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 180:sc= 0 USER MOD Single : A 169 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 21.480 7.048 1.662 1.00 0.00 N ATOM 2 CA ALA A 127 20.353 7.953 2.023 1.00 0.00 C ATOM 3 C ALA A 127 19.548 8.291 0.767 1.00 0.00 C ATOM 4 O ALA A 127 20.088 8.414 -0.314 1.00 0.00 O ATOM 5 CB ALA A 127 20.910 9.242 2.633 1.00 0.00 C ATOM 0 HA ALA A 127 19.706 7.457 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 127 20.086 9.905 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 127 21.485 9.002 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 127 21.556 9.738 1.909 1.00 0.00 H new ATOM 13 N MET A 128 18.258 8.442 0.900 1.00 0.00 N ATOM 14 CA MET A 128 17.420 8.771 -0.288 1.00 0.00 C ATOM 15 C MET A 128 17.320 7.545 -1.198 1.00 0.00 C ATOM 16 O MET A 128 18.046 7.416 -2.163 1.00 0.00 O ATOM 17 CB MET A 128 18.061 9.929 -1.059 1.00 0.00 C ATOM 18 CG MET A 128 17.037 11.051 -1.239 1.00 0.00 C ATOM 19 SD MET A 128 15.870 10.600 -2.547 1.00 0.00 S ATOM 20 CE MET A 128 15.734 12.237 -3.305 1.00 0.00 C ATOM 0 H MET A 128 17.749 8.352 1.779 1.00 0.00 H new ATOM 0 HA MET A 128 16.422 9.061 0.040 1.00 0.00 H new ATOM 0 HB2 MET A 128 18.932 10.301 -0.520 1.00 0.00 H new ATOM 0 HB3 MET A 128 18.411 9.583 -2.031 1.00 0.00 H new ATOM 0 HG2 MET A 128 16.503 11.224 -0.305 1.00 0.00 H new ATOM 0 HG3 MET A 128 17.543 11.982 -1.494 1.00 0.00 H new ATOM 0 HE1 MET A 128 15.049 12.190 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 128 15.356 12.948 -2.570 1.00 0.00 H new ATOM 0 HE3 MET A 128 16.716 12.561 -3.651 1.00 0.00 H new ATOM 30 N ASP A 129 16.426 6.643 -0.897 1.00 0.00 N ATOM 31 CA ASP A 129 16.280 5.427 -1.745 1.00 0.00 C ATOM 32 C ASP A 129 15.308 5.717 -2.889 1.00 0.00 C ATOM 33 O ASP A 129 14.780 6.805 -3.008 1.00 0.00 O ATOM 34 CB ASP A 129 15.737 4.278 -0.893 1.00 0.00 C ATOM 35 CG ASP A 129 16.903 3.509 -0.268 1.00 0.00 C ATOM 36 OD1 ASP A 129 17.715 4.138 0.391 1.00 0.00 O ATOM 37 OD2 ASP A 129 16.964 2.306 -0.459 1.00 0.00 O ATOM 0 H ASP A 129 15.791 6.696 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 129 17.251 5.150 -2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 129 15.084 4.668 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 129 15.134 3.609 -1.507 1.00 0.00 H new ATOM 42 N ASP A 130 15.065 4.752 -3.733 1.00 0.00 N ATOM 43 CA ASP A 130 14.126 4.972 -4.869 1.00 0.00 C ATOM 44 C ASP A 130 13.146 3.799 -4.956 1.00 0.00 C ATOM 45 O ASP A 130 13.486 2.672 -4.655 1.00 0.00 O ATOM 46 CB ASP A 130 14.919 5.071 -6.174 1.00 0.00 C ATOM 47 CG ASP A 130 16.138 4.150 -6.103 1.00 0.00 C ATOM 48 OD1 ASP A 130 17.113 4.535 -5.478 1.00 0.00 O ATOM 49 OD2 ASP A 130 16.076 3.074 -6.675 1.00 0.00 O ATOM 0 H ASP A 130 15.477 3.820 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 130 13.572 5.897 -4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 130 14.288 4.791 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 130 15.237 6.100 -6.341 1.00 0.00 H new ATOM 54 N GLY A 131 11.934 4.056 -5.365 1.00 0.00 N ATOM 55 CA GLY A 131 10.934 2.955 -5.471 1.00 0.00 C ATOM 56 C GLY A 131 9.785 3.213 -4.494 1.00 0.00 C ATOM 57 O GLY A 131 9.917 3.966 -3.549 1.00 0.00 O ATOM 0 H GLY A 131 11.593 4.980 -5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 131 10.552 2.893 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 131 11.406 1.998 -5.249 1.00 0.00 H new ATOM 61 N VAL A 132 8.659 2.593 -4.714 1.00 0.00 N ATOM 62 CA VAL A 132 7.500 2.800 -3.800 1.00 0.00 C ATOM 63 C VAL A 132 7.872 2.341 -2.390 1.00 0.00 C ATOM 64 O VAL A 132 8.583 1.372 -2.210 1.00 0.00 O ATOM 65 CB VAL A 132 6.306 1.986 -4.302 1.00 0.00 C ATOM 66 CG1 VAL A 132 5.044 2.411 -3.549 1.00 0.00 C ATOM 67 CG2 VAL A 132 6.115 2.234 -5.800 1.00 0.00 C ATOM 0 H VAL A 132 8.491 1.951 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 132 7.238 3.858 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 132 6.491 0.926 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.194 1.831 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.180 2.234 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.858 3.471 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.265 1.655 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.931 3.294 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.014 1.930 -6.337 1.00 0.00 H new ATOM 77 N GLU A 133 7.394 3.025 -1.386 1.00 0.00 N ATOM 78 CA GLU A 133 7.721 2.621 0.011 1.00 0.00 C ATOM 79 C GLU A 133 6.451 2.188 0.745 1.00 0.00 C ATOM 80 O GLU A 133 5.491 2.926 0.848 1.00 0.00 O ATOM 81 CB GLU A 133 8.361 3.793 0.758 1.00 0.00 C ATOM 82 CG GLU A 133 9.880 3.720 0.605 1.00 0.00 C ATOM 83 CD GLU A 133 10.333 4.676 -0.499 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.887 5.811 -0.492 1.00 0.00 O ATOM 85 OE2 GLU A 133 11.116 4.256 -1.335 1.00 0.00 O ATOM 0 H GLU A 133 6.793 3.844 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 133 8.421 1.786 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.989 4.738 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.088 3.760 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.363 3.981 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.182 2.701 0.364 1.00 0.00 H new ATOM 92 N CYS A 134 6.454 0.995 1.265 1.00 0.00 N ATOM 93 CA CYS A 134 5.268 0.490 2.011 1.00 0.00 C ATOM 94 C CYS A 134 5.017 1.397 3.217 1.00 0.00 C ATOM 95 O CYS A 134 5.795 1.440 4.147 1.00 0.00 O ATOM 96 CB CYS A 134 5.577 -0.929 2.485 1.00 0.00 C ATOM 97 SG CYS A 134 4.087 -1.755 3.103 1.00 0.00 S ATOM 0 H CYS A 134 7.234 0.341 1.205 1.00 0.00 H new ATOM 0 HA CYS A 134 4.382 0.487 1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.000 -1.505 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.330 -0.896 3.272 1.00 0.00 H new ATOM 102 N ALA A 135 3.942 2.133 3.206 1.00 0.00 N ATOM 103 CA ALA A 135 3.655 3.041 4.350 1.00 0.00 C ATOM 104 C ALA A 135 3.384 2.213 5.606 1.00 0.00 C ATOM 105 O ALA A 135 3.280 2.742 6.696 