 805 N ARG A 55 -6.542 3.250 9.364 1.00 0.37 N ATOM 806 CA ARG A 55 -6.628 4.687 9.121 1.00 0.40 C ATOM 807 C ARG A 55 -7.882 5.045 8.323 1.00 0.40 C ATOM 808 O ARG A 55 -8.597 5.986 8.669 1.00 0.47 O ATOM 809 CB ARG A 55 -5.369 5.160 8.384 1.00 0.47 C ATOM 810 CG ARG A 55 -5.311 6.656 8.114 1.00 0.66 C ATOM 811 CD ARG A 55 -3.967 7.052 7.515 1.00 0.87 C ATOM 812 NE ARG A 55 -3.962 8.421 7.000 1.00 1.14 N ATOM 813 CZ ARG A 55 -2.861 9.074 6.620 1.00 1.64 C ATOM 814 NH1 ARG A 55 -1.670 8.496 6.733 1.00 1.89 N ATOM 815 NH2 ARG A 55 -2.955 10.311 6.141 1.00 2.42 N ATOM 0 H ARG A 55 -5.849 2.769 8.791 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.697 5.195 10.083 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.494 4.877 8.970 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.301 4.631 7.434 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.114 6.937 7.432 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -5.475 7.203 9.042 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -3.191 6.950 8.274 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -3.716 6.363 6.708 1.00 0.87 H new ATOM 0 HE ARG A 55 -4.856 8.907 6.927 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -1.595 7.551 7.111 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -0.830 8.997 6.442 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -3.868 10.760 6.064 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -2.115 10.811 5.850 1.00 2.42 H new ATOM 829 N TYR A 56 -8.153 4.294 7.263 1.00 0.38 N ATOM 830 CA TYR A 56 -9.270 4.611 6.378 1.00 0.46 C ATOM 831 C TYR A 56 -10.492 3.748 6.669 1.00 0.51 C ATOM 832 O TYR A 56 -11.540 3.918 6.044 1.00 0.71 O ATOM 833 CB TYR A 56 -8.843 4.479 4.915 1.00 0.52 C ATOM 834 CG TYR A 56 -7.884 5.562 4.497 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.342 6.772 3.996 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.517 5.359 4.578 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.457 7.749 3.588 1.00 0.85 C ATOM 838 CE2 TYR A 56 -5.628 6.327 4.169 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.141 7.592 3.774 1.00 0.91 C ATOM 840 OH TYR A 56 -5.214 8.477 3.260 1.00 1.08 O ATOM 0 H TYR A 56 -7.620 3.467 6.995 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.558 5.645 6.567 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.377 3.506 4.762 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -9.726 4.513 4.277 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.405 6.952 3.924 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.142 4.425 4.969 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -7.829 8.646 3.116 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.566 6.130 4.149 1.00 0.81 H new ATOM 0 HH TYR A 56 -4.428 8.504 3.845 1.00 1.08 H new ATOM 850 N GLY A 57 -10.357 2.833 7.620 1.00 0.41 N ATOM 851 CA GLY A 57 -11.484 2.010 8.024 1.00 0.46 C ATOM 852 C GLY A 57 -11.811 0.930 7.014 1.00 0.43 C ATOM 853 O GLY A 57 -12.983 0.641 6.759 1.00 0.58 O ATOM 0 H GLY A 57 -9.488 2.645 8.120 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.264 1.547 8.986 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.359 2.644 8.168 1.00 0.46 H new ATOM 857 N VAL A 58 -10.781 0.325 6.445 1.00 0.32 N ATOM 858 CA VAL A 58 -10.972 -0.713 5.445 1.00 0.33 C ATOM 859 C VAL A 58 -10.477 -2.054 5.960 1.00 0.33 C ATOM 860 O VAL A 58 -9.944 -2.145 7.066 1.00 0.34 O ATOM 861 CB VAL A 58 -10.259 -0.384 4.113 1.00 0.35 C ATOM 862 CG1 VAL A 58 -10.800 0.903 3.520 1.00 0.45 C ATOM 863 CG2 VAL A 58 -8.754 -0.285 4.308 1.00 0.30 C ATOM 0 H VAL A 58 -9.806 0.534 6.658 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.044 -0.764 5.252 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.459 -1.199 3.417 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.285 1.117 2.583 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -11.868 0.796 3.331 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.636 1.723 4.219 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.278 -0.053 3.355 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.531 0.504 5.027 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.372 -1.235 4.682 1.00 0.30 H new ATOM 873 N SER A 59 -10.656 -3.087 5.154 1.00 