USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 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 NoAdj-H: A 155 HIS HD1 : A 155 HIS ND1 : A 183 ZNZN :(H bumps) USER MOD NoAdj-H: A 158 HIS HD1 : A 158 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 76:sc= 0.934 USER MOD Single : A 169 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.1) USER MOD Single : A 170 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -102:sc= -0.396 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 21.295 2.945 -1.896 1.00 0.00 N ATOM 2 CA ALA A 127 20.431 2.369 -2.966 1.00 0.00 C ATOM 3 C ALA A 127 19.431 3.427 -3.437 1.00 0.00 C ATOM 4 O ALA A 127 19.351 4.508 -2.888 1.00 0.00 O ATOM 5 CB ALA A 127 19.673 1.161 -2.414 1.00 0.00 C ATOM 0 HA ALA A 127 21.052 2.056 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 127 19.041 0.740 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 127 20.385 0.407 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 127 19.052 1.474 -1.575 1.00 0.00 H new ATOM 13 N MET A 128 18.666 3.126 -4.451 1.00 0.00 N ATOM 14 CA MET A 128 17.673 4.115 -4.955 1.00 0.00 C ATOM 15 C MET A 128 16.452 4.129 -4.033 1.00 0.00 C ATOM 16 O MET A 128 15.529 3.356 -4.198 1.00 0.00 O ATOM 17 CB MET A 128 17.238 3.725 -6.370 1.00 0.00 C ATOM 18 CG MET A 128 16.807 2.256 -6.386 1.00 0.00 C ATOM 19 SD MET A 128 18.117 1.250 -7.125 1.00 0.00 S ATOM 20 CE MET A 128 17.333 -0.362 -6.876 1.00 0.00 C ATOM 0 H MET A 128 18.686 2.238 -4.952 1.00 0.00 H new ATOM 0 HA MET A 128 18.126 5.106 -4.973 1.00 0.00 H new ATOM 0 HB2 MET A 128 16.414 4.360 -6.697 1.00 0.00 H new ATOM 0 HB3 MET A 128 18.059 3.882 -7.070 1.00 0.00 H new ATOM 0 HG2 MET A 128 16.601 1.915 -5.371 1.00 0.00 H new ATOM 0 HG3 MET A 128 15.883 2.143 -6.954 1.00 0.00 H new ATOM 0 HE1 MET A 128 17.981 -1.146 -7.267 1.00 0.00 H new ATOM 0 HE2 MET A 128 17.167 -0.525 -5.811 1.00 0.00 H new ATOM 0 HE3 MET A 128 16.378 -0.387 -7.400 1.00 0.00 H new ATOM 30 N ASP A 129 16.441 4.999 -3.060 1.00 0.00 N ATOM 31 CA ASP A 129 15.279 5.061 -2.128 1.00 0.00 C ATOM 32 C ASP A 129 14.188 5.950 -2.728 1.00 0.00 C ATOM 33 O ASP A 129 13.621 6.790 -2.057 1.00 0.00 O ATOM 34 CB ASP A 129 15.735 5.646 -0.789 1.00 0.00 C ATOM 35 CG ASP A 129 16.208 4.517 0.127 1.00 0.00 C ATOM 36 OD1 ASP A 129 15.364 3.785 0.617 1.00 0.00 O ATOM 37 OD2 ASP A 129 17.406 4.402 0.323 1.00 0.00 O ATOM 0 H ASP A 129 17.186 5.669 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 129 14.883 4.058 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 129 16.542 6.361 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 129 14.915 6.190 -0.320 1.00 0.00 H new ATOM 42 N ASP A 130 13.888 5.773 -3.985 1.00 0.00 N ATOM 43 CA ASP A 130 12.832 6.608 -4.623 1.00 0.00 C ATOM 44 C ASP A 130 11.930 5.721 -5.482 1.00 0.00 C ATOM 45 O ASP A 130 12.033 5.700 -6.692 1.00 0.00 O ATOM 46 CB ASP A 130 13.487 7.675 -5.503 1.00 0.00 C ATOM 47 CG ASP A 130 13.015 9.061 -5.059 1.00 0.00 C ATOM 48 OD1 ASP A 130 13.563 9.570 -4.095 1.00 0.00 O ATOM 49 OD2 ASP A 130 12.116 9.590 -5.691 1.00 0.00 O ATOM 0 H ASP A 130 14.328 5.087 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 130 12.235 7.092 -3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 130 14.572 7.607 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 130 13.228 7.508 -6.549 1.00 0.00 H new ATOM 54 N GLY A 131 11.044 4.989 -4.864 1.00 0.00 N ATOM 55 CA GLY A 131 10.134 4.103 -5.644 1.00 0.00 C ATOM 56 C GLY A 131 8.826 3.914 -4.875 1.00 0.00 C ATOM 57 O GLY A 131 8.242 4.858 -4.381 1.00 0.00 O ATOM 0 H GLY A 131 10.911 4.966 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.934 4.540 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.609 3.138 -5.818 1.00 0.00 H new ATOM 61 N VAL A 132 8.362 2.699 -4.767 1.00 0.00 N ATOM 62 CA VAL A 132 7.093 2.450 -4.027 1.00 0.00 C ATOM 63 C VAL A 132 7.416 2.011 -2.598 1.00 0.00 C ATOM 64 O VAL A 132 7.743 0.868 -2.349 1.00 0.00 O ATOM 65 CB VAL A 132 6.300 1.349 -4.734 1.00 0.00 C ATOM 66 CG1 VAL A 132 4.911 1.235 -4.105 1.00 0.00 C ATOM 67 CG2 VAL A 132 6.159 1.695 -6.217 1.00 0.00 C ATOM 0 H VAL A 132 8.807 1.869 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 132 6.500 3.364 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 132 6.825 0.400 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.347 0.451 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.009 0.989 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.385 2.184 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.594 0.911 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.634 2.645 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.148 1.776 -6.667 1.00 0.00 H new ATOM 77 N GLU A 133 7.329 2.910 -1.655 1.00 0.00 N ATOM 78 CA GLU A 133 7.635 2.539 -0.245 1.00 0.00 C ATOM 79 C GLU A 133 6.361 2.110 0.479 1.00 0.00 C ATOM 80 O GLU A 133 5.329 2.744 0.388 1.00 0.00 O ATOM 81 CB GLU A 133 8.253 3.732 0.485 1.00 0.00 C ATOM 82 CG GLU A 133 9.775 3.669 0.368 1.00 0.00 C ATOM 83 CD GLU A 133 10.215 4.297 -0.956 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.712 3.879 -1.985 1.00 0.00 O ATOM 85 OE2 GLU A 133 11.049 5.188 -0.918 1.00 0.00 O ATOM 0 H GLU A 133 7.060 3.883 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 133 8.341 1.708 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.883 4.664 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.958 3.723 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.236 4.196 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.111 2.633 0.420 1.00 0.00 H new ATOM 92 N CYS A 134 6.441 1.035 1.211 1.00 0.00 N ATOM 93 CA CYS A 134 5.262 0.538 1.969 1.00 0.00 C ATOM 94 C CYS A 134 5.002 1.474 3.149 1.00 0.00 C ATOM 95 O CYS A 134 5.780 1.546 4.078 1.00 0.00 O ATOM 96 CB CYS A 134 5.589 -0.860 2.485 1.00 0.00 C ATOM 97 SG CYS A 134 4.109 -1.692 3.117 1.00 0.00 S ATOM 0 H CYS A 134 7.285 0.473 1.317 1.00 0.00 H new ATOM 0 HA CYS A 134 4.377 0.506 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.027 -1.453 1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.336 -0.792 3.276 1.00 0.00 H new ATOM 102 N ALA A 135 3.921 2.199 3.120 1.00 0.00 N ATOM 103 CA ALA A 135 3.625 3.131 4.242 1.00 0.00 C ATOM 104 C ALA A 135 3.360 2.331 5.518 1.00 0.00 C ATOM 105 O ALA A 135 3.240 2.884 6.593 1.00 0.00 O ATOM 106 CB ALA A 135 2.388 3.964 3.898 1.00 0.00 C ATOM 0 H ALA A 135 3.230 2.187 2.370 1.00 0.00 H new ATOM 0 HA ALA A 135 4.478 3.791 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.170 4.647 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.576 4.536 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.536 3.302 3.740 1.00 0.00 H new ATOM 112 N VAL A 136 3.256 1.034 5.411 1.00 0.00 N ATOM 113 CA VAL A 136 2.984 0.212 6.623 1.00 0.00 C ATOM 114 C VAL A 136 4.281 -0.401 7.166 1.00 0.00 C ATOM 115 O VAL A 136 4.716 -0.070 8.250 1.00 0.00 O ATOM 116 CB VAL A 136 2.010 -0.901 6.261 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.779 -1.790 7.485 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.680 -0.288 5.819 1.00 0.00 C ATOM 0 H VAL A 136 3.347 0.511 4.540 1.00 0.00 H new ATOM 0 HA VAL A 136 2.555 0.852 7.394 1.00 0.00 H new ATOM 0 HB VAL A 136 2.423 -1.499 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.082 -2.588 7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.727 -2.224 7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.364 -1.192 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.019 -1.083 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.266 0.308 6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.844 0.349 4.950 1.00 0.00 H new ATOM 128 N CYS A 137 4.904 -1.299 6.440 1.00 0.00 N ATOM 129 CA CYS A 137 6.158 -1.909 6.968 1.00 0.00 C ATOM 130 C CYS A 137 7.380 -1.142 6.446 1.00 0.00 C ATOM 131 O CYS A 137 8.475 -1.288 6.951 1.00 0.00 O ATOM 132 CB CYS A 137 6.264 -3.392 6.577 1.00 0.00 C ATOM 133 SG CYS A 137 6.788 -3.565 4.854 1.00 0.00 S ATOM 0 H CYS A 137 4.603 -1.629 5.523 1.00 0.00 H new ATOM 0 HA CYS A 137 6.130 -1.845 8.056 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.976 -3.895 7.231 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.300 -3.880 6.720 1.00 0.00 H new ATOM 138 N LEU A 138 7.202 -0.330 5.440 1.00 0.00 N ATOM 139 CA LEU A 138 8.356 0.440 4.889 1.00 0.00 C ATOM 140 C LEU A 138 9.426 -0.536 4.401 1.00 0.00 C ATOM 141 O LEU A 138 10.608 -0.319 4.579 1.00 0.00 O ATOM 142 CB LEU A 138 8.943 1.334 5.983 1.00 0.00 C ATOM 143 CG LEU A 138 7.812 1.880 6.857 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.403 2.671 8.024 1.00 0.00 C ATOM 145 CD2 LEU A 138 6.921 2.800 6.019 1.00 0.00 C ATOM 0 H LEU A 138 6.309 -0.166 4.975 1.00 0.00 H new ATOM 0 HA LEU A 138 8.018 1.059 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.647 0.767 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.500 2.157 5.535 1.00 0.00 H new ATOM 0 HG LEU A 138 7.220 1.051 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.596 3.059 8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.039 2.018 8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.995 3.501 7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.115 3.190 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 138 7.515 3.629 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.498 2.238 5.186 1.00 0.00 H new ATOM 157 N ALA A 139 9.020 -1.611 3.785 1.00 0.00 N ATOM 158 CA ALA A 139 10.010 -2.603 3.283 1.00 0.00 C ATOM 159 C ALA A 139 10.086 -2.516 1.758 1.00 0.00 C ATOM 160 O ALA A 139 9.088 -2.612 1.071 1.00 0.00 O ATOM 161 CB ALA A 139 9.576 -4.011 3.693 1.00 0.00 C ATOM 0 H ALA A 139 8.043 -1.845 3.607 1.00 0.00 H new ATOM 0 HA ALA A 139 10.990 -2.388 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.301 -4.737 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.520 -4.073 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.597 -4.229 3.267 1.00 0.00 H new ATOM 167 N GLU A 140 11.261 -2.334 1.222 1.00 0.00 N ATOM 168 CA GLU A 140 11.394 -2.240 -0.258 1.00 0.00 C ATOM 169 C GLU A 140 10.596 -3.370 -0.913 1.00 0.00 C ATOM 170 O GLU A 140 10.895 -4.535 -0.744 1.00 0.00 O ATOM 171 CB GLU A 140 12.869 -2.362 -0.647 1.00 0.00 C ATOM 172 CG GLU A 140 13.322 -1.073 -1.335 1.00 0.00 C ATOM 173 CD GLU A 140 14.819 -0.868 -1.102 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.408 -1.685 -0.413 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.352 0.099 -1.618 1.00 0.00 O ATOM 0 H GLU A 140 12.133 -2.246 1.744 1.00 0.00 H new ATOM 0 HA GLU A 140 11.009 -1.279 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.476 -2.547 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.011 -3.212 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.114 -1.126 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 140 12.763 -0.223 -0.943 1.00 0.00 H new ATOM 182 N LEU A 141 9.580 -3.032 -1.660 1.00 0.00 N ATOM 183 CA LEU A 141 8.761 -4.085 -2.324 1.00 0.00 C ATOM 184 C LEU A 141 9.655 -4.930 -3.234 1.00 0.00 C ATOM 185 O LEU A 141 10.083 -4.490 -4.283 1.00 0.00 O ATOM 186 CB LEU A 141 7.662 -3.422 -3.159 1.00 0.00 C ATOM 187 CG LEU A 141 6.603 -2.829 -2.228 1.00 0.00 C ATOM 188 CD1 LEU A 141 5.797 -1.767 -2.981 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.662 -3.937 -1.752 1.00 0.00 C ATOM 0 H LEU A 141 9.282 -2.073 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 141 8.308 -4.725 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.089 -2.640 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.206 -4.153 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 141 7.093 -2.373 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.042 -1.345 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.465 -0.976 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.308 -2.224 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.908 -3.514 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.173 -4.394 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.234 -4.694 -1.215 1.00 0.00 H new ATOM 201 