1.00 0.00 O ATOM 106 CB ALA A 135 2.426 3.893 4.030 1.00 0.00 C ATOM 0 H ALA A 135 3.251 2.145 2.456 1.00 0.00 H new ATOM 0 HA ALA A 135 4.514 3.689 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.216 4.558 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.617 4.486 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.568 3.243 3.858 1.00 0.00 H new ATOM 112 N VAL A 136 3.257 0.922 5.469 1.00 0.00 N ATOM 113 CA VAL A 136 2.980 0.078 6.666 1.00 0.00 C ATOM 114 C VAL A 136 4.272 -0.562 7.186 1.00 0.00 C ATOM 115 O VAL A 136 4.721 -0.257 8.272 1.00 0.00 O ATOM 116 CB VAL A 136 1.986 -1.014 6.297 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.840 -1.984 7.473 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.627 -0.385 5.984 1.00 0.00 C ATOM 0 H VAL A 136 3.332 0.417 4.586 1.00 0.00 H new ATOM 0 HA VAL A 136 2.563 0.710 7.450 1.00 0.00 H new ATOM 0 HB VAL A 136 2.346 -1.553 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.129 -2.768 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.808 -2.432 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.479 -1.443 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.084 -1.168 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.265 0.154 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.730 0.308 5.149 1.00 0.00 H new ATOM 128 N CYS A 137 4.880 -1.451 6.436 1.00 0.00 N ATOM 129 CA CYS A 137 6.132 -2.082 6.945 1.00 0.00 C ATOM 130 C CYS A 137 7.355 -1.313 6.433 1.00 0.00 C ATOM 131 O CYS A 137 8.451 -1.469 6.934 1.00 0.00 O ATOM 132 CB CYS A 137 6.224 -3.558 6.525 1.00 0.00 C ATOM 133 SG CYS A 137 6.742 -3.703 4.797 1.00 0.00 S ATOM 0 H CYS A 137 4.570 -1.759 5.515 1.00 0.00 H new ATOM 0 HA CYS A 137 6.111 -2.041 8.034 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.933 -4.080 7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.256 -4.041 6.661 1.00 0.00 H new ATOM 138 N LEU A 138 7.178 -0.483 5.441 1.00 0.00 N ATOM 139 CA LEU A 138 8.330 0.295 4.901 1.00 0.00 C ATOM 140 C LEU A 138 9.427 -0.672 4.459 1.00 0.00 C ATOM 141 O LEU A 138 10.600 -0.442 4.677 1.00 0.00 O ATOM 142 CB LEU A 138 8.871 1.224 5.988 1.00 0.00 C ATOM 143 CG LEU A 138 7.724 2.052 6.568 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.162 2.676 7.895 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.351 3.163 5.584 1.00 0.00 C ATOM 0 H LEU A 138 6.284 -0.310 4.981 1.00 0.00 H new ATOM 0 HA LEU A 138 8.004 0.890 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.347 0.641 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.635 1.882 5.572 1.00 0.00 H new ATOM 0 HG LEU A 138 6.861 1.408 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.343 3.266 8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.430 1.887 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.025 3.320 7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.533 3.754 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.215 3.806 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 138 7.038 2.721 4.638 1.00 0.00 H new ATOM 157 N ALA A 139 9.051 -1.755 3.839 1.00 0.00 N ATOM 158 CA ALA A 139 10.067 -2.743 3.379 1.00 0.00 C ATOM 159 C ALA A 139 10.235 -2.633 1.862 1.00 0.00 C ATOM 160 O ALA A 139 9.279 -2.696 1.115 1.00 0.00 O ATOM 161 CB ALA A 139 9.605 -4.156 3.741 1.00 0.00 C ATOM 0 H ALA A 139 8.083 -1.999 3.630 1.00 0.00 H new ATOM 0 HA ALA A 139 11.020 -2.537 3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.348 -4.879 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.486 -4.234 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.652 -4.363 3.255 1.00 0.00 H new ATOM 167 N GLU A 140 11.446 -2.470 1.400 1.00 0.00 N ATOM 168 CA GLU A 140 11.674 -2.357 -0.068 1.00 0.00 C ATOM 169 C GLU A 140 10.873 -3.440 -0.793 1.00 0.00 C ATOM 170 O GLU A 140 11.092 -4.620 -0.602 1.00 0.00 O ATOM 171 CB GLU A 140 13.165 -2.540 -0.367 1.00 0.00 C ATOM 172 CG GLU A 140 13.871 -1.183 -0.304 1.00 0.00 C ATOM 173 CD GLU A 140 15.384 -1.390 -0.391 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.975 -1.730 0.620 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.926 -1.204 -1.469 1.00 0.00 O ATOM 0 H GLU A 140 12.286 -2.410 1.976 1.00 0.00 H new ATOM 0 HA GLU A 140 11.351 -1.374 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.609 -3.226 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.297 -2.984 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.533 -0.547 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.616 -0.671 0.624 1.00 0.00 H new ATOM 182 N LEU A 141 9.944 -3.048 -1.621 1.00 0.00 N ATOM 183 CA LEU A 141 9.127 -4.055 -2.355 1.00 0.00 C ATOM 184 C LEU A 141 10.044 -4.923 -3.221 1.00 0.00 C ATOM 185 O LEU A 141 10.415 -4.551 -4.316 1.00 0.00 O ATOM 186 CB LEU A 141 8.113 -3.335 -3.247 1.00 0.00 C ATOM 187 CG LEU A 141 6.898 -2.931 -2.412 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.156 -1.789 -3.110 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.959 -4.130 -2.262 1.00 0.00 C ATOM 0 H LEU A 141 9.715 -2.074 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 141 8.599 -4.686 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.569 -2.453 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.805 -3.986 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 141 7.229 -2.602 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.290 -1.501 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.823 -0.934 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.826 -2.118 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.093 -3.842 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.629 -4.459 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.486 -4.945 -1.765 1.00 0.00 H new ATOM 201 N GLU A 142 10.411 -6.079 -2.737 1.00 0.00 N ATOM 202 CA GLU A 142 11.302 -6.970 -3.530 1.00 0.00 C ATOM 203 C GLU A 142 10.530 -8.227 -3.938 1.00 0.00 C ATOM 204 O GLU A 142 9.538 -8.582 -3.334 1.00 0.00 O ATOM 205 CB GLU A 142 12.514 -7.366 -2.683 1.00 0.00 