0.39 N ATOM 874 CA SER A 59 -10.182 -4.414 5.489 1.00 0.49 C ATOM 875 C SER A 59 -9.644 -5.101 4.240 1.00 0.48 C ATOM 876 O SER A 59 -10.378 -5.308 3.272 1.00 0.51 O ATOM 877 CB SER A 59 -11.313 -5.245 6.093 1.00 0.65 C ATOM 878 OG SER A 59 -11.835 -4.631 7.262 1.00 1.62 O ATOM 0 H SER A 59 -11.132 -3.027 4.254 1.00 0.39 H new ATOM 0 HA SER A 59 -9.382 -4.326 6.224 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.109 -5.369 5.358 1.00 0.65 H new ATOM 0 HB3 SER A 59 -10.945 -6.242 6.336 1.00 0.65 H new ATOM 0 HG SER A 59 -12.558 -5.183 7.626 1.00 1.62 H new ATOM 884 N ILE A 60 -8.364 -5.428 4.256 1.00 0.46 N ATOM 885 CA ILE A 60 -7.739 -6.116 3.142 1.00 0.46 C ATOM 886 C ILE A 60 -7.744 -7.618 3.402 1.00 0.54 C ATOM 887 O ILE A 60 -7.038 -8.103 4.292 1.00 0.60 O ATOM 888 CB ILE A 60 -6.289 -5.638 2.909 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.247 -4.113 2.723 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.692 -6.344 1.697 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.846 -3.547 2.599 1.00 0.45 C ATOM 0 H ILE A 60 -7.735 -5.227 5.033 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.314 -5.886 2.245 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.693 -5.890 3.786 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.815 -3.850 1.830 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.746 -3.640 3.569 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.670 -5.999 1.542 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.690 -7.421 1.867 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.289 -6.118 0.814 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.900 -2.466 2.470 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.279 -3.777 3.501 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.350 -3.990 1.736 1.00 0.45 H new ATOM 903 N PRO A 61 -8.576 -8.367 2.662 1.00 0.59 N ATOM 904 CA PRO A 61 -8.680 -9.815 2.818 1.00 0.69 C ATOM 905 C PRO A 61 -7.371 -10.515 2.483 1.00 0.62 C ATOM 906 O PRO A 61 -6.692 -10.152 1.518 1.00 0.57 O ATOM 907 CB PRO A 61 -9.776 -10.223 1.824 1.00 0.81 C ATOM 908 CG PRO A 61 -10.497 -8.960 1.496 1.00 0.79 C ATOM 909 CD PRO A 61 -9.483 -7.862 1.623 1.00 0.62 C ATOM 0 HA PRO A 61 -8.909 -10.095 3.846 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.348 -10.675 0.930 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.450 -10.959 2.262 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.909 -8.996 0.488 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.333 -8.800 2.176 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.961 -7.685 0.683 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.944 -6.918 1.914 1.00 0.62 H new ATOM 917 N ASP A 62 -7.033 -11.526 3.275 1.00 0.76 N ATOM 918 CA ASP A 62 -5.798 -12.286 3.088 1.00 0.82 C ATOM 919 C ASP A 62 -5.772 -12.977 1.726 1.00 0.67 C ATOM 920 O ASP A 62 -4.730 -13.449 1.278 1.00 0.77 O ATOM 921 CB ASP A 62 -5.642 -13.331 4.194 1.00 1.11 C ATOM 922 CG ASP A 62 -6.741 -14.377 4.168 1.00 1.39 C ATOM 923 OD1 ASP A 62 -7.840 -14.108 4.700 1.00 1.96 O ATOM 924 OD2 ASP A 62 -6.516 -15.467 3.608 1.00 1.99 O ATOM 0 H ASP A 62 -7.602 -11.842 4.061 1.00 0.76 H new ATOM 0 HA ASP A 62 -4.968 -11.581 3.135 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -4.675 -13.823 4.090 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -5.643 -12.832 5.163 1.00 1.11 H new ATOM 929 N ASP A 63 -6.926 -13.022 1.072 1.00 0.66 N ATOM 930 CA ASP A 63 -7.046 -13.646 -0.236 1.00 0.71 C ATOM 931 C ASP A 63 -6.466 -12.744 -1.320 1.00 0.58 C ATOM 932 O ASP A 63 -5.508 -13.111 -1.996 1.00 0.62 O ATOM 933 CB ASP A 63 -8.517 -13.946 -0.534 1.00 0.96 C ATOM 934 CG ASP A 63 -8.739 -14.476 -1.937 1.00 1.67 C ATOM 935 OD1 ASP A 63 -8.383 -15.647 -2.200 1.00 2.03 O ATOM 936 OD2 ASP A 63 -9.254 -13.722 -2.786 1.00 2.44 O ATOM 0 H ASP A 63 -7.797 -12.630 1.431 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.482 -14.579 -0.229 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -8.887 -14.675 0.187 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -9.103 -13.037 -0.398 1.00 0.96 H new ATOM 941 N VAL A 64 -7.033 -11.552 -1.462 1.00 0.57 N ATOM 942 CA VAL A 64 -6.603 -10.622 -2.499 1.00 0.58 C ATOM 943 C VAL A 64 -5.257 -9.981 -2.146 1.00 0.53 C ATOM 944 O VAL A 64 -4.572 -9.419 -3.003 1.00 0.59 O ATOM 945 CB VAL A 64 -7.663 -9.529 -2.745 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.733 -8.573 -1.571 1.00 1.10 C ATOM 947 CG2 VAL A 64 -7.395 -8.788 -4.045 1.00 1.14 C ATOM 0 H VAL A 64 -7.791 -11.207 -0.873 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.481 -11.196 -3.417 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.634 -10.015 -2.839 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.487 -7.811 -1.767 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -7.999 -9.124 -0.669 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -6.763 -8.096 -1.432 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -8.158 -8.024 -4.192 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -6.413 -8.317 -3.999 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -7.421 -9.492 -4.877 1.00 1.14 H new ATOM 957 N ALA A 65 -4.873 -10.097 -0.879 1.00 0.52 N ATOM 958 CA ALA A 65 -3.592 -9.579 -0.415 1.00 0.58 C ATOM 959 C ALA A 65 -2.435 -10.266 -1.129 1.00 0.56 C ATOM 960 O ALA A 65 -1.384 -9.671 -1.355 1.00 0.68 O ATOM 961 CB ALA A 65 -3.464 -9.747 1.090 1.00 0.67 C ATOM 0 H ALA A 65 -5.432 -10.546 -0.154 1.00 0.52 H new ATOM 0 HA ALA A 65 -3.551 -8.516 -0.651 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -2.502 -9.355 1.419 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.267 -9.202 1.587 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.531 -10.805 1.345 1.00 0.67 H new ATOM 967 N GLY A 66 -2.651 -11.516 -1.506 1.00 0.50 N ATOM 968 CA GLY A 66 -1.625 -12.268 -2.200 1.00 0.56 C ATOM 969 C GLY A 66 -1.812 -12.230 -3.704 1.00 0.58 C ATOM 970 O GLY A 66 -1.456 -13.179 -4.407 1.00 0.77 O ATOM 0 H GLY A 66 -3.520 -12.025 -1.344 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.645 -11.864 -1.946 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.641 -13.303 -1.859 1.00 0.56 H new ATOM 974 N ARG A 67 -2.377 -11.137 -4.203 1.00 0.55 N ATOM 975 CA ARG A 67 -2.635 -10.983 -5.633 1.00 0.63 C ATOM 976 C ARG A 67 -2.124 -9.635 -6.138 1.00 0.58 C ATOM 977 O ARG A 67 -1.953 -9.435 -7.341 1.00 0.78 O ATOM 978 CB ARG A 67 -4.136 -11.093 -5.918 1.00 0.77 C ATOM 979 CG ARG A 67 -4.762 -12.413 -5.498 1.00 0.93 C ATOM 980 CD ARG A 67 -4.474 -13.530 -6.492 1.00 1.10 C ATOM 981 NE ARG A 67 -3.088 -14.002 -6.441 1.00 1.82 N ATOM 982 CZ ARG A 67 -2.569 -14.871 -7.311 1.00 2.63 C ATOM 983 NH1 ARG A 67 -3.317 -15.353 -8.298 1.00 2.86 N ATOM 984 NH2 ARG A 67 -1.307 -15.263 -7.195 1.00 3.63 N ATOM 0 H ARG A 67 -2.667 -10.340 -3.637 1.00 0.55 H new ATOM 0 HA ARG A 67 -2.105 -11.780 -6.155 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.651 -10.281 -5.404 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -4.302 -10.950 -6.986 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -4.383 -12.696 -4.516 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -5.840 -12.286 -5.399 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -5.144 -14.367 -6.293 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -4.695 -13.177 -7.500 1.00 1.10 H new ATOM 0 HE ARG A 67 -2.486 -13.646 -5.699 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -4.289 -15.059 -8.392 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -2.919 -16.017 -8.962 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -0.728 -14.900 -6.438 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -0.916 -15.927 -7.863 1.00 3.63 H new ATOM 998 N VAL A 68 -1.880 -8.716 -5.212 1.00 0.50 N ATOM 999 CA VAL A 68 -1.462 -7.363 -5.568 1.00 0.48 C ATOM 1000 C VAL A 68 0.062 -7.243 -5.619 1.00 0.54 C ATOM 1001 O VAL A 68 0.744 -7.297 -4.597 1.00 0.95 O ATOM 1002 CB VAL A 68 -2.049 -6.324 -4.579 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.555 -6.218 -4.759 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.715 -6.682 -3.134 1.00 0.89 C ATOM 0 H VAL A 68 -1.964 -8.881 -4.209 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.851 -7.154 -6.565 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.595 -5.358 -4.799 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.954 -5.485 -4.058 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.778 -5.905 -5.779 