USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=5 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 176:sc= 0 (180deg=-0.00512) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 103:sc= -0.0289! USER MOD Single : A 169 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.018) 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 -101:sc= 0.124 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 19.370 9.130 2.451 1.00 0.00 N ATOM 2 CA ALA A 127 18.335 8.099 2.155 1.00 0.00 C ATOM 3 C ALA A 127 18.069 8.061 0.649 1.00 0.00 C ATOM 4 O ALA A 127 17.849 9.080 0.022 1.00 0.00 O ATOM 5 CB ALA A 127 17.041 8.447 2.895 1.00 0.00 C ATOM 0 HA ALA A 127 18.690 7.123 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 127 16.284 7.693 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 127 17.231 8.473 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 127 16.685 9.423 2.566 1.00 0.00 H new ATOM 13 N MET A 128 18.088 6.896 0.061 1.00 0.00 N ATOM 14 CA MET A 128 17.835 6.796 -1.404 1.00 0.00 C ATOM 15 C MET A 128 16.895 5.620 -1.679 1.00 0.00 C ATOM 16 O MET A 128 17.312 4.480 -1.736 1.00 0.00 O ATOM 17 CB MET A 128 19.161 6.573 -2.136 1.00 0.00 C ATOM 18 CG MET A 128 19.776 5.246 -1.687 1.00 0.00 C ATOM 19 SD MET A 128 21.540 5.483 -1.353 1.00 0.00 S ATOM 20 CE MET A 128 21.364 6.246 0.279 1.00 0.00 C ATOM 0 H MET A 128 18.268 6.009 0.532 1.00 0.00 H new ATOM 0 HA MET A 128 17.376 7.719 -1.758 1.00 0.00 H new ATOM 0 HB2 MET A 128 18.996 6.563 -3.213 1.00 0.00 H new ATOM 0 HB3 MET A 128 19.847 7.393 -1.926 1.00 0.00 H new ATOM 0 HG2 MET A 128 19.271 4.883 -0.792 1.00 0.00 H new ATOM 0 HG3 MET A 128 19.639 4.489 -2.460 1.00 0.00 H new ATOM 0 HE1 MET A 128 22.351 6.415 0.710 1.00 0.00 H new ATOM 0 HE2 MET A 128 20.843 7.198 0.181 1.00 0.00 H new ATOM 0 HE3 MET A 128 20.792 5.585 0.930 1.00 0.00 H new ATOM 30 N ASP A 129 15.631 5.888 -1.852 1.00 0.00 N ATOM 31 CA ASP A 129 14.666 4.788 -2.123 1.00 0.00 C ATOM 32 C ASP A 129 14.441 4.668 -3.632 1.00 0.00 C ATOM 33 O ASP A 129 14.420 5.651 -4.345 1.00 0.00 O ATOM 34 CB ASP A 129 13.337 5.098 -1.432 1.00 0.00 C ATOM 35 CG ASP A 129 13.349 4.513 -0.018 1.00 0.00 C ATOM 36 OD1 ASP A 129 14.430 4.336 0.519 1.00 0.00 O ATOM 37 OD2 ASP A 129 12.277 4.251 0.503 1.00 0.00 O ATOM 0 H ASP A 129 15.225 6.823 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 129 15.066 3.849 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 129 13.179 6.176 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.510 4.677 -2.004 1.00 0.00 H new ATOM 42 N ASP A 130 14.274 3.471 -4.124 1.00 0.00 N ATOM 43 CA ASP A 130 14.052 3.293 -5.587 1.00 0.00 C ATOM 44 C ASP A 130 12.855 2.369 -5.814 1.00 0.00 C ATOM 45 O ASP A 130 12.938 1.171 -5.622 1.00 0.00 O ATOM 46 CB ASP A 130 15.301 2.676 -6.221 1.00 0.00 C ATOM 47 CG ASP A 130 15.684 3.471 -7.471 1.00 0.00 C ATOM 48 OD1 ASP A 130 15.779 4.683 -7.372 1.00 0.00 O ATOM 49 OD2 ASP A 130 15.878 2.854 -8.505 1.00 0.00 O ATOM 0 H ASP A 130 14.282 2.610 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 130 13.853 4.262 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 130 16.125 2.681 -5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 130 15.113 1.635 -6.483 1.00 0.00 H new ATOM 54 N GLY A 131 11.741 2.914 -6.220 1.00 0.00 N ATOM 55 CA GLY A 131 10.539 2.065 -6.458 1.00 0.00 C ATOM 56 C GLY A 131 9.358 2.614 -5.655 1.00 0.00 C ATOM 57 O GLY A 131 9.052 3.789 -5.706 1.00 0.00 O ATOM 0 H GLY A 131 11.611 3.910 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 131 10.295 2.051 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.744 1.035 -6.165 1.00 0.00 H new ATOM 61 N VAL A 132 8.692 1.773 -4.912 1.00 0.00 N ATOM 62 CA VAL A 132 7.532 2.246 -4.106 1.00 0.00 C ATOM 63 C VAL A 132 7.802 1.985 -2.622 1.00 0.00 C ATOM 64 O VAL A 132 8.608 1.150 -2.268 1.00 0.00 O ATOM 65 CB VAL A 132 6.273 1.491 -4.532 1.00 0.00 C ATOM 66 CG1 VAL A 132 5.062 2.046 -3.780 1.00 0.00 C ATOM 67 CG2 VAL A 132 6.060 1.666 -6.038 1.00 0.00 C ATOM 0 H VAL A 132 8.901 0.778 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 132 7.389 3.314 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 132 6.390 0.433 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.166 1.506 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.212 1.923 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.944 3.105 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.163 1.128 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.944 2.725 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 132 6.921 1.270 -6.576 1.00 0.00 H new ATOM 77 N GLU A 133 7.133 2.693 -1.754 1.00 0.00 N ATOM 78 CA GLU A 133 7.356 2.480 -0.295 1.00 0.00 C ATOM 79 C GLU A 133 6.075 1.978 0.369 1.00 0.00 C ATOM 80 O GLU A 133 4.993 2.474 0.127 1.00 0.00 O ATOM 81 CB GLU A 133 7.786 3.791 0.364 1.00 0.00 C ATOM 82 CG GLU A 133 9.311 3.884 0.364 1.00 0.00 C ATOM 83 CD GLU A 133 9.781 4.617 -0.893 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.900 3.972 -1.922 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.015 5.812 -0.806 1.00 0.00 O ATOM 0 H GLU A 133 6.444 3.407 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 133 8.141 1.734 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.359 4.638 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.408 3.838 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.653 4.412 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.746 2.885 0.399 1.00 0.00 H new ATOM 92 N CYS A 134 6.205 0.999 1.217 1.00 0.00 N ATOM 93 CA CYS A 134 5.022 0.445 1.930 1.00 0.00 C ATOM 94 C CYS A 134 4.649 1.400 3.065 1.00 0.00 C ATOM 95 O CYS A 134 5.371 1.541 4.030 1.00 0.00 O ATOM 96 CB CYS A 134 5.408 -0.917 2.503 1.00 0.00 C ATOM 97 SG CYS A 134 3.960 -1.810 3.129 1.00 0.00 S ATOM 0 H CYS A 134 7.092 0.553 1.450 1.00 0.00 H new ATOM 0 