C ATOM 206 CG GLU A 142 13.217 -6.104 -2.177 1.00 0.00 C ATOM 207 CD GLU A 142 14.726 -6.241 -2.385 1.00 0.00 C ATOM 208 OE1 GLU A 142 15.137 -6.371 -3.526 1.00 0.00 O ATOM 209 OE2 GLU A 142 15.444 -6.214 -1.400 1.00 0.00 O ATOM 0 H GLU A 142 10.132 -6.444 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 142 11.641 -6.445 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 142 12.197 -7.981 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 142 13.204 -7.967 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.844 -5.229 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.997 -5.952 -1.120 1.00 0.00 H new ATOM 216 N ASP A 143 10.977 -8.903 -4.962 1.00 0.00 N ATOM 217 CA ASP A 143 10.267 -10.134 -5.410 1.00 0.00 C ATOM 218 C ASP A 143 10.096 -11.088 -4.226 1.00 0.00 C ATOM 219 O ASP A 143 10.921 -11.144 -3.336 1.00 0.00 O ATOM 220 CB ASP A 143 11.083 -10.821 -6.507 1.00 0.00 C ATOM 221 CG ASP A 143 10.788 -10.157 -7.854 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.473 -8.978 -7.855 1.00 0.00 O ATOM 223 OD2 ASP A 143 10.880 -10.839 -8.862 1.00 0.00 O ATOM 0 H ASP A 143 11.803 -8.656 -5.507 1.00 0.00 H new ATOM 0 HA ASP A 143 9.286 -9.865 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 143 12.147 -10.752 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.834 -11.881 -6.550 1.00 0.00 H new ATOM 228 N GLY A 144 9.029 -11.840 -4.209 1.00 0.00 N ATOM 229 CA GLY A 144 8.803 -12.791 -3.083 1.00 0.00 C ATOM 230 C GLY A 144 7.531 -12.399 -2.328 1.00 0.00 C ATOM 231 O GLY A 144 7.096 -13.089 -1.427 1.00 0.00 O ATOM 0 H GLY A 144 8.304 -11.837 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.713 -13.808 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.658 -12.779 -2.407 1.00 0.00 H new ATOM 235 N GLU A 145 6.929 -11.297 -2.687 1.00 0.00 N ATOM 236 CA GLU A 145 5.685 -10.866 -1.986 1.00 0.00 C ATOM 237 C GLU A 145 4.604 -10.538 -3.018 1.00 0.00 C ATOM 238 O GLU A 145 4.824 -10.626 -4.210 1.00 0.00 O ATOM 239 CB GLU A 145 5.980 -9.620 -1.146 1.00 0.00 C ATOM 240 CG GLU A 145 6.746 -10.022 0.114 1.00 0.00 C ATOM 241 CD GLU A 145 5.833 -10.837 1.032 1.00 0.00 C ATOM 242 OE1 GLU A 145 4.661 -10.505 1.115 1.00 0.00 O ATOM 243 OE2 GLU A 145 6.319 -11.779 1.634 1.00 0.00 O ATOM 0 H GLU A 145 7.244 -10.678 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 145 5.337 -11.670 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.564 -8.907 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.049 -9.123 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.625 -10.608 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.102 -9.133 0.635 1.00 0.00 H new ATOM 250 N GLU A 146 3.439 -10.158 -2.571 1.00 0.00 N ATOM 251 CA GLU A 146 2.347 -9.823 -3.528 1.00 0.00 C ATOM 252 C GLU A 146 1.749 -8.461 -3.164 1.00 0.00 C ATOM 253 O GLU A 146 0.705 -8.374 -2.549 1.00 0.00 O ATOM 254 CB GLU A 146 1.261 -10.898 -3.459 1.00 0.00 C ATOM 255 CG GLU A 146 1.583 -12.012 -4.458 1.00 0.00 C ATOM 256 CD GLU A 146 2.327 -13.141 -3.741 1.00 0.00 C ATOM 257 OE1 GLU A 146 1.818 -13.619 -2.741 1.00 0.00 O ATOM 258 OE2 GLU A 146 3.394 -13.510 -4.206 1.00 0.00 O ATOM 0 H GLU A 146 3.196 -10.065 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 146 2.749 -9.781 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 146 1.201 -11.306 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.288 -10.462 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 146 0.664 -12.393 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 146 2.193 -11.620 -5.272 1.00 0.00 H new ATOM 265 N ALA A 147 2.405 -7.399 -3.542 1.00 0.00 N ATOM 266 CA ALA A 147 1.881 -6.040 -3.223 1.00 0.00 C ATOM 267 C ALA A 147 0.614 -5.778 -4.039 1.00 0.00 C ATOM 268 O ALA A 147 0.507 -6.177 -5.182 1.00 0.00 O ATOM 269 CB ALA A 147 2.943 -4.997 -3.579 1.00 0.00 C ATOM 0 H ALA A 147 3.284 -7.413 -4.060 1.00 0.00 H new ATOM 0 HA ALA A 147 1.646 -5.976 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.566 -4.001 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.847 -5.186 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.173 -5.060 -4.643 1.00 0.00 H new ATOM 275 N ARG A 148 -0.347 -5.113 -3.462 1.00 0.00 N ATOM 276 CA ARG A 148 -1.606 -4.829 -4.201 1.00 0.00 C ATOM 277 C ARG A 148 -1.676 -3.337 -4.549 1.00 0.00 C ATOM 278 O ARG A 148 -1.633 -2.486 -3.683 1.00 0.00 O ATOM 279 CB ARG A 148 -2.799 -5.206 -3.319 1.00 0.00 C ATOM 280 CG ARG A 148 -2.606 -6.621 -2.771 1.00 0.00 C ATOM 281 CD ARG A 148 -3.967 -7.221 -2.417 1.00 0.00 C ATOM 282 NE ARG A 148 -4.731 -7.494 -3.667 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.983 -7.140 -3.757 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.812 -7.423 -2.789 1.00 0.00 N ATOM 285 NH2 ARG A 148 -6.407 -6.503 -4.813 1.00 0.00 N ATOM 0 H ARG A 148 -0.314 -4.753 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.629 -5.412 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.895 -4.497 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.722 -5.151 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.104 -7.244 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.967 -6.597 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.834 -8.143 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.524 -6.534 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 148 -4.275 -7.958 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.480 -7.921 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.791 -7.146 -2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -5.759 -6.281 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -7.386 -6.226 -4.883 1.00 0.00 H new ATOM 299 N PHE A 149 -1.796 -3.019 -5.810 1.00 0.00 N ATOM 300 CA PHE A 149 -1.882 -1.586 -6.220 1.00 0.00 C ATOM 301 C PHE A 149 -3.360 -1.201 -6.347 1.00 0.00 C ATOM 302 O PHE A 149 -4.186 -2.018 -6.705 1.00 0.00 O ATOM 303 CB PHE A 149 -1.189 -1.398 -7.572 1.00 0.00 C ATOM 304 CG PHE A 149 0.100 -2.182 -7.593 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.090 -3.537 -7.947 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.307 -1.555 -7.261 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.286 -4.264 -7.970 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.503 -2.283 -7.283 1.00 0.00 C ATOM 309 CZ PHE A 149 2.493 -3.637 -7.637 1.00 0.00 C ATOM 0 H PHE A 149 -1.838 -3.691 -6.576 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.394 -0.956 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.843 -1.733 -8.377 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -0.986 -0.341 -7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.841 -4.021 -8.202 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.316 -0.510 -6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.278 -5.308 -8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.434 -1.799 -7.027 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.416 -4.198 -7.653 1.00 0.00 H new ATOM 319 N LEU A 150 -3.714 0.023 -6.054 1.00 0.00 N ATOM 320 CA LEU A 150 -5.151 0.410 -6.161 1.00 0.00 C ATOM 321 C LEU A 150 -5.410 1.101 -7.506 1.00 0.00 C ATOM 322 O LEU A 150 -4.520 1.696 -8.081 1.00 0.00 O ATOM 323 CB LEU A 150 -5.514 1.342 -5.008 1.00 0.00 C ATOM 324 CG LEU A 150 -4.909 0.791 -3.716 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.081 1.811 -2.593 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.618 -0.510 -3.334 1.00 0.00 C ATOM 0 H LEU A 150 -3.080 0.762 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.772 -0.484 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.137 2.346 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.597 1.421 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.848 0.596 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.649 1.416 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -4.575 2.738 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.142 2.008 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.187 -0.903 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.680 -0.315 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -5.493 -1.241 -4.133 1.00 0.00 H new ATOM 338 N PRO A 151 -6.629 0.976 -7.972 1.00 0.00 N ATOM 339 CA PRO A 151 -7.063 1.548 -9.263 1.00 0.00 C ATOM 340 C PRO A 151 -7.356 3.050 -9.148 1.00 0.00 C ATOM 341 O PRO A 151 -7.723 3.691 -10.113 1.00 0.00 O ATOM 342 CB PRO A 151 -8.352 0.779 -9.574 1.00 0.00 C ATOM 343 CG PRO A 151 -8.885 0.251 -8.220 1.00 0.00 C ATOM 344 CD PRO A 151 -7.691 0.243 -7.250 1.00 0.00 C ATOM 0 HA PRO A 151 -6.299 1.455 -10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.085 1.428 -10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.157 -0.044 -10.262 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.685 0.888 -7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.300 -0.751 -8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.941 0.731 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.380 -0.774 -7.010 1.00 0.00 H new ATOM 352 N ARG A 152 -7.212 3.617 -7.983 1.00 0.00 N ATOM 353 CA ARG A 152 -7.502 5.072 -7.828 1.00 0.00 C ATOM 354 C ARG A 152 -6.233 5.884 -8.017 1.00 0.00 C ATOM 355 O ARG A 152 -6.209 6.898 -8.685 1.00 0.00 O ATOM 356 CB ARG A 152 -7.974 5.326 -6.404 1.00 0.00 C ATOM 357 CG ARG A 152 -8.810 4.154 -5.910 1.00 0.00 C ATOM 358 CD ARG A 152 -9.746 4.641 -4.813 1.00 0.00 C ATOM 359 NE ARG A 152 -11.021 5.104 -5.430 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.281 6.380 -5.512 1.00 0.00 C ATOM 361 NH1 ARG A 152 -11.033 7.164 -4.498 1.00 0.00 N ATOM 362 NH2 ARG A 152 -11.791 6.873 -6.607 1.00 0.00 N ATOM 0 H ARG A 152 -6.908 3.140 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.252 5.357 -8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.115 5.471 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.562 6.243 -6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.384 3.728 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.163 3.364 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -9.942 3.838 -4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.281 5.454 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 152 -11.691 4.423 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -10.636 6.779 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.236 8.161 -4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -11.987 6.261 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -11.994 7.871 -6.671 1.00 0.00 H new ATOM 376 N CYS A 153 -5.196 5.455 -7.382 1.00 0.00 N ATOM 377 CA CYS A 153 -3.909 6.193 -7.443 1.00 0.00 C ATOM 378 C CYS A 153 -2.810 5.306 -8.025 1.00 0.00 C ATOM 379 O CYS A 153 -2.075 5.709 -8.904 1.00 0.00 O ATOM 380 CB CYS A 153 -3.524 6.599 -6.019 1.00 0.00 C ATOM 381 SG CYS A 153 -3.903 5.237 -4.879 1.00 0.00 S ATOM 0 H CYS A 153 -5.179 4.610 -6.811 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.022 7.070 -8.081 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.462 6.842 -5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -4.069 7.496 -5.725 1.00 0.00 H new ATOM 386 N GLY A 154 -2.682 4.110 -7.531 1.00 0.00 N ATOM 387 CA GLY A 154 -1.618 3.208 -8.042 1.00 0.00 C ATOM 388 C GLY A 154 -0.587 2.975 -6.937 1.00 0.00 C ATOM 389 O GLY A 154 0.422 2.331 -7.147 1.00 0.00 O ATOM 0 H GLY A 154 -3.269 3.717 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.050 2.259 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.139 3.649 -8.916 1.00 0.00 H new ATOM 393 N HIS A 155 -0.835 3.478 -5.753 1.00 0.00 N ATOM 394 CA HIS A 155 0.138 3.255 -4.646 1.00 0.00 C ATOM 395 C HIS A 155 0.205 1.751 -4.395 1.00 0.00 C ATOM 396 O HIS A 155 -0.788 1.122 -4.088 1.00 0.00 O ATOM 397 CB HIS A 155 -0.324 3.965 -3.367 1.00 0.00 C ATOM 398 CG HIS A 155 -0.128 5.458 -3.483 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.097 6.360 -3.050 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.905 6.212 -3.975 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.617 7.596 -3.297 