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -4.013 -7.189 -4.569 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -2.141 -5.934 -2.466 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -2.132 -7.660 -2.896 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.633 -6.708 -3.006 1.00 0.89 H new ATOM 1014 N ASP A 69 0.601 -7.102 -6.825 1.00 0.38 N ATOM 1015 CA ASP A 69 2.045 -7.020 -6.994 1.00 0.43 C ATOM 1016 C ASP A 69 2.516 -5.567 -6.992 1.00 0.34 C ATOM 1017 O ASP A 69 3.517 -5.238 -6.356 1.00 0.41 O ATOM 1018 CB ASP A 69 2.497 -7.742 -8.279 1.00 0.65 C ATOM 1019 CG ASP A 69 2.021 -7.074 -9.556 1.00 0.97 C ATOM 1020 OD1 ASP A 69 0.793 -6.957 -9.752 1.00 1.75 O ATOM 1021 OD2 ASP A 69 2.875 -6.672 -10.375 1.00 1.65 O ATOM 0 H ASP A 69 0.065 -7.043 -7.691 1.00 0.38 H new ATOM 0 HA ASP A 69 2.507 -7.525 -6.146 1.00 0.43 H new ATOM 0 HB2 ASP A 69 3.586 -7.795 -8.291 1.00 0.65 H new ATOM 0 HB3 ASP A 69 2.129 -8.768 -8.257 1.00 0.65 H new ATOM 1026 N THR A 70 1.791 -4.696 -7.684 1.00 0.34 N ATOM 1027 CA THR A 70 2.145 -3.284 -7.731 1.00 0.31 C ATOM 1028 C THR A 70 1.250 -2.463 -6.806 1.00 0.28 C ATOM 1029 O THR A 70 0.082 -2.800 -6.596 1.00 0.28 O ATOM 1030 CB THR A 70 2.038 -2.712 -9.164 1.00 0.39 C ATOM 1031 OG1 THR A 70 0.710 -2.883 -9.666 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.025 -3.390 -10.096 1.00 0.44 C ATOM 0 H THR A 70 0.958 -4.942 -8.218 1.00 0.34 H new ATOM 0 HA THR A 70 3.181 -3.213 -7.399 1.00 0.31 H new ATOM 0 HB THR A 70 2.275 -1.649 -9.120 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.716 -3.544 -10.389 1.00 0.50 H new ATOM 0 HG21 THR A 70 2.929 -2.969 -11.097 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.039 -3.229 -9.731 1.00 0.44 H new ATOM 0 HG23 THR A 70 2.817 -4.459 -10.131 1.00 0.44 H new ATOM 1040 N PRO A 71 1.801 -1.392 -6.214 1.00 0.29 N ATOM 1041 CA PRO A 71 1.017 -0.402 -5.476 1.00 0.29 C ATOM 1042 C PRO A 71 -0.162 0.109 -6.302 1.00 0.27 C ATOM 1043 O PRO A 71 -1.221 0.410 -5.758 1.00 0.28 O ATOM 1044 CB PRO A 71 2.032 0.715 -5.220 1.00 0.34 C ATOM 1045 CG PRO A 71 3.334 0.006 -5.147 1.00 0.38 C ATOM 1046 CD PRO A 71 3.241 -1.087 -6.172 1.00 0.35 C ATOM 0 HA PRO A 71 0.574 -0.804 -4.565 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.024 1.453 -6.022 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.815 1.247 -4.294 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.163 0.680 -5.363 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.506 -0.401 -4.151 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.611 -0.760 -7.144 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.828 -1.959 -5.884 1.00 0.35 H new ATOM 1054 N ARG A 72 0.039 0.212 -7.617 1.00 0.32 N ATOM 1055 CA ARG A 72 -1.030 0.580 -8.542 1.00 0.37 C ATOM 1056 C ARG A 72 -2.236 -0.352 -8.375 1.00 0.35 C ATOM 1057 O ARG A 72 -3.367 0.113 -8.232 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.496 0.570 -9.991 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.501 0.115 -11.048 1.00 0.83 C ATOM 1060 CD ARG A 72 -2.585 1.153 -11.301 1.00 1.15 C ATOM 1061 NE ARG A 72 -2.064 2.334 -11.992 1.00 1.76 N ATOM 1062 CZ ARG A 72 -2.831 3.291 -12.517 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -4.155 3.204 -12.456 1.00 3.22 N ATOM 1064 NH2 ARG A 72 -2.270 4.323 -13.132 1.00 3.56 N ATOM 0 H ARG A 72 0.939 0.044 -8.066 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.369 1.590 -8.313 1.00 0.37 H new ATOM 0 HB2 ARG A 72 -0.156 1.574 -10.244 1.00 0.49 H new ATOM 0 HB3 ARG A 72 0.376 -0.082 -10.036 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -0.975 -0.092 -11.980 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -1.963 -0.819 -10.728 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -3.382 0.707 -11.896 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -3.027 1.454 -10.351 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.052 2.431 -12.077 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -4.593 2.401 -12.005 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -4.734 3.940 -12.860 1.00 3.22 H new ATOM 0 HH21 ARG A 72 -1.254 4.384 -13.203 1.00 3.56 H new ATOM 0 HH22 ARG A 72 -2.854 5.056 -13.534 1.00 3.56 H new ATOM 1078 N GLU A 73 -1.981 -1.661 -8.358 