HA CYS A 134 4.173 0.334 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.898 -1.512 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.130 -0.783 3.309 1.00 0.00 H new ATOM 102 N ALA A 135 3.536 2.065 2.955 1.00 0.00 N ATOM 103 CA ALA A 135 3.136 3.015 4.030 1.00 0.00 C ATOM 104 C ALA A 135 2.864 2.247 5.325 1.00 0.00 C ATOM 105 O ALA A 135 2.666 2.832 6.371 1.00 0.00 O ATOM 106 CB ALA A 135 1.869 3.761 3.603 1.00 0.00 C ATOM 0 H ALA A 135 2.887 1.994 2.171 1.00 0.00 H new ATOM 0 HA ALA A 135 3.942 3.729 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.574 4.457 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.064 4.313 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.065 3.045 3.433 1.00 0.00 H new ATOM 112 N VAL A 136 2.842 0.942 5.267 1.00 0.00 N ATOM 113 CA VAL A 136 2.569 0.154 6.501 1.00 0.00 C ATOM 114 C VAL A 136 3.879 -0.354 7.121 1.00 0.00 C ATOM 115 O VAL A 136 4.247 0.047 8.207 1.00 0.00 O ATOM 116 CB VAL A 136 1.676 -1.029 6.154 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.456 -1.884 7.404 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.327 -0.518 5.643 1.00 0.00 C ATOM 0 H VAL A 136 3.000 0.391 4.423 1.00 0.00 H new ATOM 0 HA VAL A 136 2.070 0.797 7.226 1.00 0.00 H new ATOM 0 HB VAL A 136 2.153 -1.630 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.817 -2.732 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.416 -2.248 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.978 -1.282 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.312 -1.365 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.151 0.083 6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.482 0.093 4.753 1.00 0.00 H new ATOM 128 N CYS A 137 4.589 -1.240 6.459 1.00 0.00 N ATOM 129 CA CYS A 137 5.858 -1.744 7.062 1.00 0.00 C ATOM 130 C CYS A 137 7.048 -0.919 6.562 1.00 0.00 C ATOM 131 O CYS A 137 8.120 -0.953 7.133 1.00 0.00 O ATOM 132 CB CYS A 137 6.074 -3.232 6.737 1.00 0.00 C ATOM 133 SG CYS A 137 6.679 -3.439 5.043 1.00 0.00 S ATOM 0 H CYS A 137 4.348 -1.627 5.546 1.00 0.00 H new ATOM 0 HA CYS A 137 5.781 -1.639 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.789 -3.662 7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.138 -3.776 6.863 1.00 0.00 H new ATOM 138 N LEU A 138 6.872 -0.178 5.501 1.00 0.00 N ATOM 139 CA LEU A 138 7.997 0.647 4.973 1.00 0.00 C ATOM 140 C LEU A 138 9.170 -0.265 4.613 1.00 0.00 C ATOM 141 O LEU A 138 10.316 0.056 4.855 1.00 0.00 O ATOM 142 CB LEU A 138 8.442 1.647 6.041 1.00 0.00 C ATOM 143 CG LEU A 138 7.215 2.316 6.664 1.00 0.00 C ATOM 144 CD1 LEU A 138 7.541 2.752 8.093 1.00 0.00 C ATOM 145 CD2 LEU A 138 6.827 3.540 5.834 1.00 0.00 C ATOM 0 H LEU A 138 5.999 -0.108 4.978 1.00 0.00 H new ATOM 0 HA LEU A 138 7.666 1.186 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.021 1.138 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.094 2.400 5.599 1.00 0.00 H new ATOM 0 HG LEU A 138 6.385 1.609 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.667 3.229 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.818 1.880 8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.371 3.459 8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 138 5.953 4.018 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 138 7.657 4.246 5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.594 3.230 4.815 1.00 0.00 H new ATOM 157 N ALA A 139 8.891 -1.400 4.036 1.00 0.00 N ATOM 158 CA ALA A 139 9.990 -2.333 3.661 1.00 0.00 C ATOM 159 C ALA A 139 10.172 -2.328 2.143 1.00 0.00 C ATOM 160 O ALA A 139 9.231 -2.512 1.395 1.00 0.00 O ATOM 161 CB ALA A 139 9.640 -3.747 4.127 1.00 0.00 C ATOM 0 H ALA A 139 7.950 -1.722 3.808 1.00 0.00 H new ATOM 0 HA ALA A 139 10.916 -2.011 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.444 -4.430 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.513 -3.752 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.713 -4.068 3.651 1.00 0.00 H new ATOM 167 N GLU A 140 11.374 -2.121 1.680 1.00 0.00 N ATOM 168 CA GLU A 140 11.611 -2.108 0.211 1.00 0.00 C ATOM 169 C GLU A 140 10.894 -3.300 -0.426 1.00 0.00 C ATOM 170 O GLU A 140 11.208 -4.443 -0.157 1.00 0.00 O ATOM 171 CB GLU A 140 13.115 -2.206 -0.063 1.00 0.00 C ATOM 172 CG GLU A 140 13.670 -0.815 -0.371 1.00 0.00 C ATOM 173 CD GLU A 140 15.153 -0.761 0.003 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.742 -1.818 0.158 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.673 0.335 0.128 1.00 0.00 O ATOM 0 H GLU A 140 12.201 -1.961 2.255 1.00 0.00 H new ATOM 0 HA GLU A 140 11.226 -1.182 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.626 -2.630 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.299 -2.877 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.543 -0.588 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.116 -0.060 0.186 1.00 0.00 H new ATOM 182 N LEU A 141 9.929 -3.044 -1.266 1.00 0.00 N ATOM 183 CA LEU A 141 9.189 -4.163 -1.917 1.00 0.00 C ATOM 184 C LEU A 141 10.173 -5.042 -2.689 1.00 0.00 C ATOM 185 O LEU A 141 10.920 -4.569 -3.523 1.00 0.00 O ATOM 186 CB LEU A 141 8.149 -3.593 -2.885 1.00 0.00 C ATOM 187 CG LEU A 141 6.861 -3.273 -2.125 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.049 -2.243 -2.914 1.00 0.00 C ATOM 189 CD2 LEU A 141 6.035 -4.551 -1.960 1.00 0.00 C ATOM 0 H LEU A 141 9.621 -2.108 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 141 8.688 -4.759 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.536 -2.692 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.945 -4.311 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 141 7.108 -2.870 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.130 -2.013 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.636 -1.333 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.802 -2.649 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.117 -4.323 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.787 -4.953 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.612 -5.288 -1.402 1.00 0.00 H new ATOM 201 N GLU A 142 10.181 -6.318 -2.418 1.00 0.00 N ATOM 202 CA GLU A 142 11.120 -7.225 -3.137 1.00 0.00 C ATOM 203 C GLU A 142 10.322 -8.248 -3.949 1.00 0.00 C ATOM 204 O GLU A 142 9.173 -8.519 -3.664 1.00 0.00 O ATOM 205 CB GLU A 142 11.999 -7.955 -2.120 1.00 0.00 C ATOM 206 CG GLU A 142 12.648 -6.935 -1.182 1.00 0.00 C ATOM 207 CD GLU A 142 12.491 -7.400 0.266 1.00 0.00 C ATOM 208 OE1 GLU A 142 13.202 -8.313 0.655 1.00 0.00 O ATOM 209 OE2 GLU A 142 11.663 -6.837 0.964 1.00 0.00 O ATOM 0 H GLU A 142 9.579 -6.772 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 142 11.748 -6.640 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.400 -8.662 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.767 -8.532 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.704 -6.822 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.184 -5.958 -1.313 1.00 0.00 H new ATOM 216 N ASP A 143 10.925 -8.818 -4.956 1.00 0.00 N ATOM 217 CA ASP A 143 10.201 -9.825 -5.784 1.00 0.00 C ATOM 218 C ASP A 143 9.882 -11.052 -4.929 1.00 0.00 C ATOM 219 O ASP A 143 10.698 -11.511 -4.155 1.00 0.00 O ATOM 220 CB ASP A 143 11.079 -10.238 -6.967 1.00 0.00 C ATOM 221 CG ASP A 143 11.395 -9.010 -7.823 1.00 0.00 C ATOM 222 OD1 ASP A 143 11.304 -7.911 -7.301 1.00 0.00 O ATOM 223 OD2 ASP A 143 11.720 -9.190 -8.985 1.00 0.00 O ATOM 0 H ASP A 143 11.886 -8.631 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 143 9.273 -9.392 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 143 12.003 -10.691 -6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.568 -10.991 -7.567 1.00 0.00 H new ATOM 228 N GLY A 144 8.699 -11.586 -5.061 1.00 0.00 N ATOM 229 CA GLY A 144 8.327 -12.784 -4.255 1.00 0.00 C ATOM 230 C GLY A 144 7.142 -12.439 -3.351 1.00 0.00 C ATOM 231 O GLY A 144 6.363 -13.295 -2.977 1.00 0.00 O ATOM 0 H GLY A 144 7.974 -11.245 -5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.067 -13.613 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.176 -13.109 -3.653 1.00 0.00 H new ATOM 235 N GLU A 145 6.998 -11.192 -2.998 1.00 0.00 N ATOM 236 CA GLU A 145 5.862 -10.790 -2.120 1.00 0.00 C ATOM 237 C GLU A 145 4.613 -10.569 -2.973 1.00 0.00 C ATOM 238 O GLU A 145 4.586 -10.881 -4.146 1.00 0.00 O ATOM 239 CB GLU A 145 6.216 -9.495 -1.388 1.00 0.00 C ATOM 240 CG GLU A 145 7.297 -9.779 -0.344 1.00 0.00 C ATOM 241 CD GLU A 145 6.824 -9.293 1.028 1.00 0.00 C ATOM 242 OE1 GLU A 145 5.627 -9.132 1.196 1.00 0.00 O ATOM 243 OE2 GLU A 145 7.667 -9.090 1.886 1.00 0.00 O ATOM 0 H GLU A 145 7.618 -10.433 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 145 5.670 -11.577 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.569 -8.748 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.329 -9.083 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.512 -10.847 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 145 8.224 -9.277 -0.620 1.00 0.00 H new ATOM 250 N GLU A 146 3.577 -10.031 -2.390 1.00 0.00 N ATOM 251 CA GLU A 146 2.328 -9.790 -3.167 1.00 0.00 C ATOM 252 C GLU A 146 1.810 -8.380 -2.881 1.00 0.00 C ATOM 253 O GLU A 146 0.905 -8.187 -2.094 1.00 0.00 O ATOM 254 CB GLU A 146 1.268 -10.816 -2.762 1.00 0.00 C ATOM 255 CG GLU A 146 1.536 -12.140 -3.481 1.00 0.00 C ATOM 256 CD GLU A 146 1.615 -11.895 -4.989 1.00 0.00 C ATOM 257 OE1 GLU A 146 0.582 -11.634 -5.582 1.00 0.00 O ATOM 258 OE2 GLU A 146 2.709 -11.972 -5.524 1.00 0.00 O ATOM 0 H GLU A 146 3.541 -9.748 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 146 2.540 -9.888 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 146 1.286 -10.966 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.274 -10.447 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.468 -12.578 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 146 0.743 -12.854 -3.259 1.00 0.00 H new ATOM 265 N ALA A 147 2.375 -7.393 -3.520 1.00 0.00 N ATOM 266 CA ALA A 147 1.914 -5.996 -3.293 1.00 0.00 C ATOM 267 C ALA A 147 0.511 -5.829 -3.874 1.00 0.00 C ATOM 268 O ALA A 147 -0.039 -6.737 -4.464 1.00 0.00 O ATOM 269 CB ALA A 147 2.873 -5.021 -3.981 1.00 0.00 C ATOM 0 H ALA A 147 3.137 -7.495 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 147 1.895 -5.787 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.534 -3.999 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.874 -5.143 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.894 -5.226 -5.051 1.00 0.00 H new ATOM 275 N ARG A 148 -0.071 -4.678 -3.708 1.00 0.00 N ATOM 276 CA ARG A 148 -1.439 -4.447 -4.240 1.00 0.00 C ATOM 277 C ARG A 148 -1.576 -2.972 -4.619 1.00 0.00 C ATOM 278 O ARG A 148 -1.384 -2.092 -3.805 1.00 0.00 O ATOM 279 CB ARG A 148 -2.462 -4.808 -3.158 1.00 0.00 C ATOM 280 CG ARG A 148 -2.215 -6.239 -2.676 1.00 0.00 C ATOM 281 CD ARG A 148 -3.507 -6.814 -2.096 1.00 0.00 C ATOM 282 NE ARG A 148 -4.120 -7.746 -3.084 1.00 0.00 N ATOM 283 CZ ARG A 148 -4.938 -8.677 -2.681 1.00 0.00 C ATOM 284 NH1 ARG A 148 -5.880 -8.393 -1.823 1.00 0.00 N ATOM 285 NH2 ARG A 148 -4.816 -9.894 -3.136 1.00 0.00 N ATOM 0 H ARG A 148 0.345 -3.882 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.615 -5.065 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.383 -4.113 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.473 -4.716 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -1.869 -6.858 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.429 -6.249 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.298 -7.340 -1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.202 -6.009 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.899 -7.655 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -5.976 -7.442 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -6.520 -9.122 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -4.081 -10.116 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -5.456 -10.623 -2.821 1.00 0.00 H new ATOM 299 N PHE A 149 -1.897 -2.694 -5.852 1.00 0.00 N ATOM 300 CA PHE A 149 -2.032 -1.274 -6.285 1.00 0.00 C ATOM 301 C PHE A 149 -3.513 -0.911 -6.411 1.00 0.00 C ATOM 302 O PHE A 149 -4.333 -1.733 -6.772 1.00 0.00 O ATOM 303 CB PHE A 149 -1.346 -1.093 -7.640 1.00 0.00 C ATOM 304 CG PHE A 149 -0.024 -1.821 -7.635 1.00 0.00 C ATOM 305 CD1 PHE A 149 1.104 -1.220 -7.064 1.00 0.00 C ATOM 306 CD2 PHE A 149 0.075 -3.098 -8.200 1.00 0.00 C ATOM 307 CE1 PHE A 149 2.331 -1.895 -7.057 1.00 0.00 C ATOM 308 CE2 PHE A 149 1.300 -3.774 -8.194 1.00 0.00 C ATOM 309 CZ PHE A 149 2.428 -3.173 -7.622 1.00 0.00 C ATOM 0 H PHE A 149 -2.072 -3.388 -6.579 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.564 -0.623 -5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.983 -1.478 -8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.189 -0.033 -7.842 1.00 0.00 H new ATOM 0 HD1 PHE A 149 1.028 -0.235 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -0.795 -3.562 -8.641 1.00 0.00 H new ATOM 0 HE1 PHE A 149 3.201 -1.431 -6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 149 1.376 -4.759 -8.630 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.373 -3.695 -7.616 1.00 0.00 H new ATOM 319 N LEU A 150 -3.866 0.313 -6.120 1.00 0.00 N ATOM 320 CA LEU A 150 -5.297 0.719 -6.230 1.00 0.00 C ATOM 321 C LEU A 150 -5.511 1.465 -7.552 1.00 0.00 C ATOM 322 O LEU A 150 -4.564 1.910 -8.170 1.00 0.00 O ATOM 323 CB LEU A 150 -5.660 1.618 -5.045 1.00 0.00 C ATOM 324 CG LEU A 150 -5.075 1.027 -3.757 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.738 1.685 -2.546 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.337 -0.481 -3.716 1.00 0.00 C ATOM 0 H LEU A 150 -3.228 1.047 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.938 -0.163 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.272 2.624 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.743 1.705 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.001 1.211 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.322 1.265 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.553 2.759 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.812 1.501 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.920 -0.898 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.411 -0.665 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.867 -0.956 -4.577 1.00 0.00 H new ATOM 338 N PRO A 151 -6.752 1.558 -7.960 1.00 0.00 N ATOM 339 CA PRO A 151 -7.127 2.220 -9.224 1.00 0.00 C ATOM 340 C PRO A 151 -7.102 3.748 -9.100 1.00 0.00 C ATOM 341 O PRO A 151 -6.704 4.441 -10.016 1.00 0.00 O ATOM 342 CB PRO A 151 -8.551 1.719 -9.480 1.00 0.00 C ATOM 343 CG PRO A 151 -9.112 1.271 -8.110 1.00 0.00 C ATOM 344 CD PRO A 151 -7.896 1.013 -7.201 1.00 0.00 C ATOM 0 HA PRO A 151 -6.434 1.988 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.167 2.507 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.549 0.890 -10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.757 2.040 -7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.716 0.370 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -8.007 1.510 -6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.769 -0.050 -6.999 1.00 0.00 H new ATOM 352 N ARG A 152 -7.528 4.288 -7.990 1.00 0.00 N ATOM 353 CA ARG A 152 -7.529 5.773 -7.850 1.00 0.00 C ATOM 354 C ARG A 152 -6.119 6.321 -8.030 1.00 0.00 C ATOM 355 O ARG A 152 -5.900 7.317 -8.692 1.00 0.00 O ATOM 356 CB ARG A 152 -7.963 6.168 -6.440 1.00 0.00 C ATOM 357 CG ARG A 152 -9.259 5.473 -6.036 1.00 0.00 C ATOM 358 CD ARG A 152 -10.025 6.379 -5.064 1.00 0.00 C ATOM 359 NE ARG A 152 -11.433 6.537 -5.527 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.827 7.670 -6.042 1.00 0.00 C ATOM 361 NH1 ARG A 152 -10.997 8.395 -6.740 1.00 0.00 N ATOM 362 NH2 ARG A 152 -13.055 8.076 -5.859 1.00 0.00 N ATOM 0 H ARG A 152 -7.872 3.771 -7.181 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.209 6.172 -8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.176 5.912 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.098 7.248 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.867 5.266 -6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -9.042 4.514 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.008 5.950 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.541 7.354 -5.002 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.088 5.760 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -10.039 8.077 -6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.306 9.280 -7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.704 7.508 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.365 8.961 -6.261 1.00 0.00 H new ATOM 376 N CYS A 153 -5.172 5.706 -7.390 1.00 0.00 N ATOM 377 CA CYS A 153 -3.774 6.213 -7.454 1.00 0.00 C ATOM 378 C CYS A 153 -2.817 5.163 -8.022 1.00 0.00 C ATOM 379 O CYS A 153 -2.033 5.443 -8.906 1.00 0.00 O ATOM 380 CB CYS A 153 -3.337 6.566 -6.034 1.00 0.00 C ATOM 381 SG CYS A 153 -3.880 5.257 -4.898 1.00 0.00 S ATOM 0 H CYS A 153 -5.303 4.869 -6.821 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.744 7.082 -8.111 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.253 6.675 -5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.766 7.523 -5.736 1.00 0.00 H new ATOM 386 N GLY A 154 -2.850 3.968 -7.505 1.00 0.00 N ATOM 387 CA GLY A 154 -1.917 2.925 -7.998 1.00 0.00 C ATOM 388 C GLY A 154 -0.882 2.626 -6.908 1.00 0.00 C ATOM 389 O GLY A 154 -0.085 1.718 -7.034 1.00 0.00 O ATOM 0 H GLY A 154 -3.483 3.671 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.466 2.019 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.420 3.264 -8.907 1.00 0.00 H new ATOM 393 N