N GLU A 142 9.940 -6.142 -2.842 1.00 0.00 N ATOM 202 CA GLU A 142 10.806 -7.014 -3.684 1.00 0.00 C ATOM 203 C GLU A 142 9.982 -8.184 -4.225 1.00 0.00 C ATOM 204 O GLU A 142 8.835 -8.366 -3.865 1.00 0.00 O ATOM 205 CB GLU A 142 11.963 -7.552 -2.839 1.00 0.00 C ATOM 206 CG GLU A 142 12.909 -6.405 -2.477 1.00 0.00 C ATOM 207 CD GLU A 142 13.789 -6.821 -1.297 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.103 -7.997 -1.204 1.00 0.00 O ATOM 209 OE2 GLU A 142 14.134 -5.958 -0.507 1.00 0.00 O ATOM 0 H GLU A 142 9.610 -6.566 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 142 11.203 -6.435 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.578 -8.020 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.503 -8.322 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.531 -6.148 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.336 -5.514 -2.220 1.00 0.00 H new ATOM 216 N ASP A 143 10.556 -8.978 -5.088 1.00 0.00 N ATOM 217 CA ASP A 143 9.805 -10.135 -5.652 1.00 0.00 C ATOM 218 C ASP A 143 9.603 -11.194 -4.568 1.00 0.00 C ATOM 219 O ASP A 143 10.429 -11.367 -3.694 1.00 0.00 O ATOM 220 CB ASP A 143 10.599 -10.739 -6.813 1.00 0.00 C ATOM 221 CG ASP A 143 10.994 -9.632 -7.793 1.00 0.00 C ATOM 222 OD1 ASP A 143 11.960 -8.941 -7.517 1.00 0.00 O ATOM 223 OD2 ASP A 143 10.323 -9.496 -8.803 1.00 0.00 O ATOM 0 H ASP A 143 11.513 -8.875 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 143 8.833 -9.796 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.490 -11.240 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.000 -11.494 -7.323 1.00 0.00 H new ATOM 228 N GLY A 144 8.510 -11.907 -4.618 1.00 0.00 N ATOM 229 CA GLY A 144 8.256 -12.956 -3.590 1.00 0.00 C ATOM 230 C GLY A 144 7.073 -12.542 -2.716 1.00 0.00 C ATOM 231 O GLY A 144 6.533 -13.334 -1.970 1.00 0.00 O ATOM 0 H GLY A 144 7.783 -11.808 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.047 -13.910 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.144 -13.098 -2.974 1.00 0.00 H new ATOM 235 N GLU A 145 6.664 -11.305 -2.798 1.00 0.00 N ATOM 236 CA GLU A 145 5.516 -10.843 -1.968 1.00 0.00 C ATOM 237 C GLU A 145 4.314 -10.554 -2.871 1.00 0.00 C ATOM 238 O GLU A 145 4.394 -10.655 -4.078 1.00 0.00 O ATOM 239 CB GLU A 145 5.908 -9.567 -1.219 1.00 0.00 C ATOM 240 CG GLU A 145 7.262 -9.771 -0.537 1.00 0.00 C ATOM 241 CD GLU A 145 7.640 -8.506 0.236 1.00 0.00 C ATOM 242 OE1 GLU A 145 7.192 -8.367 1.363 1.00 0.00 O ATOM 243 OE2 GLU A 145 8.371 -7.697 -0.312 1.00 0.00 O ATOM 0 H GLU A 145 7.075 -10.595 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 145 5.253 -11.620 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 145 5.961 -8.727 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.149 -9.320 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.215 -10.624 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 145 8.026 -9.997 -1.281 1.00 0.00 H new ATOM 250 N GLU A 146 3.202 -10.193 -2.292 1.00 0.00 N ATOM 251 CA GLU A 146 1.994 -9.897 -3.113 1.00 0.00 C ATOM 252 C GLU A 146 1.544 -8.459 -2.851 1.00 0.00 C ATOM 253 O GLU A 146 0.542 -8.220 -2.211 1.00 0.00 O ATOM 254 CB GLU A 146 0.868 -10.860 -2.730 1.00 0.00 C ATOM 255 CG GLU A 146 0.998 -12.149 -3.543 1.00 0.00 C ATOM 256 CD GLU A 146 0.011 -12.116 -4.711 1.00 0.00 C ATOM 257 OE1 GLU A 146 -0.303 -11.029 -5.166 1.00 0.00 O ATOM 258 OE2 GLU A 146 -0.415 -13.180 -5.130 1.00 0.00 O ATOM 0 H GLU A 146 3.078 -10.090 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 146 2.232 -10.019 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.914 -11.084 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -0.100 -10.396 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.017 -12.255 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 146 0.799 -13.013 -2.909 1.00 0.00 H new ATOM 265 N ALA A 147 2.278 -7.497 -3.339 1.00 0.00 N ATOM 266 CA ALA A 147 1.889 -6.079 -3.108 1.00 0.00 C ATOM 267 C ALA A 147 0.612 -5.765 -3.887 1.00 0.00 C ATOM 268 O ALA A 147 0.425 -6.210 -5.002 1.00 0.00 O ATOM 269 CB ALA A 147 3.016 -5.157 -3.576 1.00 0.00 C ATOM 0 H ALA A 147 3.128 -7.632 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 147 1.711 -5.921 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.731 -4.119 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.924 -5.380 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.197 -5.315 -4.639 1.00 0.00 H new ATOM 275 N ARG A 148 -0.273 -5.004 -3.304 1.00 0.00 N ATOM 276 CA ARG A 148 -1.543 -4.665 -4.001 1.00 0.00 C ATOM 277 C ARG A 148 -1.564 -3.169 -4.342 1.00 0.00 C ATOM 278 O ARG A 148 -1.453 -2.323 -3.478 1.00 0.00 O ATOM 279 CB ARG A 148 -2.720 -5.004 -3.083 1.00 0.00 C ATOM 280 CG ARG A 148 -2.588 -6.449 -2.595 1.00 0.00 C ATOM 281 CD ARG A 148 -3.963 -6.978 -2.182 1.00 0.00 C ATOM 282 NE ARG A 148 -4.081 -8.412 -2.573 1.00 0.00 N ATOM 283 CZ ARG A 148 -4.508 -9.291 -1.709 1.00 0.00 C ATOM 284 NH1 ARG A 148 -5.686 -9.152 -1.164 1.00 0.00 N ATOM 285 NH2 ARG A 148 -3.759 -10.310 -1.388 1.00 0.00 N ATOM 0 H ARG A 148 -0.170 -4.602 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.620 -5.239 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.740 -4.322 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.661 -4.874 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.169 -7.073 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.900 -6.497 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -4.097 -6.871 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.748 -6.393 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.828 -8.706 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.273 -8.356 -1.414 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -6.020 -9.839 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -2.838 -10.420 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -4.094 -10.997 -0.712 1.00 0.00 H new ATOM 299 N PHE A 149 -1.714 -2.842 -5.600 1.00 0.00 N ATOM 300 CA PHE A 149 -1.753 -1.406 -6.009 1.00 0.00 C ATOM 301 C PHE A 149 -3.217 -0.981 -6.182 1.00 0.00 C ATOM 302 O PHE A 149 -4.052 -1.771 -6.574 1.00 0.00 O ATOM 303 CB PHE A 149 -1.016 -1.233 -7.339 1.00 0.00 C ATOM 304 CG PHE A 149 0.217 -2.105 -7.352 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.111 -3.463 -7.673 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.468 -1.554 -7.046 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.255 -4.271 -7.688 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.612 -2.361 -7.061 1.00 0.00 C ATOM 309 CZ PHE A 149 2.505 -3.719 -7.381 1.00 0.00 C ATOM 0 H PHE A 149 -1.811 -3.511 -6.364 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.273 -0.791 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.672 -1.501 -8.167 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -0.737 -0.189 -7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.853 -3.888 -7.909 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.550 -0.506 -6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.173 -5.319 -7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.576 -1.936 -6.826 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.387 -4.342 -7.391 1.00 0.00 H new ATOM 319 N LEU A 150 -3.545 0.254 -5.894 1.00 0.00 N ATOM 320 CA LEU A 150 -4.966 0.689 -6.051 1.00 0.00 C ATOM 321 C LEU A 150 -5.141 1.433 -7.380 1.00 0.00 C ATOM 322 O LEU A 150 -4.183 1.912 -7.952 1.00 0.00 O ATOM 323 CB LEU A 150 -5.357 1.597 -4.883 1.00 0.00 C ATOM 324 CG LEU A 150 -4.984 0.920 -3.557 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.735 1.596 -2.411 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.369 -0.562 -3.603 1.00 0.00 C ATOM 0 H LEU A 150 -2.900 0.971 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.613 -0.188 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.847 2.557 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.427 1.801 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.909 1.011 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.470 1.115 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.463 2.651 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.809 1.505 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.102 -1.037 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.443 -0.654 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.837 -1.051 -4.419 1.00 0.00 H new ATOM 338 N PRO A 151 -6.367 1.484 -7.843 1.00 0.00 N ATOM 339 CA PRO A 151 -6.714 2.135 -9.122 1.00 0.00 C ATOM 340 C PRO A 151 -6.786 3.664 -8.989 1.00 0.00 C ATOM 341 O PRO A 151 -6.313 4.385 -9.845 1.00 0.00 O ATOM 342 CB PRO A 151 -8.096 1.563 -9.448 1.00 0.00 C ATOM 343 CG PRO A 151 -8.699 1.080 -8.108 1.00 0.00 C ATOM 344 CD PRO A 151 -7.520 0.892 -7.134 1.00 0.00 C ATOM 0 HA PRO A 151 -5.968 1.947 -9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -8.731 2.320 -9.908 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.017 0.739 -10.157 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.410 1.809 -7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.242 0.145 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.704 1.394 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.352 -0.162 -6.910 1.00 0.00 H new ATOM 352 N ARG A 152 -7.384 4.168 -7.944 1.00 0.00 N ATOM 353 CA ARG A 152 -7.489 5.650 -7.802 1.00 0.00 C ATOM 354 C ARG A 152 -6.116 6.292 -7.954 1.00 0.00 C ATOM 355 O ARG A 152 -5.957 7.311 -8.598 1.00 0.00 O ATOM 356 CB ARG A 152 -7.975 6.019 -6.402 1.00 0.00 C ATOM 357 CG ARG A 152 -9.273 5.304 -6.043 1.00 0.00 C ATOM 358 CD ARG A 152 -10.088 6.197 -5.099 1.00 0.00 C ATOM 359 NE ARG A 152 -11.489 6.312 -5.595 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.790 7.204 -6.498 1.00 0.00 C ATOM 361 NH1 ARG A 152 -10.861 7.670 -7.290 1.00 0.00 N ATOM 362 NH2 ARG A 152 -13.018 7.631 -6.611 1.00 0.00 N ATOM 0 H ARG A 152 -7.801 3.625 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.182 6.000 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.207 5.764 -5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.126 7.097 -6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.846 5.087 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -9.057 4.348 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.082 5.778 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.633 7.185 -5.036 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.212 5.693 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -9.901 7.336 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.096 8.367 -7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.743 7.267 -5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.252 8.329 -7.317 1.00 0.00 H new ATOM 376 N CYS A 153 -5.139 5.734 -7.309 1.00 0.00 N ATOM 377 CA CYS A 153 -3.780 6.340 -7.343 1.00 0.00 C ATOM 378 C CYS A 153 -2.740 5.372 -7.911 1.00 0.00 C ATOM 379 O CYS A 153 -1.966 5.723 -8.780 1.00 0.00 O ATOM 380 CB CYS A 153 -3.390 6.699 -5.909 1.00 0.00 C ATOM 381 SG CYS A 153 -3.876 5.345 -4.802 1.00 0.00 S ATOM 0 H CYS A 153 -5.219 4.881 -6.756 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.804 7.219 -7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.316 6.870 -5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.879 7.625 -5.607 1.00 0.00 H new ATOM 386 N GLY A 154 -2.686 4.171 -7.410 1.00 0.00 N ATOM 387 CA GLY A 154 -1.667 3.212 -7.903 1.00 0.00 C ATOM 388 C GLY A 154 -0.633 2.975 -6.797 1.00 0.00 C ATOM 389 O GLY A 154 0.299 2.212 -6.963 1.00 0.00 O ATOM 0 H GLY A 154 -3.304 3.814 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.140 2.271 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.181 3.605 -8.796 1.00 0.00 H new ATOM 393 N HIS A 155 -0.792 3.612 -5.659 1.00 0.00 N ATOM 394 CA HIS A 155 0.187 3.396 -4.553 1.00 0.00 C ATOM 395 C HIS A 155 0.281 1.889 -4.315 1.00 0.00 C ATOM 396 O HIS A 155 -0.702 1.241 -4.017 1.00 0.00 O ATOM 397 CB HIS A 155 -0.288 4.080 -3.260 1.00 0.00 C ATOM 398 CG HIS A 155 -0.119 5.578 -3.345 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.111 6.448 -2.902 