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.595 7.561 -3.857 1.00 0.00 N ATOM 0 H HIS A 155 -1.660 4.027 -5.509 1.00 0.00 H new ATOM 0 HA HIS A 155 1.114 3.655 -4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.376 3.745 -3.183 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.236 3.585 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.820 5.818 -4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.150 8.507 -3.069 1.00 0.00 H new ATOM 0 HE2 HIS A 155 1.170 8.355 -4.138 1.00 0.00 H new ATOM 409 N GLY A 156 1.351 1.157 -4.551 1.00 0.00 N ATOM 410 CA GLY A 156 1.447 -0.314 -4.349 1.00 0.00 C ATOM 411 C GLY A 156 1.904 -0.639 -2.927 1.00 0.00 C ATOM 412 O GLY A 156 2.976 -0.260 -2.498 1.00 0.00 O ATOM 0 H GLY A 156 2.222 1.622 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.478 -0.775 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.148 -0.739 -5.067 1.00 0.00 H new ATOM 416 N PHE A 157 1.094 -1.360 -2.206 1.00 0.00 N ATOM 417 CA PHE A 157 1.451 -1.753 -0.815 1.00 0.00 C ATOM 418 C PHE A 157 1.563 -3.272 -0.781 1.00 0.00 C ATOM 419 O PHE A 157 1.476 -3.921 -1.799 1.00 0.00 O ATOM 420 CB PHE A 157 0.349 -1.270 0.138 1.00 0.00 C ATOM 421 CG PHE A 157 0.209 0.222 -0.012 1.00 0.00 C ATOM 422 CD1 PHE A 157 0.989 1.085 0.768 1.00 0.00 C ATOM 423 CD2 PHE A 157 -0.695 0.741 -0.941 1.00 0.00 C ATOM 424 CE1 PHE A 157 0.860 2.471 0.617 1.00 0.00 C ATOM 425 CE2 PHE A 157 -0.825 2.121 -1.091 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.049 2.989 -0.312 1.00 0.00 C ATOM 0 H PHE A 157 0.187 -1.699 -2.526 1.00 0.00 H new ATOM 0 HA PHE A 157 2.395 -1.306 -0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.595 -1.764 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.600 -1.526 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 157 1.689 0.682 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -1.293 0.074 -1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 157 1.461 3.139 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -1.525 2.522 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.152 4.058 -0.428 1.00 0.00 H new ATOM 436 N HIS A 158 1.766 -3.848 0.360 1.00 0.00 N ATOM 437 CA HIS A 158 1.896 -5.328 0.416 1.00 0.00 C ATOM 438 C HIS A 158 0.522 -5.969 0.525 1.00 0.00 C ATOM 439 O HIS A 158 -0.426 -5.350 0.941 1.00 0.00 O ATOM 440 CB HIS A 158 2.714 -5.705 1.642 1.00 0.00 C ATOM 441 CG HIS A 158 4.168 -5.753 1.255 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.099 -4.922 1.840 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.849 -6.482 0.313 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.279 -5.155 1.247 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.187 -6.101 0.309 1.00 0.00 N ATOM 0 H HIS A 158 1.848 -3.366 1.255 1.00 0.00 H new ATOM 0 HA HIS A 158 2.386 -5.680 -0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.559 -4.977 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.393 -6.673 2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.414 -7.235 -0.327 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.194 -4.639 1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 158 6.935 -6.465 -0.282 1.00 0.00 H new ATOM 452 N ALA A 159 0.409 -7.217 0.187 1.00 0.00 N ATOM 453 CA ALA A 159 -0.907 -7.884 0.323 1.00 0.00 C ATOM 454 C ALA A 159 -1.128 -8.122 1.814 1.00 0.00 C ATOM 455 O ALA A 159 -2.241 -8.149 2.302 1.00 0.00 O ATOM 456 CB ALA A 159 -0.895 -9.220 -0.423 1.00 0.00 C ATOM 0 H ALA A 159 1.164 -7.800 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.703 -7.270 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.866 -9.704 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.689 -9.045 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.122 -9.864 -0.004 1.00 0.00 H new ATOM 462 N GLU A 160 -0.050 -8.284 2.540 1.00 0.00 N ATOM 463 CA GLU A 160 -0.146 -8.512 4.007 1.00 0.00 C ATOM 464 C GLU A 160 -0.252 -7.170 4.741 1.00 0.00 C ATOM 465 O GLU A 160 -1.127 -6.978 5.556 1.00 0.00 O ATOM 466 CB GLU A 160 1.100 -9.258 4.488 1.00 0.00 C ATOM 467 CG GLU A 160 0.929 -10.758 4.237 1.00 0.00 C ATOM 468 CD GLU A 160 1.804 -11.545 5.215 1.00 0.00 C ATOM 469 OE1 GLU A 160 1.483 -11.551 6.392 1.00 0.00 O ATOM 470 OE2 GLU A 160 2.780 -12.126 4.771 1.00 0.00 O ATOM 0 H GLU A 160 0.901 -8.267 2.171 1.00 0.00 H new ATOM 0 HA GLU A 160 -1.035 -9.106 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.982 -8.890 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.260 -9.073 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.116 -11.041 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.206 -10.999 3.211 1.00 0.00 H new ATOM 477 N CYS A 161 0.633 -6.238 4.474 1.00 0.00 N ATOM 478 CA CYS A 161 0.553 -4.928 5.183 1.00 0.00 C ATOM 479 C CYS A 161 -0.718 -4.205 4.759 1.00 0.00 C ATOM 480 O CYS A 161 -1.359 -3.546 5.549 1.00 0.00 O ATOM 481 CB CYS A 161 1.757 -4.050 4.838 1.00 0.00 C ATOM 482 SG CYS A 161 3.272 -5.010 4.902 1.00 0.00 S ATOM 0 H CYS A 161 1.397 -6.329 3.804 1.00 0.00 H new ATOM 0 HA CYS A 161 0.546 -5.115 6.257 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.631 -3.624 3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.818 -3.215 5.536 1.00 0.00 H new ATOM 487 N VAL A 162 -1.081 -4.313 3.516 1.00 0.00 N ATOM 488 CA VAL A 162 -2.317 -3.621 3.041 1.00 0.00 C ATOM 489 C VAL A 162 -3.546 -4.231 3.730 1.00 0.00 C ATOM 490 O VAL A 162 -4.522 -3.555 3.987 1.00 0.00 O ATOM 491 CB VAL A 162 -2.450 -3.762 1.519 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.960 -5.163 1.166 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.443 -2.719 1.002 1.00 0.00 C ATOM 0 H VAL A 162 -0.581 -4.848 2.806 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.250 -2.562 3.291 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.475 -3.609 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -3.052 -5.255 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.257 -5.910 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.935 -5.322 