HIS A 155 -0.890 3.377 -5.828 1.00 0.00 N ATOM 394 CA HIS A 155 0.096 3.105 -4.739 1.00 0.00 C ATOM 395 C HIS A 155 0.091 1.601 -4.474 1.00 0.00 C ATOM 396 O HIS A 155 -0.954 0.988 -4.394 1.00 0.00 O ATOM 397 CB HIS A 155 -0.302 3.837 -3.447 1.00 0.00 C ATOM 398 CG HIS A 155 -0.074 5.325 -3.568 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.009 6.244 -3.101 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.963 6.061 -4.080 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.509 7.471 -3.345 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.687 7.415 -3.939 1.00 0.00 N ATOM 0 H HIS A 155 -1.528 4.154 -5.658 1.00 0.00 H new ATOM 0 HA HIS A 155 1.082 3.454 -5.044 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.352 3.644 -3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.277 3.445 -2.611 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.858 5.651 -4.525 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.015 8.391 -3.091 1.00 0.00 H new ATOM 0 HE2 HIS A 155 1.272 8.199 -4.227 1.00 0.00 H new ATOM 409 N GLY A 156 1.235 0.991 -4.352 1.00 0.00 N ATOM 410 CA GLY A 156 1.254 -0.479 -4.114 1.00 0.00 C ATOM 411 C GLY A 156 1.716 -0.787 -2.688 1.00 0.00 C ATOM 412 O GLY A 156 2.714 -0.279 -2.218 1.00 0.00 O ATOM 0 H GLY A 156 2.149 1.440 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.259 -0.892 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 156 1.920 -0.960 -4.830 1.00 0.00 H new ATOM 416 N PHE A 157 0.993 -1.633 -2.008 1.00 0.00 N ATOM 417 CA PHE A 157 1.367 -2.011 -0.616 1.00 0.00 C ATOM 418 C PHE A 157 1.371 -3.529 -0.516 1.00 0.00 C ATOM 419 O PHE A 157 0.687 -4.218 -1.243 1.00 0.00 O ATOM 420 CB PHE A 157 0.340 -1.443 0.363 1.00 0.00 C ATOM 421 CG PHE A 157 0.098 0.009 0.041 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.875 0.367 -0.897 1.00 0.00 C ATOM 423 CD2 PHE A 157 0.851 0.997 0.683 1.00 0.00 C ATOM 424 CE1 PHE A 157 -1.097 1.715 -1.193 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.630 2.347 0.389 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.345 2.707 -0.549 1.00 0.00 C ATOM 0 H PHE A 157 0.149 -2.084 -2.362 1.00 0.00 H new ATOM 0 HA PHE A 157 2.352 -1.612 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.593 -2.003 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.700 -1.546 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.455 -0.398 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.603 0.718 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.848 1.992 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.211 3.110 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.518 3.749 -0.776 1.00 0.00 H new ATOM 436 N HIS A 158 2.134 -4.055 0.377 1.00 0.00 N ATOM 437 CA HIS A 158 2.196 -5.530 0.528 1.00 0.00 C ATOM 438 C HIS A 158 0.792 -6.107 0.602 1.00 0.00 C ATOM 439 O HIS A 158 -0.137 -5.449 1.013 1.00 0.00 O ATOM 440 CB HIS A 158 2.936 -5.855 1.817 1.00 0.00 C ATOM 441 CG HIS A 158 4.412 -5.870 1.528 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.262 -4.948 2.097 1.00 0.00 N ATOM 443 CD2 HIS A 158 5.183 -6.634 0.688 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.485 -5.159 1.592 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.498 -6.180 0.729 1.00 0.00 N ATOM 0 H HIS A 158 2.726 -3.528 1.019 1.00 0.00 H new ATOM 0 HA HIS A 158 2.713 -5.962 -0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.707 -5.114 2.583 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.616 -6.822 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.825 -7.458 0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.356 -4.575 1.851 1.00 0.00 H new ATOM 0 HE2 HIS A 158 7.298 -6.547 0.213 1.00 0.00 H new ATOM 452 N ALA A 159 0.627 -7.343 0.236 1.00 0.00 N ATOM 453 CA ALA A 159 -0.720 -7.951 0.336 1.00 0.00 C ATOM 454 C ALA A 159 -0.972 -8.226 1.817 1.00 0.00 C ATOM 455 O ALA A 159 -2.094 -8.272 2.279 1.00 0.00 O ATOM 456 CB ALA A 159 -0.763 -9.261 -0.453 1.00 0.00 C ATOM 0 H ALA A 159 1.360 -7.953 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.480 -7.287 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.757 -9.701 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.536 -9.062 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.026 -9.954 -0.048 1.00 0.00 H new ATOM 462 N GLU A 160 0.091 -8.398 2.563 1.00 0.00 N ATOM 463 CA GLU A 160 -0.036 -8.658 4.022 1.00 0.00 C ATOM 464 C GLU A 160 -0.187 -7.331 4.770 1.00 0.00 C ATOM 465 O GLU A 160 -1.127 -7.139 5.515 1.00 0.00 O ATOM 466 CB GLU A 160 1.215 -9.386 4.521 1.00 0.00 C ATOM 467 CG GLU A 160 1.274 -10.783 3.904 1.00 0.00 C ATOM 468 CD GLU A 160 2.194 -11.674 4.740 1.00 0.00 C ATOM 469 OE1 GLU A 160 1.838 -11.964 5.871 1.00 0.00 O ATOM 470 OE2 GLU A 160 3.239 -12.051 4.237 1.00 0.00 O ATOM 0 H GLU A 160 1.049 -8.368 2.215 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.915 -9.277 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.108 -8.821 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.197 -9.458 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.274 -11.215 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.641 -10.724 2.879 1.00 0.00 H new ATOM 477 N CYS A 161 0.724 -6.404 4.584 1.00 0.00 N ATOM 478 CA CYS A 161 0.596 -5.104 5.299 1.00 0.00 C ATOM 479 C CYS A 161 -0.696 -4.438 4.859 1.00 0.00 C ATOM 480 O CYS A 161 -1.417 -3.876 5.651 1.00 0.00 O ATOM 481 CB CYS A 161 1.756 -4.168 4.956 1.00 0.00 C ATOM 482 SG CYS A 161 3.324 -5.031 5.079 1.00 0.00 S ATOM 0 H CYS A 161 1.538 -6.493 3.976 1.00 0.00 H new ATOM 0 HA CYS A 161 0.603 -5.296 6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.628 -3.777 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.752 -3.313 5.632 1.00 0.00 H new ATOM 487 N VAL A 162 -0.983 -4.492 3.593 1.00 0.00 N ATOM 488 CA VAL A 162 -2.233 -3.854 3.089 1.00 0.00 C ATOM 489 C VAL A 162 -3.446 -4.472 