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.904 6.365 -3.807 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.654 7.700 -3.111 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.566 7.704 -3.658 1.00 0.00 N ATOM 0 H HIS A 155 -1.549 4.264 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 155 1.153 3.820 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.336 3.839 -3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.278 3.694 -2.412 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.831 6.000 -4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.208 8.594 -2.865 1.00 0.00 H new ATOM 0 HE2 HIS A 155 1.128 8.516 -3.912 1.00 0.00 H new ATOM 409 N GLY A 156 1.440 1.318 -4.465 1.00 0.00 N ATOM 410 CA GLY A 156 1.559 -0.153 -4.268 1.00 0.00 C ATOM 411 C GLY A 156 1.978 -0.473 -2.833 1.00 0.00 C ATOM 412 O GLY A 156 2.964 0.029 -2.330 1.00 0.00 O ATOM 0 H GLY A 156 2.304 1.800 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.606 -0.633 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.291 -0.560 -4.965 1.00 0.00 H new ATOM 416 N PHE A 157 1.234 -1.321 -2.182 1.00 0.00 N ATOM 417 CA PHE A 157 1.561 -1.715 -0.783 1.00 0.00 C ATOM 418 C PHE A 157 1.699 -3.232 -0.747 1.00 0.00 C ATOM 419 O PHE A 157 1.724 -3.878 -1.771 1.00 0.00 O ATOM 420 CB PHE A 157 0.428 -1.259 0.148 1.00 0.00 C ATOM 421 CG PHE A 157 0.272 0.233 0.022 1.00 0.00 C ATOM 422 CD1 PHE A 157 1.014 1.087 0.846 1.00 0.00 C ATOM 423 CD2 PHE A 157 -0.608 0.760 -0.925 1.00 0.00 C ATOM 424 CE1 PHE A 157 0.874 2.474 0.719 1.00 0.00 C ATOM 425 CE2 PHE A 157 -0.750 2.144 -1.051 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.008 3.002 -0.229 1.00 0.00 C ATOM 0 H PHE A 157 0.400 -1.765 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 157 2.489 -1.250 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.503 -1.760 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.654 -1.530 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 157 1.693 0.677 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -1.179 0.098 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 157 1.446 3.135 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -1.432 2.553 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.117 4.072 -0.328 1.00 0.00 H new ATOM 436 N HIS A 158 1.803 -3.809 0.411 1.00 0.00 N ATOM 437 CA HIS A 158 1.951 -5.288 0.486 1.00 0.00 C ATOM 438 C HIS A 158 0.584 -5.942 0.619 1.00 0.00 C ATOM 439 O HIS A 158 -0.364 -5.327 1.041 1.00 0.00 O ATOM 440 CB HIS A 158 2.786 -5.635 1.710 1.00 0.00 C ATOM 441 CG HIS A 158 4.236 -5.674 1.313 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.171 -4.864 1.919 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.913 -6.375 0.347 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.351 -5.079 1.316 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.252 -5.997 0.350 1.00 0.00 N ATOM 0 H HIS A 158 1.792 -3.325 1.309 1.00 0.00 H new ATOM 0 HA HIS A 158 2.435 -5.650 -0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.630 -4.896 2.495 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.480 -6.600 2.115 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.474 -7.108 -0.314 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.268 -4.572 1.579 1.00 0.00 H new ATOM 0 HE2 HIS A 158 6.997 -6.345 -0.254 1.00 0.00 H new ATOM 452 N ALA A 159 0.474 -7.196 0.291 1.00 0.00 N ATOM 453 CA ALA A 159 -0.837 -7.868 0.452 1.00 0.00 C ATOM 454 C ALA A 159 -1.032 -8.109 1.947 1.00 0.00 C ATOM 455 O ALA A 159 -2.136 -8.154 2.452 1.00 0.00 O ATOM 456 CB ALA A 159 -0.835 -9.206 -0.291 1.00 0.00 C ATOM 0 H ALA A 159 1.227 -7.778 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.640 -7.255 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.802 -9.693 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.649 -9.033 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.052 -9.847 0.115 1.00 0.00 H new ATOM 462 N GLU A 160 0.059 -8.253 2.655 1.00 0.00 N ATOM 463 CA GLU A 160 -0.010 -8.482 4.124 1.00 0.00 C ATOM 464 C GLU A 160 -0.140 -7.142 4.857 1.00 0.00 C ATOM 465 O GLU A 160 -1.018 -6.963 5.674 1.00 0.00 O ATOM 466 CB GLU A 160 1.262 -9.196 4.589 1.00 0.00 C ATOM 467 CG GLU A 160 1.484 -10.448 3.739 1.00 0.00 C ATOM 468 CD GLU A 160 2.977 -10.773 3.684 1.00 0.00 C ATOM 469 OE1 GLU A 160 3.663 -10.183 2.865 1.00 0.00 O ATOM 470 OE2 GLU A 160 3.411 -11.605 4.464 1.00 0.00 O ATOM 0 H GLU A 160 1.003 -8.221 2.271 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.880 -9.099 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.119 -8.528 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.175 -9.468 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.934 -11.289 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.099 -10.289 2.732 1.00 0.00 H new ATOM 477 N CYS A 161 0.727 -6.195 4.583 1.00 0.00 N ATOM 478 CA CYS A 161 0.626 -4.883 5.285 1.00 0.00 C ATOM 479 C CYS A 161 -0.665 -4.189 4.867 1.00 0.00 C ATOM 480 O CYS A 161 -1.340 -3.582 5.669 1.00 0.00 O ATOM 481 CB CYS A 161 1.811 -3.985 4.926 1.00 0.00 C ATOM 482 SG CYS A 161 3.340 -4.925 4.980 1.00 0.00 S ATOM 0 H CYS A 161 1.490 -6.275 3.911 1.00 0.00 H new ATOM 0 HA CYS A 161 0.631 -5.062 6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.669 -3.564 3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.866 -3.147 5.621 1.00 0.00 H new ATOM 487 N VAL A 162 -1.006 -4.265 3.615 1.00 0.00 N ATOM 488 CA VAL A 162 -2.258 -3.599 3.150 1.00 0.00 C ATOM 489 C VAL A 162 -3.470 -4.239 3.840 1.00 0.00 C ATOM 490 O VAL A 162 -4.494 -3.609 4.023 1.00 0.00 O ATOM 491 CB VAL A 162 -2.392 -3.738 1.626 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.900 -5.138 1.270 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.386 -2.695 1.108 1.00 0.00 C ATOM 0 H VAL A 162 -0.478 -4.756 2.893 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.216 -2.540 3.406 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.416 -3.582 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.992 -5.227 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.196 -5.885 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.874 -5.300 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.483 -2.791 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.358 -2.855 1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.026 -1.696 1.353 1.00 0.00 H new ATOM 503 N ASP A 163 -3.363 -5.481 4.229 1.00 0.00 N ATOM 504 CA ASP A 163 -4.509 -6.154 4.911 1.00 0.00 C ATOM 505 C ASP A 163 -4.557 -5.713 6.374 1.00 0.00 C ATOM 506 O ASP A 163 -5.590 -5.328 6.884 1.00 0.00 O ATOM 507 CB ASP A 163 -4.325 -7.673 4.838 1.00 0.00 C ATOM 508 CG ASP A 163 -4.960 -8.202 3.550 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.309 -7.390 2.708 1.00 0.00 O ATOM 510 OD2 ASP A 163 -5.084 -9.409 3.428 1.00 0.00 O ATOM 0 H ASP A 163 -2.532 -6.060 4.105 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.441 -5.879 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.264 -7.923 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.785 -8.148 5.705 1.00 0.00 H new ATOM 515 N MET A 164 -3.444 -5.759 7.053 1.00 0.00 N ATOM 516 CA MET A 164 -3.422 -5.331 8.476 1.00 0.00 C ATOM 517 C MET A 164 -3.723 -3.835 8.541 1.00 0.00 C ATOM 518 O MET A 164 -4.174 -3.319 9.543 1.00 0.00 O ATOM 519 CB MET A 164 -2.040 -5.602 9.074 1.00 0.00 C ATOM 520 CG MET A 164 -2.006 -7.016 9.660 1.00 0.00 C ATOM 521 SD MET A 164 -0.666 -7.132 10.872 1.00 0.00 S ATOM 522 CE MET A 164 -0.513 -8.934 10.867 1.00 0.00 C ATOM 0 H MET A 164 -2.548 -6.075 6.681 1.00 0.00 H new ATOM 0 HA MET A 164 -4.169 -5.887 9.042 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.273 -5.496 8.307 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.818 -4.870 9.850 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.960 -7.249 10.133 1.00 0.00 H new ATOM 0 HG3 MET A 164 -1.857 -7.747 8.866 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.273 -9.234 11.560 1.00 0.00 H new ATOM 0 HE2 MET A 164 -1.458 -9.380 11.176 1.00 0.00 H new ATOM 0 HE3 MET A 164 -0.262 -9.275 9.863 1.00 0.00 H new ATOM 532 N TRP A 165 -3.477 -3.136 7.466 1.00 0.00 N ATOM 533 CA TRP A 165 -3.750 -1.674 7.445 1.00 0.00 C ATOM 534 C TRP A 165 -5.240 -1.449 7.262 1.00 0.00 C ATOM 535 O TRP A 165 -5.762 -0.395 7.567 1.00 0.00 O ATOM 536 CB TRP A 165 -3.018 -1.028 6.272 1.00 0.00 C ATOM 537 CG TRP A 165 -3.450 0.399 6.154 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.427 0.858 5.332 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.946 1.557 6.879 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.534 2.232 5.496 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.647 2.704 6.440 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.953 1.722 7.860 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.373 3.968 6.955 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.676 2.994 8.385 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.383 4.117 7.931 1.00 0.00 C ATOM 0 H TRP A 165 -3.097 -3.518 6.600 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.409 -1.234 8.382 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.940 -1.084 6.424 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.238 -1.565 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.022 0.255 4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.189 2.821 4.981 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.399 0.864 8.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.922 4.829 6.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.915 3.109 9.142 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -2.163 5.094 8.334 1.00 0.00 H new ATOM 556 N LEU A 166 -5.934 -2.427 6.760 1.00 0.00 N ATOM 557 CA LEU A 166 -7.381 -2.255 6.557 1.00 0.00 C ATOM 558 C LEU A 166 -8.047 -2.239 7.921 1.00 0.00 C ATOM 559 O LEU A 166 -8.431 -1.202 8.409 1.00 0.00 O ATOM 560 CB LEU A 166 -7.910 -3.431 5.731 1.00 0.00 C ATOM 561 CG LEU A 166 -7.503 -3.249 4.269 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.643 -4.581 3.530 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.415 -2.209 3.622 1.00 0.00 C ATOM 0 H LEU A 166 -5.557 -3.334 6.484 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.593 -1.326 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.511 -4.369 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -8.995 -3.488 5.813 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.467 -2.914 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.353 -4.451 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -6.998 -5.325 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.679 -4.917 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.130 -2.074 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.449 -2.549 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.317 -1.261 4.150 1.00 0.00 H new ATOM 575 N GLY A 167 -8.129 -3.388 8.542 1.00 0.00 N ATOM 576 CA GLY A 167 -8.745 -3.508 9.909 1.00 0.00 C ATOM 577 C GLY A 167 -9.748 -2.374 10.165 1.00 0.00 C ATOM 578 O GLY A 167 -9.853 -1.885 11.271 1.00 0.00 O ATOM 0 H GLY A 167 -7.789 -4.269 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.248 -4.470 10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.962 -3.484 10.667 1.00 0.00 H new ATOM 582 N SER A 168 -10.468 -1.959 9.143 1.00 0.00 N ATOM 583 CA SER A 168 -11.465 -0.845 9.275 1.00 0.00 C ATOM 584 C SER A 168 -11.400 0.023 8.014 1.00 0.00 C ATOM 585 O SER A 168 -12.359 0.138 7.276 1.00 0.00 O ATOM 586 CB SER A 168 -11.150 0.037 10.485 1.00 0.00 C ATOM 587 OG SER A 168 -11.739 -0.533 11.647 1.00 0.00 O ATOM 0 H SER A 168 -10.403 -2.355 8.205 1.00 0.00 H new ATOM 0 HA SER A 168 -12.456 -1.280 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 168 -10.071 0.124 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.534 1.044 10.325 1.00 0.00 H new ATOM 0 HG SER A 168 -11.205 -1.300 11.942 1.00 0.00 H new ATOM 593 N HIS A 169 -10.271 0.641 7.762 1.00 0.00 N ATOM 594 CA HIS A 169 -10.145 1.505 6.553 1.00 0.00 C ATOM 595 C