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.541 -2.815 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.414 -2.878 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.082 -1.720 1.246 1.00 0.00 H new ATOM 503 N ASP A 163 -3.506 -5.502 4.032 1.00 0.00 N ATOM 504 CA ASP A 163 -4.672 -6.148 4.707 1.00 0.00 C ATOM 505 C ASP A 163 -4.708 -5.728 6.176 1.00 0.00 C ATOM 506 O ASP A 163 -5.720 -5.287 6.681 1.00 0.00 O ATOM 507 CB ASP A 163 -4.537 -7.671 4.612 1.00 0.00 C ATOM 508 CG ASP A 163 -5.225 -8.167 3.338 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.656 -7.332 2.559 1.00 0.00 O ATOM 510 OD2 ASP A 163 -5.313 -9.371 3.166 1.00 0.00 O ATOM 0 H ASP A 163 -2.718 -6.121 3.841 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.595 -5.835 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.484 -7.953 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.986 -8.142 5.487 1.00 0.00 H new ATOM 515 N MET A 164 -3.608 -5.854 6.863 1.00 0.00 N ATOM 516 CA MET A 164 -3.573 -5.450 8.294 1.00 0.00 C ATOM 517 C MET A 164 -3.778 -3.940 8.380 1.00 0.00 C ATOM 518 O MET A 164 -4.213 -3.415 9.387 1.00 0.00 O ATOM 519 CB MET A 164 -2.217 -5.821 8.897 1.00 0.00 C ATOM 520 CG MET A 164 -1.906 -7.288 8.594 1.00 0.00 C ATOM 521 SD MET A 164 -2.020 -8.257 10.119 1.00 0.00 S ATOM 522 CE MET A 164 -0.251 -8.293 10.496 1.00 0.00 C ATOM 0 H MET A 164 -2.730 -6.220 6.494 1.00 0.00 H new ATOM 0 HA MET A 164 -4.360 -5.963 8.847 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.437 -5.181 8.485 1.00 0.00 H new ATOM 0 HB3 MET A 164 -2.229 -5.656 9.974 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.606 -7.673 7.852 1.00 0.00 H new ATOM 0 HG3 MET A 164 -0.907 -7.378 8.167 1.00 0.00 H new ATOM 0 HE1 MET A 164 -0.087 -8.852 11.417 1.00 0.00 H new ATOM 0 HE2 MET A 164 0.285 -8.775 9.679 1.00 0.00 H new ATOM 0 HE3 MET A 164 0.115 -7.274 10.620 1.00 0.00 H new ATOM 532 N TRP A 165 -3.476 -3.238 7.321 1.00 0.00 N ATOM 533 CA TRP A 165 -3.659 -1.761 7.328 1.00 0.00 C ATOM 534 C TRP A 165 -5.135 -1.448 7.162 1.00 0.00 C ATOM 535 O TRP A 165 -5.594 -0.375 7.497 1.00 0.00 O ATOM 536 CB TRP A 165 -2.897 -1.130 6.160 1.00 0.00 C ATOM 537 CG TRP A 165 -3.297 0.309 6.031 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.294 0.783 5.236 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.735 1.467 6.714 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.361 2.160 5.384 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.425 2.624 6.284 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.699 1.623 7.652 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.100 3.889 6.766 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.370 2.898 8.142 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.069 4.029 7.699 1.00 0.00 C ATOM 0 H TRP A 165 -3.110 -3.626 6.451 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.282 -1.360 8.269 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.823 -1.208 6.327 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.116 -1.665 5.236 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -4.928 0.186 4.596 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.022 2.757 4.887 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.153 0.758 7.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.642 4.757 6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.574 3.007 8.864 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.811 5.007 8.078 1.00 0.00 H new ATOM 556 N LEU A 166 -5.889 -2.372 6.641 1.00 0.00 N ATOM 557 CA LEU A 166 -7.324 -2.102 6.457 1.00 0.00 C ATOM 558 C LEU A 166 -8.005 -2.233 7.808 1.00 0.00 C ATOM 559 O LEU A 166 -8.330 -1.247 8.428 1.00 0.00 O ATOM 560 CB LEU A 166 -7.901 -3.123 5.474 1.00 0.00 C ATOM 561 CG LEU A 166 -7.379 -2.825 4.068 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.381 -4.108 3.238 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.281 -1.787 3.402 1.00 0.00 C ATOM 0 H LEU A 166 -5.570 -3.293 6.339 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.484 -1.100 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.618 -4.132 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -8.990 -3.081 5.486 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.362 -2.438 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.009 -3.894 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -6.739 -4.850 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.397 -4.497 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -7.911 -1.573 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.297 -2.176 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.279 -0.871 3.993 1.00 0.00 H new ATOM 575 N GLY A 167 -8.170 -3.445 8.275 1.00 0.00 N ATOM 576 CA GLY A 167 -8.812 -3.690 9.612 1.00 0.00 C ATOM 577 C GLY A 167 -9.762 -2.541 9.979 1.00 0.00 C ATOM 578 O GLY A 167 -9.864 -2.165 11.128 1.00 0.00 O ATOM 0 H GLY A 167 -7.884 -4.291 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.363 -4.630 9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -8.042 -3.790 10.377 1.00 0.00 H new ATOM 582 N SER A 168 -10.436 -1.981 8.997 1.00 0.00 N ATOM 583 CA SER A 168 -11.371 -0.834 9.234 1.00 0.00 C ATOM 584 C SER A 168 -11.297 0.108 8.027 1.00 0.00 C ATOM 585 O SER A 168 -12.274 0.330 7.339 1.00 0.00 O ATOM 586 CB SER A 168 -10.970 -0.056 10.489 1.00 0.00 C ATOM 587 OG SER A 168 -11.600 1.219 10.475 1.00 0.00 O ATOM 0 H SER A 168 -10.374 -2.278 8.023 1.00 0.00 H new ATOM 0 HA SER A 168 -12.381 -1.221 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.262 -0.609 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 168 -9.887 0.061 10.527 1.00 0.00 H new ATOM 0 HG SER A 168 -11.346 1.718 11.279 1.00 0.00 H new ATOM 593 N HIS A 169 -10.140 0.665 7.766 1.00 0.00 N ATOM 594 CA HIS A 169 -9.999 1.591 6.605 1.00 0.00 C ATOM 595 C HIS A 169 -10.046 0.790 5.304 1.00 0.00 C ATOM 596 O HIS A 169 -9.138 0.050 4.984 1.00 0.00 O ATOM 597 CB HIS A 169 -8.648 2.325 6.690 1.00 0.00 C ATOM 