3.794 1.00 0.00 C ATOM 490 O VAL A 162 -4.487 -3.856 3.907 1.00 0.00 O ATOM 491 CB VAL A 162 -2.351 -4.067 1.577 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.693 -5.530 1.294 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.461 -3.171 1.024 1.00 0.00 C ATOM 0 H VAL A 162 -0.410 -4.948 2.883 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.200 -2.785 3.298 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.405 -3.815 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.777 -5.682 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -1.906 -6.171 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.640 -5.781 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.547 -3.321 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.407 -3.426 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.221 -2.127 1.227 1.00 0.00 H new ATOM 503 N ASP A 163 -3.319 -5.679 4.276 1.00 0.00 N ATOM 504 CA ASP A 163 -4.466 -6.326 4.981 1.00 0.00 C ATOM 505 C ASP A 163 -4.506 -5.831 6.426 1.00 0.00 C ATOM 506 O ASP A 163 -5.535 -5.419 6.924 1.00 0.00 O ATOM 507 CB ASP A 163 -4.285 -7.845 4.962 1.00 0.00 C ATOM 508 CG ASP A 163 -4.948 -8.424 3.710 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.454 -7.645 2.919 1.00 0.00 O ATOM 510 OD2 ASP A 163 -4.937 -9.634 3.565 1.00 0.00 O ATOM 0 H ASP A 163 -2.473 -6.245 4.213 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.400 -6.070 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.224 -8.095 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.726 -8.285 5.856 1.00 0.00 H new ATOM 515 N MET A 164 -3.391 -5.855 7.099 1.00 0.00 N ATOM 516 CA MET A 164 -3.360 -5.374 8.505 1.00 0.00 C ATOM 517 C MET A 164 -3.716 -3.887 8.522 1.00 0.00 C ATOM 518 O MET A 164 -4.162 -3.353 9.518 1.00 0.00 O ATOM 519 CB MET A 164 -1.957 -5.571 9.085 1.00 0.00 C ATOM 520 CG MET A 164 -1.482 -6.996 8.796 1.00 0.00 C ATOM 521 SD MET A 164 -1.667 -8.008 10.286 1.00 0.00 S ATOM 522 CE MET A 164 -2.929 -9.132 9.641 1.00 0.00 C ATOM 0 H MET A 164 -2.498 -6.188 6.734 1.00 0.00 H new ATOM 0 HA MET A 164 -4.076 -5.936 9.105 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.266 -4.850 8.647 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.967 -5.391 10.160 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.061 -7.425 7.978 1.00 0.00 H new ATOM 0 HG3 MET A 164 -0.440 -6.986 8.478 1.00 0.00 H new ATOM 0 HE1 MET A 164 -3.198 -9.856 10.410 1.00 0.00 H new ATOM 0 HE2 MET A 164 -3.812 -8.561 9.355 1.00 0.00 H new ATOM 0 HE3 MET A 164 -2.538 -9.657 8.769 1.00 0.00 H new ATOM 532 N TRP A 165 -3.523 -3.218 7.417 1.00 0.00 N ATOM 533 CA TRP A 165 -3.848 -1.769 7.353 1.00 0.00 C ATOM 534 C TRP A 165 -5.343 -1.603 7.135 1.00 0.00 C ATOM 535 O TRP A 165 -5.923 -0.591 7.475 1.00 0.00 O ATOM 536 CB TRP A 165 -3.105 -1.129 6.186 1.00 0.00 C ATOM 537 CG TRP A 165 -3.485 0.312 6.088 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.451 0.813 5.279 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.929 1.445 6.814 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.501 2.190 5.450 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.588 2.622 6.390 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.920 1.567 7.787 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.260 3.872 6.908 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.588 2.826 8.315 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.258 3.977 7.875 1.00 0.00 C ATOM 0 H TRP A 165 -3.153 -3.617 6.554 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.549 -1.289 8.285 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -2.029 -1.224 6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.349 -1.645 5.258 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.077 0.237 4.613 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.135 2.807 4.943 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.397 0.687 8.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.777 4.755 6.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.813 2.908 9.063 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.999 4.943 8.283 1.00 0.00 H new ATOM 556 N LEU A 166 -5.980 -2.596 6.582 1.00 0.00 N ATOM 557 CA LEU A 166 -7.436 -2.490 6.365 1.00 0.00 C ATOM 558 C LEU A 166 -8.048 -2.086 7.693 1.00 0.00 C ATOM 559 O LEU A 166 -8.627 -1.036 7.812 1.00 0.00 O ATOM 560 CB LEU A 166 -7.992 -3.843 5.906 1.00 0.00 C ATOM 561 CG LEU A 166 -7.946 -3.930 4.378 1.00 0.00 C ATOM 562 CD1 LEU A 166 -8.688 -5.185 3.917 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.616 -2.695 3.772 1.00 0.00 C ATOM 0 H LEU A 166 -5.552 -3.469 6.274 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.671 -1.756 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.409 -4.654 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.017 -3.963 6.256 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.907 -3.977 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -8.656 -5.248 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -8.212 -6.067 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -9.726 -5.136 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.582 -2.759 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.654 -2.646 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.090 -1.798 4.099 1.00 0.00 H new ATOM 575 N GLY A 167 -7.864 -2.911 8.694 1.00 0.00 N ATOM 576 CA GLY A 167 -8.373 -2.608 10.077 1.00 0.00 C ATOM 577 C GLY A 167 -9.454 -1.520 10.056 1.00 0.00 C ATOM 578 O GLY A 167 -9.275 -0.463 10.624 1.00 0.00 O ATOM 0 H GLY A 167 -7.373 -3.801 8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -8.779 -3.516 10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.544 -2.286 10.708 1.00 0.00 H new ATOM 582 N SER A 168 -10.555 -1.766 9.390 1.00 0.00 N ATOM 583 CA SER A 168 -11.653 -0.749 9.307 1.00 0.00 C ATOM 584 C SER