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.047 -2.649 -8.185 1.00 0.39 C ATOM 1080 C GLU A 73 -3.698 -2.485 -6.818 1.00 0.36 C ATOM 1081 O GLU A 73 -4.926 -2.492 -6.689 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.493 -4.074 -8.310 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.914 -4.400 -9.675 1.00 0.56 C ATOM 1084 CD GLU A 73 -2.961 -4.416 -10.765 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -3.641 -5.449 -10.931 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -3.118 -3.385 -11.457 1.00 2.43 O ATOM 0 H GLU A 73 -1.048 -2.061 -8.462 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.789 -2.485 -8.967 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.719 -4.218 -7.556 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.291 -4.783 -8.088 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -1.147 -3.666 -9.924 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.423 -5.372 -9.634 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.855 -2.324 -5.806 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.299 -2.205 -4.423 1.00 0.34 C ATOM 1095 C LEU A 74 -4.191 -0.977 -4.246 1.00 0.33 C ATOM 1096 O LEU A 74 -5.295 -1.070 -3.701 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.067 -2.131 -3.504 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.306 -2.417 -2.016 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -2.873 -1.202 -1.305 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.226 -3.616 -1.845 1.00 0.98 C ATOM 0 H LEU A 74 -1.843 -2.272 -5.921 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.891 -3.080 -4.155 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.323 -2.838 -3.872 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.633 -1.135 -3.595 1.00 0.34 H new ATOM 0 HG LEU A 74 -1.343 -2.650 -1.561 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -3.031 -1.437 -0.252 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -2.173 -0.371 -1.390 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -3.823 -0.924 -1.761 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.385 -3.804 -0.783 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -4.183 -3.411 -2.324 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -2.770 -4.493 -2.305 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.703 0.166 -4.715 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.442 1.419 -4.626 1.00 0.33 C ATOM 1114 C LEU A 75 -5.783 1.305 -5.337 1.00 0.35 C ATOM 1115 O LEU A 75 -6.817 1.661 -4.778 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.630 2.570 -5.236 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.225 3.968 -5.055 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.241 4.353 -3.586 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.438 4.986 -5.866 1.00 0.91 C ATOM 0 H LEU A 75 -2.791 0.250 -5.164 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.619 1.630 -3.571 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.632 2.560 -4.797 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.510 2.381 -6.303 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.253 3.958 -5.417 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.667 5.350 -3.476 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -4.845 3.637 -3.029 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -3.223 4.349 -3.198 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -3.873 5.976 -5.728 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.401 4.995 -5.531 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.476 4.718 -6.922 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.752 0.796 -6.564 1.00 0.39 N ATOM 1132 CA ASP A 76 -6.955 0.637 -7.372 1.00 0.44 C ATOM 1133 C ASP A 76 -7.999 -0.209 -6.650 1.00 0.40 C ATOM 1134 O ASP A 76 -9.186 0.120 -6.645 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.595 -0.006 -8.711 1.00 0.55 C ATOM 1136 CG ASP A 76 -7.782 -0.131 -9.645 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.095 0.848 -10.357 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.418 -1.206 -9.654 1.00 1.43 O ATOM 0 H ASP A 76 -4.897 0.484 -7.024 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.384 1.624 -7.545 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -5.819 