598 CG HIS A 169 -8.654 3.252 7.875 1.00 0.00 C ATOM 599 ND1 HIS A 169 -8.091 2.900 9.092 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.149 4.522 8.043 1.00 0.00 C ATOM 601 CE1 HIS A 169 -8.260 3.938 9.931 1.00 0.00 C ATOM 602 NE2 HIS A 169 -8.899 4.953 9.344 1.00 0.00 N ATOM 0 H HIS A 169 -9.289 0.517 8.308 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.814 2.315 6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.836 1.604 6.783 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.470 2.889 5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -9.655 5.099 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -7.920 3.949 10.956 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.150 5.850 9.759 1.00 0.00 H new ATOM 610 N SER A 170 -11.090 0.954 4.540 1.00 0.00 N ATOM 611 CA SER A 170 -11.192 0.227 3.245 1.00 0.00 C ATOM 612 C SER A 170 -10.665 1.148 2.154 1.00 0.00 C ATOM 613 O SER A 170 -11.259 1.302 1.106 1.00 0.00 O ATOM 614 CB SER A 170 -12.653 -0.128 2.964 1.00 0.00 C ATOM 615 OG SER A 170 -12.776 -1.537 2.825 1.00 0.00 O ATOM 0 H SER A 170 -11.879 1.562 4.758 1.00 0.00 H new ATOM 0 HA SER A 170 -10.613 -0.696 3.278 1.00 0.00 H new ATOM 0 HB2 SER A 170 -13.288 0.226 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.992 0.370 2.055 1.00 0.00 H new ATOM 0 HG SER A 170 -13.712 -1.768 2.647 1.00 0.00 H new ATOM 621 N THR A 171 -9.558 1.783 2.414 1.00 0.00 N ATOM 622 CA THR A 171 -8.986 2.725 1.422 1.00 0.00 C ATOM 623 C THR A 171 -7.472 2.540 1.329 1.00 0.00 C ATOM 624 O THR A 171 -6.883 1.701 1.980 1.00 0.00 O ATOM 625 CB THR A 171 -9.290 4.161 1.855 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.569 4.457 3.043 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.790 4.312 2.115 1.00 0.00 C ATOM 0 H THR A 171 -9.023 1.687 3.277 1.00 0.00 H new ATOM 0 HA THR A 171 -9.431 2.526 0.447 1.00 0.00 H new ATOM 0 HB THR A 171 -8.990 4.850 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 171 -8.761 5.377 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.005 5.335 2.423 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.342 4.084 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.094 3.624 2.904 1.00 0.00 H new ATOM 635 N CYS A 172 -6.853 3.339 0.513 1.00 0.00 N ATOM 636 CA CYS A 172 -5.379 3.277 0.321 1.00 0.00 C ATOM 637 C CYS A 172 -4.694 3.818 1.587 1.00 0.00 C ATOM 638 O CYS A 172 -5.126 4.812 2.136 1.00 0.00 O ATOM 639 CB CYS A 172 -5.081 4.174 -0.878 1.00 0.00 C ATOM 640 SG CYS A 172 -3.345 4.119 -1.352 1.00 0.00 S ATOM 0 H CYS A 172 -7.320 4.054 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.017 2.263 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.697 3.865 -1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.359 5.201 -0.640 1.00 0.00 H new ATOM 645 N PRO A 173 -3.661 3.137 2.035 1.00 0.00 N ATOM 646 CA PRO A 173 -2.932 3.528 3.259 1.00 0.00 C ATOM 647 C PRO A 173 -2.046 4.752 3.078 1.00 0.00 C ATOM 648 O PRO A 173 -1.648 5.365 4.049 1.00 0.00 O ATOM 649 CB PRO A 173 -2.062 2.314 3.573 1.00 0.00 C ATOM 650 CG PRO A 173 -1.926 1.521 2.260 1.00 0.00 C ATOM 651 CD PRO A 173 -3.116 1.927 1.374 1.00 0.00 C ATOM 0 HA PRO A 173 -3.633 3.800 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.084 2.623 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.518 1.701 4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.981 1.748 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.935 0.448 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.799 2.139 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.861 1.133 1.318 1.00 0.00 H new ATOM 659 N LEU A 174 -1.689 5.117 1.887 1.00 0.00 N ATOM 660 CA LEU A 174 -0.793 6.292 1.784 1.00 0.00 C ATOM 661 C LEU A 174 -1.573 7.553 1.413 1.00 0.00 C ATOM 662 O LEU A 174 -1.321 8.616 1.945 1.00 0.00 O ATOM 663 CB LEU A 174 0.295 6.031 0.742 1.00 0.00 C ATOM 664 CG LEU A 174 1.285 7.198 0.739 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.284 7.023 1.884 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.035 7.225 -0.594 1.00 0.00 C ATOM 0 H LEU A 174 -1.965 4.674 1.011 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.333 6.451 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.814 5.100 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.152 5.916 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 174 0.744 8.135 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.989 7.854 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.749 7.003 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.827 6.087 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.741 8.056 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.577 6.288 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.323 7.350 -1.410 1.00 0.00 H new ATOM 678 N CYS A 175 -2.525 7.464 0.528 1.00 0.00 N ATOM 679 CA CYS A 175 -3.297 8.686 0.181 1.00 0.00 C ATOM 680 C CYS A 175 -4.692 8.573 0.810 1.00 0.00 C ATOM 681 O CYS A 175 -5.165 9.506 1.421 1.00 0.00 O ATOM 682 CB CYS A 175 -3.355 8.860 -1.340 1.00 0.00 C ATOM 683 SG CYS A 175 -4.424 7.612 -2.073 1.00 0.00 S ATOM 0 H CYS A 175 -2.798 6.613 0.037 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.810 9.576 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.726 9.855 -1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.352 8.781 -1.760 1.00 0.00 H new ATOM 688 N ARG A 176 -5.319 7.417 0.693 1.00 0.00 N ATOM 689 CA ARG A 176 -6.665 7.165 1.315 1.00 0.00 C ATOM 690 C ARG A 176 -7.788 7.316 0.297 1.00 0.00 C ATOM 691 O ARG A 176 -8.897 7.677 0.637 1.00 0.00 O ATOM 692 CB ARG A 176 -6.920 8.091 2.509 1.00 0.00 C ATOM 693 CG ARG A 176 -5.788 7.929 3.530 1.00 0.00 C ATOM 694 CD ARG A 176 -6.142 8.691 4.808 1.00 0.00 C ATOM 695 NE ARG A 176 -7.375 8.106 5.405 1.00 0.00 N ATOM 696 CZ ARG A 176 -7.712 8.403 6.630 1.00 0.00 C ATOM 697 NH1 ARG A 176 -6.849 8.253 7.598 1.00 0.00 N ATOM 698 NH2 ARG A 176 -8.911 8.849 6.887 1.00 0.00 N ATOM 0 H ARG A 176 -4.942 6.620 0.179 