A 168 -11.436 0.128 8.071 1.00 0.00 C ATOM 585 O SER A 168 -12.315 0.275 7.246 1.00 0.00 O ATOM 586 CB SER A 168 -11.681 0.126 10.562 1.00 0.00 C ATOM 587 OG SER A 168 -11.385 -0.673 11.700 1.00 0.00 O ATOM 0 H SER A 168 -10.743 -2.637 8.894 1.00 0.00 H new ATOM 0 HA SER A 168 -12.608 -1.269 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 168 -10.955 0.934 10.472 1.00 0.00 H new ATOM 0 HB3 SER A 168 -12.661 0.590 10.674 1.00 0.00 H new ATOM 0 HG SER A 168 -10.461 -0.509 11.984 1.00 0.00 H new ATOM 593 N HIS A 169 -10.271 0.705 7.925 1.00 0.00 N ATOM 594 CA HIS A 169 -10.022 1.555 6.726 1.00 0.00 C ATOM 595 C HIS A 169 -9.907 0.653 5.496 1.00 0.00 C ATOM 596 O HIS A 169 -8.952 -0.082 5.337 1.00 0.00 O ATOM 597 CB HIS A 169 -8.707 2.335 6.898 1.00 0.00 C ATOM 598 CG HIS A 169 -8.790 3.193 8.131 1.00 0.00 C ATOM 599 ND1 HIS A 169 -7.680 3.823 8.669 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.845 3.536 8.940 1.00 0.00 C ATOM 601 CE1 HIS A 169 -8.087 4.507 9.754 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.399 4.366 9.965 1.00 0.00 N ATOM 0 H HIS A 169 -9.490 0.625 8.577 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.845 2.259 6.605 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.869 1.643 6.980 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.523 2.956 6.021 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -10.866 3.211 8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -7.433 5.098 10.378 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.954 4.778 10.715 1.00 0.00 H new ATOM 610 N SER A 170 -10.869 0.720 4.617 1.00 0.00 N ATOM 611 CA SER A 170 -10.818 -0.114 3.384 1.00 0.00 C ATOM 612 C SER A 170 -10.360 0.781 2.240 1.00 0.00 C ATOM 613 O SER A 170 -10.959 0.830 1.185 1.00 0.00 O ATOM 614 CB SER A 170 -12.208 -0.672 3.080 1.00 0.00 C ATOM 615 OG SER A 170 -13.107 0.405 2.847 1.00 0.00 O ATOM 0 H SER A 170 -11.691 1.319 4.700 1.00 0.00 H new ATOM 0 HA SER A 170 -10.131 -0.950 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.168 -1.323 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.559 -1.280 3.914 1.00 0.00 H new ATOM 0 HG SER A 170 -13.999 0.050 2.650 1.00 0.00 H new ATOM 621 N THR A 171 -9.310 1.516 2.468 1.00 0.00 N ATOM 622 CA THR A 171 -8.804 2.448 1.432 1.00 0.00 C ATOM 623 C THR A 171 -7.283 2.354 1.342 1.00 0.00 C ATOM 624 O THR A 171 -6.645 1.571 2.018 1.00 0.00 O ATOM 625 CB THR A 171 -9.194 3.880 1.809 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.704 4.173 3.110 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.716 4.017 1.792 1.00 0.00 C ATOM 0 H THR A 171 -8.777 1.509 3.338 1.00 0.00 H new ATOM 0 HA THR A 171 -9.239 2.182 0.469 1.00 0.00 H new ATOM 0 HB THR A 171 -8.762 4.577 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 171 -8.951 5.090 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.993 5.037 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.091 3.790 0.794 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.152 3.322 2.510 1.00 0.00 H new ATOM 635 N CYS A 172 -6.710 3.167 0.510 1.00 0.00 N ATOM 636 CA CYS A 172 -5.234 3.183 0.336 1.00 0.00 C ATOM 637 C CYS A 172 -4.616 3.765 1.617 1.00 0.00 C ATOM 638 O CYS A 172 -5.091 4.762 2.124 1.00 0.00 O ATOM 639 CB CYS A 172 -4.961 4.102 -0.852 1.00 0.00 C ATOM 640 SG CYS A 172 -3.257 3.992 -1.425 1.00 0.00 S ATOM 0 H CYS A 172 -7.212 3.838 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.813 2.193 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.634 3.844 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.181 5.132 -0.570 1.00 0.00 H new ATOM 645 N PRO A 173 -3.603 3.109 2.129 1.00 0.00 N ATOM 646 CA PRO A 173 -2.944 3.528 3.383 1.00 0.00 C ATOM 647 C PRO A 173 -2.054 4.749 3.221 1.00 0.00 C ATOM 648 O PRO A 173 -1.726 5.401 4.192 1.00 0.00 O ATOM 649 CB PRO A 173 -2.084 2.328 3.765 1.00 0.00 C ATOM 650 CG PRO A 173 -1.863 1.517 2.472 1.00 0.00 C ATOM 651 CD PRO A 173 -3.008 1.898 1.516 1.00 0.00 C ATOM 0 HA PRO A 173 -3.688 3.810 4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.133 2.652 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.579 1.722 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.894 1.749 2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.870 0.447 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.637 2.101 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.739 1.094 1.430 1.00 0.00 H new ATOM 659 N LEU A 174 -1.612 5.062 2.045 1.00 0.00 N ATOM 660 CA LEU A 174 -0.708 6.227 1.954 1.00 0.00 C ATOM 661 C LEU A 174 -1.467 7.491 1.547 1.00 0.00 C ATOM 662 O LEU A 174 -1.214 8.559 2.065 1.00 0.00 O ATOM 663 CB LEU A 174 0.404 5.942 0.945 1.00 0.00 C ATOM 664 CG LEU A 174 1.356 7.137 0.882 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.464 6.964 1.924 1.00 0.00 C ATOM 666 CD2 LEU A 174 1.979 7.218 -0.514 1.00 0.00 C ATOM 0 H LEU A 174 -1.827 4.582 1.171 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.274 6.396 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.950 5.044 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.024 5.752 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 174 0.803 8.053 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 174 3.142 7.816 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 174 2.022 6.905 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 174 3.018 6.048 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.658 8.069 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.532 6.301 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.191 7.341 -1.257 1.00 0.00 H new ATOM 678 N CYS A 175 -2.394 7.396 0.638 1.00 0.00 N ATOM 679 CA CYS A 175 -3.142 8.620 0.246 1.00 0.00 C ATOM 680 C CYS A 175 -4.558 8.549 0.839 1.00 0.00 C ATOM 681 O CYS A 175 -5.027 9.505 1.417 1.00 0.00 O ATOM 682 CB CYS A 175 -3.154 8.755 -1.281 1.00 0.00 C ATOM 