0.587 -9.196 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.175 -0.996 -8.531 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.538 -1.277 -6.014 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.415 -2.204 -5.309 1.00 0.38 C ATOM 1145 C LEU A 77 -9.163 -1.503 -4.176 1.00 0.34 C ATOM 1146 O LEU A 77 -10.396 -1.509 -4.137 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.593 -3.368 -4.747 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.380 -4.385 -3.919 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -9.329 -5.184 -4.801 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -7.428 -5.308 -3.175 1.00 1.66 C ATOM 0 H LEU A 77 -6.550 -1.525 -5.972 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.151 -2.584 -6.018 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -7.118 -3.890 -5.578 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.794 -2.961 -4.128 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.979 -3.844 -3.187 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.877 -5.901 -4.190 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -10.033 -4.507 -5.285 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.758 -5.718 -5.560 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -8.001 -6.027 -2.590 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.803 -5.840 -3.892 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.797 -4.720 -2.509 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.409 -0.893 -3.269 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.984 -0.241 -2.097 1.00 0.31 C ATOM 1164 C ILE A 78 -9.811 0.978 -2.496 1.00 0.34 C ATOM 1165 O ILE A 78 -10.923 1.173 -2.000 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.885 0.182 -1.097 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.046 -1.030 -0.688 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.509 0.834 0.132 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.925 -0.695 0.268 1.00 0.40 C ATOM 0 H ILE A 78 -7.392 -0.836 -3.323 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.638 -0.967 -1.613 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.234 0.909 -1.582 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.697 -1.772 -0.226 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.625 -1.488 -1.583 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.722 1.127 0.828 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.072 1.717 -0.171 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.179 0.125 0.619 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.373 -1.602 0.514 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.252 0.024 -0.199 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.340 -0.265 1.179 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.272 1.782 -3.405 1.00 0.36 N ATOM 1182 CA ASN A 79 -9.936 3.005 -3.843 1.00 0.44 C ATOM 1183 C ASN A 79 -11.283 2.678 -4.481 1.00 0.44 C ATOM 1184 O ASN A 79 -12.285 3.337 -4.208 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.054 3.755 -4.846 1.00 0.53 C ATOM 1186 CG ASN A 79 -9.473 5.199 -5.034 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -10.363 5.504 -5.826 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.806 6.103 -4.330 1.00 0.78 N ATOM 0 H ASN A 79 -8.373 1.608 -3.855 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.103 3.639 -2.972 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -8.019 3.723 -4.507 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -9.090 3.243 -5.808 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -9.024 7.094 -4.435 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -8.075 5.808 -3.683 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.299 1.630 -5.303 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.527 1.207 -5.954 1.00 0.47 C ATOM 1197 C GLY A 80 -13.553 0.671 -4.974 1.00 0.48 C ATOM 1198 O GLY A 80 -14.756 0.801 -5.190 1.00 0.54 O ATOM 0 H GLY A 80 -10.480 1.065 -5.530 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -12.955 2.050 -6.497 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.297 0.437 -6.690 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.078 0.078 -3.883 1.00 0.49 N ATOM 1203 CA ALA A 81 -13.966 -0.435 -2.847 1.00 0.56 C ATOM 1204 C ALA A 81 -14.582 0.710 -2.050 1.00 0.61 C ATOM 1205 O ALA A 81 -15.722 0.622 -1.594 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.220 -1.387 -1.921 1.00 0.60 C ATOM 0 H ALA A 81 -12.085 -0.059 -3.694 1.00 0.49 H new ATOM 0 HA ALA A 81 -14.770 -0.988 -3.333 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -13.901 -1.758 -1.155 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -12.831 -2.226 -2.498 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.393 -0.859 -1.446 1.00 0.60 H new ATOM 1212 N LEU A 82 -13.828 1.792 -1.905 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.305 2.969 -1.191 1.00 0.64 C ATOM 1214 C LEU A 82 -15.396 3.682 -1.980 1.00 0.70 C ATOM 1215 O LEU A 82 -16.221 4.398 -1.410 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.149 3.927 -0.914 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.112 3.415 0.085 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -10.936 4.377 0.180 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -12.745 3.218 1.452 1.00 0.85 C ATOM 0 H LEU A 82 -12.881 1.879 -2.274 1.00 0.57 H new ATOM 0 HA LEU A 82 -14.728 2.639 -0.242 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.646 4.148 -1.856 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.557 4.867 -0.542 1.00 0.64 H new ATOM 0 HG LEU A 82 -11.741 2.453 -0.269 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.209 3.994 0.896 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.465 4.473 -0.798 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.290 5.354 0.510 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -11.993 2.853 2.152 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.143 4.168 1.809 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -13.554 2.491 1.377 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.409 3.467 -3.290 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.410 4.076 -4.158 1.00 0.71 C ATOM 1233 C ALA A 83 -17.808 3.546 -3.847 1.00 0.85 C ATOM 1234 O ALA A 83 -18.810 4.141 -4.242 1.00 1.05 O ATOM 1235 CB ALA A 83 -16.065 3.831 -5.617 1.00 0.70 C ATOM 0 H ALA A 83 -14.736 2.874 -3.776 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.408 5.150 -3.971 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.822 4.292 -6.252 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -15.091 4.267 -5.839 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -16.035 2.758 -5.809 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.865 2.424 -3.139 1.00 0.89 N ATOM 1242 CA GLU A 84 -19.133 1.824 -2.752 1.00 1.11 C ATOM 1243 C GLU A 84 -19.337 1.922 -1.242 1.00 1.29 C ATOM 1244 O GLU A 84 -20.211 1.266 -0.678 1.00 1.58 O ATOM 1245 CB GLU A 84 -19.179 0.363 -3.196 1.00 1.25 C ATOM 1246 CG GLU A 84 -19.104 0.177 -4.703 1.00 1.81 C ATOM 1247 CD GLU A 84 -19.135 -1.282 -5.101 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -18.064 -1.922 -5.107 1.00 2.67 O ATOM 1249 OE2 GLU A 84 -20.229 -1.792 -5.416 1.00 2.39 O ATOM 0 H GLU A 84 -17.043 1.911 -2.821 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.938 2.370 -3.244 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -18.352 -0.174 -2.731 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -20.100 -0.090 -2.829 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -19.938 0.698 -5.174 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -18.189 0.635 -5.079 1.00 1.81 H new ATOM 1256 N ALA A 85 -18.528 2.750 -0.596 1.00 1.27 N ATOM 1257 CA ALA A 85 -18.623 2.947 0.843 1.00 1.57 C ATOM 1258 C ALA A 85 -18.973 4.398 1.158 1.00 1.83 C ATOM 1259 O ALA A 85 -18.798 4.867 2.286 1.00 2.45 O ATOM 1260 CB ALA A 85 -17.315 2.553 1.511 1.00 1.74 C ATOM 0 H ALA A 85 -17.796 3.298 -1.048 1.00 1.27 H new ATOM 0 HA ALA A 85 -19.417 2.312 1.234 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -17.396 2.704 2.587 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -17.104 1.503 1.307 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -16.506 3.169 1.118 1.00 1.74 H new ATOM 1266 N ALA A 86 -19.473 5.100 0.154 1.00 2.09 N ATOM 1267 CA ALA A 86 -19.851 6.495 0.300 1.00 2.63 C ATOM 1268 C ALA A 86 -21.362 6.616 0.430 1.00 3.28 C ATOM 1269 O ALA A 86 -21.839 7.650 0.937 