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.655 6.135 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -6.977 9.127 2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -7.878 7.852 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.634 6.873 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -4.853 8.307 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -5.318 8.634 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -6.298 9.746 4.584 1.00 0.00 H new ATOM 0 HE ARG A 176 -7.956 7.473 4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -5.912 7.904 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -7.112 8.485 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -9.585 8.965 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -9.174 9.081 7.845 1.00 0.00 H new ATOM 712 N LEU A 177 -7.536 7.001 -0.939 1.00 0.00 N ATOM 713 CA LEU A 177 -8.619 7.084 -1.943 1.00 0.00 C ATOM 714 C LEU A 177 -9.477 5.824 -1.793 1.00 0.00 C ATOM 715 O LEU A 177 -9.161 4.785 -2.335 1.00 0.00 O ATOM 716 CB LEU A 177 -8.015 7.130 -3.349 1.00 0.00 C ATOM 717 CG LEU A 177 -7.184 8.398 -3.527 1.00 0.00 C ATOM 718 CD1 LEU A 177 -6.041 8.126 -4.507 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.079 9.498 -4.096 1.00 0.00 C ATOM 0 H LEU A 177 -6.631 6.692 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 177 -9.218 7.982 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -7.391 6.252 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.809 7.100 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.773 8.707 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.448 9.031 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.408 7.329 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.452 7.823 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.496 10.410 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.478 9.180 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.902 9.690 -3.408 1.00 0.00 H new ATOM 731 N THR A 178 -10.546 5.887 -1.042 1.00 0.00 N ATOM 732 CA THR A 178 -11.383 4.664 -0.868 1.00 0.00 C ATOM 733 C THR A 178 -11.615 4.013 -2.219 1.00 0.00 C ATOM 734 O THR A 178 -11.757 4.676 -3.221 1.00 0.00 O ATOM 735 CB THR A 178 -12.728 5.013 -0.238 1.00 0.00 C ATOM 736 OG1 THR A 178 -13.719 4.119 -0.724 1.00 0.00 O ATOM 737 CG2 THR A 178 -13.111 6.453 -0.583 1.00 0.00 C ATOM 0 H THR A 178 -10.872 6.718 -0.549 1.00 0.00 H new ATOM 0 HA THR A 178 -10.856 3.975 -0.207 1.00 0.00 H new ATOM 0 HB THR A 178 -12.654 4.921 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 178 -14.584 4.339 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 178 -14.072 6.693 -0.129 1.00 0.00 H new ATOM 0 HG22 THR A 178 -12.350 7.133 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 178 -13.184 6.561 -1.665 1.00 0.00 H new ATOM 745 N VAL A 179 -11.655 2.716 -2.252 1.00 0.00 N ATOM 746 CA VAL A 179 -11.871 2.014 -3.551 1.00 0.00 C ATOM 747 C VAL A 179 -13.269 1.392 -3.564 1.00 0.00 C ATOM 748 O VAL A 179 -13.789 1.032 -4.602 1.00 0.00 O ATOM 749 CB VAL A 179 -10.814 0.916 -3.729 1.00 0.00 C ATOM 750 CG1 VAL A 179 -10.502 0.745 -5.217 1.00 0.00 C ATOM 751 CG2 VAL A 179 -9.537 1.298 -2.975 1.00 0.00 C ATOM 0 H VAL A 179 -11.548 2.108 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 179 -11.783 2.729 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 179 -11.198 -0.022 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -9.751 -0.035 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -11.411 0.464 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -10.122 1.684 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -8.790 0.515 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -9.150 2.238 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -9.761 1.413 -1.915 1.00 0.00 H new ATOM 761 N VAL A 180 -13.884 1.268 -2.419 1.00 0.00 N ATOM 762 CA VAL A 180 -15.247 0.675 -2.365 1.00 0.00 C ATOM 763 C VAL A 180 -16.255 1.759 -1.977 1.00 0.00 C ATOM 764 O VAL A 180 -16.201 2.312 -0.897 1.00 0.00 O ATOM 765 CB VAL A 180 -15.273 -0.444 -1.323 1.00 0.00 C ATOM 766 CG1 VAL A 180 -14.874 -1.765 -1.980 1.00 0.00 C ATOM 767 CG2 VAL A 180 -14.290 -0.121 -0.194 1.00 0.00 C ATOM 0 H VAL A 180 -13.499 1.553 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 180 -15.508 0.267 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 180 -16.280 -0.530 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -14.893 -2.562 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -15.575 -1.999 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -13.869 -1.677 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -14.311 -0.920 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -13.283 -0.031 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -14.575 0.819 0.279 1.00 0.00 H new ATOM 777 N VAL A 181 -17.176 2.069 -2.850 1.00 0.00 N ATOM 778 CA VAL A 181 -18.185 3.118 -2.527 1.00 0.00 C ATOM 779 C VAL A 181 -19.346 2.490 -1.754 1.00 0.00 C ATOM 780 O VAL A 181 -20.430 3.047 -1.795 1.00 0.00 O ATOM 781 CB VAL A 181 -18.713 3.736 -3.823 1.00 0.00 C ATOM 782 CG1 VAL A 181 -17.537 4.190 -4.689 1.00 0.00 C ATOM 783 CG2 VAL A 181 -19.535 2.696 -4.587 1.00 0.00 C ATOM 784 OXT VAL A 181 -19.130 1.463 -1.131 1.00 0.00 O ATOM 0 H VAL A 181 -17.273 1.642 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 181 -17.719 3.893 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 181 -19.342 4.594 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -17.914 4.630 -5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -16.950 4.931 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -16.908 3.332 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -19.911 3.136 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -18.906 1.838 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -20.374 2.372 -3.971 1.00 0.00 H new TER 794 VAL A 181 HETATM 795 ZN ZN A 182 4.801 -3.875 3.615 1.00 0.00 ZN HETATM 796 ZN ZN A 183 -3.124 5.859 -2.830 1.00 0.00 ZN