HIS A 169 -10.075 0.629 5.301 1.00 0.00 C ATOM 596 O HIS A 169 -9.103 -0.059 5.066 1.00 0.00 O ATOM 597 CB HIS A 169 -8.862 2.345 6.647 1.00 0.00 C ATOM 598 CG HIS A 169 -9.019 3.386 7.723 1.00 0.00 C ATOM 599 ND1 HIS A 169 -10.025 4.339 7.688 1.00 0.00 N ATOM 600 CD2 HIS A 169 -8.305 3.639 8.868 1.00 0.00 C ATOM 601 CE1 HIS A 169 -9.890 5.113 8.780 1.00 0.00 C ATOM 602 NE2 HIS A 169 -8.857 4.729 9.533 1.00 0.00 N ATOM 0 H HIS A 169 -9.434 0.583 8.342 1.00 0.00 H new ATOM 0 HA HIS A 169 -11.012 2.164 6.495 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -8.010 1.703 6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.658 2.825 5.690 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -7.445 3.077 9.202 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -10.538 5.943 9.018 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -8.540 5.146 10.409 1.00 0.00 H new ATOM 610 N SER A 170 -11.092 0.671 4.485 1.00 0.00 N ATOM 611 CA SER A 170 -11.081 -0.135 3.233 1.00 0.00 C ATOM 612 C SER A 170 -10.580 0.759 2.106 1.00 0.00 C ATOM 613 O SER A 170 -11.187 0.869 1.060 1.00 0.00 O ATOM 614 CB SER A 170 -12.498 -0.618 2.918 1.00 0.00 C ATOM 615 OG SER A 170 -13.438 0.258 3.526 1.00 0.00 O ATOM 0 H SER A 170 -11.932 1.230 4.632 1.00 0.00 H new ATOM 0 HA SER A 170 -10.434 -1.005 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.654 -0.646 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.639 -1.634 3.287 1.00 0.00 H new ATOM 0 HG SER A 170 -14.347 -0.047 3.325 1.00 0.00 H new ATOM 621 N THR A 171 -9.482 1.428 2.333 1.00 0.00 N ATOM 622 CA THR A 171 -8.942 2.352 1.305 1.00 0.00 C ATOM 623 C THR A 171 -7.412 2.300 1.291 1.00 0.00 C ATOM 624 O THR A 171 -6.788 1.535 1.999 1.00 0.00 O ATOM 625 CB THR A 171 -9.394 3.781 1.622 1.00 0.00 C ATOM 626 OG1 THR A 171 -9.100 4.076 2.980 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.899 3.911 1.386 1.00 0.00 C ATOM 0 H THR A 171 -8.936 1.371 3.192 1.00 0.00 H new ATOM 0 HA THR A 171 -9.316 2.049 0.327 1.00 0.00 H new ATOM 0 HB THR A 171 -8.867 4.480 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.386 4.990 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.216 4.929 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.125 3.684 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.430 3.213 2.033 1.00 0.00 H new ATOM 635 N CYS A 172 -6.822 3.122 0.475 1.00 0.00 N ATOM 636 CA CYS A 172 -5.338 3.180 0.355 1.00 0.00 C ATOM 637 C CYS A 172 -4.759 3.782 1.646 1.00 0.00 C ATOM 638 O CYS A 172 -5.285 4.751 2.155 1.00 0.00 O ATOM 639 CB CYS A 172 -5.055 4.106 -0.826 1.00 0.00 C ATOM 640 SG CYS A 172 -3.322 4.087 -1.316 1.00 0.00 S ATOM 0 H CYS A 172 -7.318 3.775 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.893 2.197 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.672 3.808 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.344 5.124 -0.563 1.00 0.00 H new ATOM 645 N PRO A 173 -3.711 3.177 2.157 1.00 0.00 N ATOM 646 CA PRO A 173 -3.074 3.628 3.411 1.00 0.00 C ATOM 647 C PRO A 173 -2.242 4.889 3.253 1.00 0.00 C ATOM 648 O PRO A 173 -1.996 5.586 4.217 1.00 0.00 O ATOM 649 CB PRO A 173 -2.157 2.471 3.793 1.00 0.00 C ATOM 650 CG PRO A 173 -1.897 1.671 2.501 1.00 0.00 C ATOM 651 CD PRO A 173 -3.056 1.996 1.543 1.00 0.00 C ATOM 0 HA PRO A 173 -3.833 3.875 4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.222 2.840 4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.622 1.842 4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.940 1.948 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.854 0.602 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.694 2.218 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.747 1.158 1.454 1.00 0.00 H new ATOM 659 N LEU A 174 -1.757 5.187 2.091 1.00 0.00 N ATOM 660 CA LEU A 174 -0.906 6.393 2.005 1.00 0.00 C ATOM 661 C LEU A 174 -1.723 7.626 1.623 1.00 0.00 C ATOM 662 O LEU A 174 -1.516 8.696 2.158 1.00 0.00 O ATOM 663 CB LEU A 174 0.199 6.168 0.973 1.00 0.00 C ATOM 664 CG LEU A 174 1.011 7.453 0.808 1.00 0.00 C ATOM 665 CD1 LEU A 174 1.822 7.709 2.078 1.00 0.00 C ATOM 666 CD2 LEU A 174 1.961 7.305 -0.383 1.00 0.00 C ATOM 0 H LEU A 174 -1.904 4.670 1.224 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.467 6.569 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.849 5.353 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.235 5.874 0.017 1.00 0.00 H new ATOM 0 HG LEU A 174 0.336 8.291 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.401 8.625 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.146 7.813 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.498 6.872 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.541 8.220 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.637 6.468 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.383 7.121 -1.289 1.00 0.00 H new ATOM 678 N CYS A 175 -2.649 7.504 0.718 1.00 0.00 N ATOM 679 CA CYS A 175 -3.452 8.697 0.348 1.00 0.00 C ATOM 680 C CYS A 175 -4.870 8.549 0.922 1.00 0.00 C ATOM 681 O CYS A 175 -5.399 9.478 1.493 1.00 0.00 O ATOM 682 CB CYS A 175 -3.456 8.862 -1.173 1.00 0.00 C ATOM 683 SG CYS A 175 -4.480 7.591 -1.927 1.00 0.00 S ATOM 0 H CYS A 175 -2.883 6.642 0.224 1.00 0.00 H new ATOM 0 HA CYS A 175 -3.013 9.600 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.833 9.850 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.438 8.796 -1.557 1.00 0.00 H new ATOM 688 N ARG A 176 -5.462 7.376 0.781 1.00 0.00 N ATOM 689 CA ARG A 176 -6.835 7.091 1.319 1.00 0.00 C ATOM 690 C ARG A 176 -7.842 7.140 0.184 1.00 0.00 C ATOM 691 O ARG A 176 -8.980 7.534 0.349 1.00 0.00 O ATOM 692 CB ARG A 176 -7.236 8.067 2.429 1.00 0.00 C ATOM 693 CG ARG A 176 -6.217 7.972 3.570 1.00 0.00 C ATOM 694 CD ARG A 176 -6.628 8.914 4.703 1.00 0.00 C ATOM 695 NE ARG A 176 -5.629 10.013 4.822 1.00 0.00 N ATOM 696 CZ ARG A 176 -5.694 10.847 5.824 1.00 0.00 C ATOM 697 NH1 ARG A 176 -5.603 10.405 7.049 1.00 0.00 N ATOM 698 NH2 ARG A 176 -5.851 12.123 5.601 1.00 0.00 N ATOM 0 H ARG A 176 -5.034 6.585 0.301 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.822 6.095 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.272 9.085 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.235 7.830 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -6.161 6.947 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.223 8.235 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -7.617 9.327 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -6.693 8.364 5.642 1.00 0.00 H new ATOM 0 HE ARG A 176 -4.895 10.114 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -5.481 9.407 7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -5.654 11.057 7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -5.923 12.468 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -5.902 12.775 6.384 1.00 0.00 H new ATOM 712 N LEU A 177 -7.427 6.699 -0.966 1.00 0.00 N ATOM 713 CA LEU A 177 -8.329 6.662 -2.130 1.00 0.00 C ATOM 714 C LEU A 177 -9.006 5.287 -2.157 1.00 0.00 C ATOM 715 O LEU A 177 -8.439 4.320 -2.625 1.00 0.00 O ATOM 716 CB LEU A 177 -7.501 6.850 -3.399 1.00 0.00 C ATOM 717 CG LEU A 177 -6.995 8.291 -3.486 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.819 8.359 -4.461 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.118 9.192 -3.996 1.00 0.00 C ATOM 0 H LEU A 177 -6.483 6.358 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 177 -9.079 7.450 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.658 6.159 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.105 6.615 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.674 8.623 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.457 9.385 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.016 7.712 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.144 8.028 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.760 10.220 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.433 8.857 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.963 9.144 -3.310 1.00 0.00 H new ATOM 731 N THR A 178 -10.204 5.189 -1.647 1.00 0.00 N ATOM 732 CA THR A 178 -10.903 3.869 -1.632 1.00 0.00 C ATOM 733 C THR A 178 -10.691 3.143 -2.959 1.00 0.00 C ATOM 734 O THR A 178 -10.448 3.746 -3.983 1.00 0.00 O ATOM 735 CB THR A 178 -12.401 4.075 -1.403 1.00 0.00 C ATOM 736 OG1 THR A 178 -13.122 3.039 -2.057 1.00 0.00 O ATOM 737 CG2 THR A 178 -12.832 5.433 -1.960 1.00 0.00 C ATOM 0 H THR A 178 -10.729 5.963 -1.241 1.00 0.00 H new ATOM 0 HA THR A 178 -10.489 3.267 -0.823 1.00 0.00 H new ATOM 0 HB THR A 178 -12.610 4.048 -0.334 1.00 0.00 H new ATOM 0 HG1 THR A 178 -13.499 3.381 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 178 -13.900 5.572 -1.793 1.00 0.00 H new ATOM 0 HG22 THR A 178 -12.279 6.225 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 178 -12.624 5.470 -3.029 1.00 0.00 H new ATOM 745 N VAL A 179 -10.782 1.846 -2.943 1.00 0.00 N ATOM 746 CA VAL A 179 -10.587 1.072 -4.200 1.00 0.00 C ATOM 747 C VAL A 179 -11.949 0.670 -4.770 1.00 0.00 C ATOM 748 O VAL A 179 -12.107 0.495 -5.962 1.00 0.00 O ATOM 749 CB VAL A 179 -9.764 -0.183 -3.903 1.00 0.00 C ATOM 750 CG1 VAL A 179 -9.106 -0.679 -5.191 1.00 0.00 C ATOM 751 CG2 VAL A 179 -8.682 0.149 -2.874 1.00 0.00 C ATOM 0 H VAL A 179 -10.983 1.286 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 179 -10.059 1.688 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 179 -10.418 -0.960 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -8.520 -1.573 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -9.876 -0.916 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -8.452 0.098 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -8.095 -0.745 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -8.029 0.926 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -9.150 0.502 -1.955 1.00 0.00 H new ATOM 761 N VAL A 180 -12.935 0.521 -3.928 1.00 0.00 N ATOM 762 CA VAL A 180 -14.282 0.132 -4.418 1.00 0.00 C ATOM 763 C VAL A 180 -14.994 1.362 -4.985 1.00 0.00 C ATOM 764 O VAL A 180 -14.764 2.475 -4.558 1.00 0.00 O ATOM 765 CB VAL A 180 -15.088 -0.434 -3.250 1.00 0.00 C ATOM 766 CG1 VAL A 180 -14.259 -1.500 -2.530 1.00 0.00 C ATOM 767 CG2 VAL A 180 -15.427 0.694 -2.272 1.00 0.00 C ATOM 0 H VAL A 180 -12.863 0.653 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 180 -14.189 -0.620 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 180 -16.009 -0.880 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -14.832 -1.905 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -14.015 -2.302 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -13.339 -1.053 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -16.002 0.292 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -14.506 1.139 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -16.015 1.455 -2.784 1.00 0.00 H new ATOM 777 N VAL A 181 -15.859 1.171 -5.944 1.00 0.00 N ATOM 778 CA VAL A 181 -16.583 2.332 -6.536 1.00 0.00 C ATOM 779 C VAL A 181 -18.022 2.353 -6.018 1.00 0.00 C ATOM 780 O VAL A 181 -18.253 1.821 -4.945 1.00 0.00 O ATOM 781 CB VAL A 181 -16.591 2.208 -8.061 1.00 0.00 C ATOM 782 CG1 VAL A 181 -15.220 2.598 -8.614 1.00 0.00 C ATOM 783 CG2 VAL A 181 -16.904 0.761 -8.452 1.00 0.00 C ATOM 784 OXT VAL A 181 -18.868 2.902 -6.705 1.00 0.00 O ATOM 0 H VAL A 181 -16.095 0.262 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 181 -16.080 3.256 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 181 -17.351 2.871 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -15.227 2.509 -9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -14.995 3.627 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -14.459 1.936 -8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -16.910 0.671 -9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -16.144 0.099 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -17.882 0.481 -8.059 1.00 0.00 H new TER 794 VAL A 181 HETATM 795 ZN ZN A 182 4.853 -3.789 3.673 1.00 0.00 ZN HETATM 796 ZN ZN A 183 -3.128 5.897 -2.723 1.00 0.00 ZN