1.00 3.73 O ATOM 1270 CB ALA A 86 -19.349 7.307 -0.887 1.00 3.12 C ATOM 1271 OXT ALA A 86 -22.068 5.665 0.034 1.00 3.82 O ATOM 0 H ALA A 86 -19.627 4.721 -0.780 1.00 2.09 H new ATOM 0 HA ALA A 86 -19.391 6.891 1.205 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -19.640 8.350 -0.763 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -18.263 7.237 -0.942 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -19.785 6.915 -1.806 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 8.477 -11.942 4.241 1.00 1.12 P HETATM 1279 O26 SXO A 87 8.829 -10.685 5.078 1.00 1.48 O HETATM 1280 O23 SXO A 87 9.636 -12.776 3.642 1.00 1.45 O HETATM 1281 O27 SXO A 87 7.612 -12.916 5.141 1.00 1.11 O HETATM 1282 C28 SXO A 87 6.544 -12.366 5.990 1.00 1.02 C HETATM 1283 C29 SXO A 87 5.723 -13.484 6.646 1.00 1.15 C HETATM 1284 C30 SXO A 87 4.634 -12.802 7.459 1.00 1.14 C HETATM 1285 C31 SXO A 87 5.086 -14.358 5.564 1.00 1.22 C HETATM 1286 C32 SXO A 87 6.637 -14.361 7.567 1.00 1.49 C HETATM 1287 O33 SXO A 87 7.831 -14.726 6.863 1.00 1.65 O HETATM 1288 C34 SXO A 87 5.906 -15.636 8.013 1.00 1.70 C HETATM 1289 O35 SXO A 87 6.248 -16.736 7.574 1.00 1.95 O HETATM 1290 N36 SXO A 87 4.907 -15.488 8.871 1.00 1.69 N HETATM 1291 C37 SXO A 87 4.101 -16.596 9.388 1.00 1.95 C HETATM 1292 C38 SXO A 87 2.768 -16.715 8.656 1.00 1.97 C HETATM 1293 C39 SXO A 87 1.958 -15.434 8.710 1.00 1.75 C HETATM 1294 O40 SXO A 87 1.832 -14.791 9.754 1.00 2.21 O HETATM 1295 N41 SXO A 87 1.410 -15.078 7.557 1.00 1.79 N HETATM 1296 C42 SXO A 87 0.603 -13.875 7.385 1.00 1.94 C HETATM 1297 C43 SXO A 87 0.793 -13.278 6.008 1.00 1.99 C HETATM 1298 S1 SXO A 87 0.009 -11.743 5.899 1.00 1.96 S HETATM 1299 C1 SXO A 87 0.504 -11.340 4.279 1.00 1.93 C HETATM 1300 O1 SXO A 87 0.944 -12.157 3.461 1.00 2.52 O HETATM 1301 C2 SXO A 87 0.380 -9.870 3.935 1.00 2.08 C HETATM 1302 C3 SXO A 87 -1.041 -9.346 4.086 1.00 1.81 C HETATM 1303 C4 SXO A 87 -1.122 -7.858 3.786 1.00 1.94 C HETATM 1304 C5 SXO A 87 -0.721 -7.553 2.352 1.00 1.78 C HETATM 1305 C6 SXO A 87 -0.768 -6.059 2.065 1.00 1.64 C HETATM 1306 C7 SXO A 87 -0.410 -5.751 0.617 1.00 1.79 C HETATM 1307 C8 SXO A 87 -0.413 -4.255 0.383 1.00 1.84 C HETATM 0 HO33 SXO A 87 7.773 -14.414 5.936 1.00 1.65 H new HETATM 0 HN41 SXO A 87 1.561 -15.678 6.746 1.00 1.79 H new HETATM 0 HN36 SXO A 87 4.686 -14.545 9.191 1.00 1.69 H new HETATM 0 H43A SXO A 87 1.857 -13.165 5.798 1.00 1.99 H new HETATM 0 H42A SXO A 87 -0.449 -14.115 7.537 1.00 1.94 H new HETATM 0 H38A SXO A 87 2.952 -16.981 7.615 1.00 1.97 H new HETATM 0 H37A SXO A 87 4.656 -17.528 9.286 1.00 1.95 H new HETATM 0 H31B SXO A 87 4.432 -13.747 4.941 1.00 1.22 H new HETATM 0 H31A SXO A 87 5.868 -14.799 4.946 1.00 1.22 H new HETATM 0 H30B SXO A 87 5.090 -12.161 8.213 1.00 1.14 H new HETATM 0 H30A SXO A 87 4.011 -12.198 6.799 1.00 1.14 H new HETATM 0 H28A SXO A 87 6.980 -11.731 6.761 1.00 1.02 H new HETATM 0 H8B SXO A 87 -1.404 -3.855 0.597 1.00 1.84 H new HETATM 0 H8A SXO A 87 0.318 -3.783 1.039 1.00 1.84 H new HETATM 0 H8 SXO A 87 -0.156 -4.049 -0.656 1.00 1.84 H new HETATM 0 H7A SXO A 87 0.573 -6.161 0.383 1.00 1.79 H new HETATM 0 H7 SXO A 87 -1.124 -6.232 -0.052 1.00 1.79 H new HETATM 0 H6A SXO A 87 -1.766 -5.678 2.282 1.00 1.64 H new HETATM 0 H6 SXO A 87 -0.077 -5.539 2.729 1.00 1.64 H new HETATM 0 H5A SXO A 87 0.285 -7.929 2.167 1.00 1.78 H new HETATM 0 H5 SXO A 87 -1.388 -8.077 1.667 1.00 1.78 H new HETATM 0 H4A SXO A 87 -2.138 -7.506 3.963 1.00 1.94 H new HETATM 0 H43 SXO A 87 0.389 -13.953 5.254 1.00 1.99 H new HETATM 0 H42 SXO A 87 0.875 -13.140 8.143 1.00 1.94 H new HETATM 0 H4 SXO A 87 -0.472 -7.313 4.470 1.00 1.94 H new HETATM 0 H3A SXO A 87 -1.704 -9.890 3.413 1.00 1.81 H new HETATM 0 H38 SXO A 87 2.188 -17.527 9.095 1.00 1.97 H new HETATM 0 H37 SXO A 87 3.919 -16.448 10.453 1.00 1.95 H new HETATM 0 H32 SXO A 87 6.890 -13.774 8.450 1.00 1.49 H new HETATM 0 H31 SXO A 87 4.504 -15.151 6.033 1.00 1.22 H new HETATM 0 H30 SXO A 87 4.019 -13.557 7.948 1.00 1.14 H new HETATM 0 H3 SXO A 87 -1.393 -9.533 5.101 1.00 1.81 H new HETATM 0 H2A SXO A 87 1.045 -9.294 4.578 1.00 2.08 H new HETATM 0 H28 SXO A 87 5.889 -11.734 5.390 1.00 1.02 H new HETATM 0 H2 SXO A 87 0.713 -9.712 2.909 1.00 2.08 H new