683 SG CYS A 175 -4.273 7.547 -2.010 1.00 0.00 S ATOM 0 H CYS A 175 -2.663 6.538 0.156 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.656 9.512 0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.464 9.762 -1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.147 8.610 -1.673 1.00 0.00 H new ATOM 688 N ARG A 176 -5.215 7.411 0.713 1.00 0.00 N ATOM 689 CA ARG A 176 -6.591 7.202 1.276 1.00 0.00 C ATOM 690 C ARG A 176 -7.614 7.322 0.163 1.00 0.00 C ATOM 691 O ARG A 176 -8.683 7.875 0.325 1.00 0.00 O ATOM 692 CB ARG A 176 -6.911 8.188 2.404 1.00 0.00 C ATOM 693 CG ARG A 176 -5.872 8.033 3.521 1.00 0.00 C ATOM 694 CD ARG A 176 -6.127 9.078 4.607 1.00 0.00 C ATOM 695 NE ARG A 176 -5.775 10.429 4.090 1.00 0.00 N ATOM 696 CZ ARG A 176 -6.301 11.493 4.633 1.00 0.00 C ATOM 697 NH1 ARG A 176 -6.461 11.553 5.927 1.00 0.00 N ATOM 698 NH2 ARG A 176 -6.666 12.496 3.883 1.00 0.00 N ATOM 0 H ARG A 176 -4.839 6.596 0.228 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.629 6.202 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -6.903 9.209 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -7.912 8.001 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.927 7.031 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -4.867 8.152 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -7.174 9.055 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -5.533 8.850 5.492 1.00 0.00 H new ATOM 0 HE ARG A 176 -5.123 10.523 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -6.175 10.769 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -6.872 12.384 6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -6.540 12.449 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -7.077 13.327 4.308 1.00 0.00 H new ATOM 712 N LEU A 177 -7.290 6.767 -0.964 1.00 0.00 N ATOM 713 CA LEU A 177 -8.214 6.786 -2.110 1.00 0.00 C ATOM 714 C LEU A 177 -9.017 5.481 -2.081 1.00 0.00 C ATOM 715 O LEU A 177 -8.626 4.490 -2.665 1.00 0.00 O ATOM 716 CB LEU A 177 -7.392 6.871 -3.395 1.00 0.00 C ATOM 717 CG LEU A 177 -6.814 8.280 -3.544 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.661 8.259 -4.549 1.00 0.00 C ATOM 719 CD2 LEU A 177 -7.905 9.223 -4.054 1.00 0.00 C ATOM 0 H LEU A 177 -6.404 6.292 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.891 7.639 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.586 6.137 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.017 6.631 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.449 8.624 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.251 9.264 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.882 7.584 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.027 7.914 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.496 10.228 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.266 8.873 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.731 9.241 -3.344 1.00 0.00 H new ATOM 731 N THR A 178 -10.123 5.468 -1.388 1.00 0.00 N ATOM 732 CA THR A 178 -10.937 4.219 -1.301 1.00 0.00 C ATOM 733 C THR A 178 -11.007 3.530 -2.660 1.00 0.00 C ATOM 734 O THR A 178 -10.955 4.156 -3.696 1.00 0.00 O ATOM 735 CB THR A 178 -12.356 4.545 -0.832 1.00 0.00 C ATOM 736 OG1 THR A 178 -13.265 3.616 -1.405 1.00 0.00 O ATOM 737 CG2 THR A 178 -12.734 5.966 -1.254 1.00 0.00 C ATOM 0 H THR A 178 -10.499 6.267 -0.878 1.00 0.00 H new ATOM 0 HA THR A 178 -10.459 3.552 -0.584 1.00 0.00 H new ATOM 0 HB THR A 178 -12.401 4.477 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 178 -13.722 4.032 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 178 -13.746 6.189 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 178 -12.037 6.676 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 178 -12.688 6.047 -2.340 1.00 0.00 H new ATOM 745 N VAL A 179 -11.134 2.237 -2.653 1.00 0.00 N ATOM 746 CA VAL A 179 -11.216 1.489 -3.938 1.00 0.00 C ATOM 747 C VAL A 179 -12.676 1.118 -4.209 1.00 0.00 C ATOM 748 O VAL A 179 -13.116 1.071 -5.340 1.00 0.00 O ATOM 749 CB VAL A 179 -10.368 0.217 -3.849 1.00 0.00 C ATOM 750 CG1 VAL A 179 -9.865 -0.160 -5.243 1.00 0.00 C ATOM 751 CG2 VAL A 179 -9.172 0.463 -2.926 1.00 0.00 C ATOM 0 H VAL A 179 -11.185 1.662 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 179 -10.840 2.112 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 179 -10.975 -0.595 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -9.261 -1.065 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -10.716 -0.336 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -9.259 0.653 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -8.569 -0.443 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -8.565 1.276 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -9.529 0.731 -1.932 1.00 0.00 H new ATOM 761 N VAL A 180 -13.431 0.858 -3.175 1.00 0.00 N ATOM 762 CA VAL A 180 -14.857 0.495 -3.362 1.00 0.00 C ATOM 763 C VAL A 180 -15.694 1.771 -3.493 1.00 0.00 C ATOM 764 O VAL A 180 -15.232 2.859 -3.212 1.00 0.00 O ATOM 765 CB VAL A 180 -15.326 -0.301 -2.147 1.00 0.00 C ATOM 766 CG1 VAL A 180 -14.390 -1.490 -1.923 1.00 0.00 C ATOM 767 CG2 VAL A 180 -15.308 0.600 -0.910 1.00 0.00 C ATOM 0 H VAL A 180 -13.115 0.883 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 180 -14.973 -0.105 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 180 -16.339 -0.663 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -14.725 -2.058 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -14.400 -2.132 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -13.377 -1.128 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -15.643 0.033 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -14.294 0.962 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -15.974 1.448 -1.068 1.00 0.00 H new ATOM 777 N VAL A 181 -16.923 1.646 -3.917 1.00 0.00 N ATOM 778 CA VAL A 181 -17.786 2.852 -4.062 1.00 0.00 C ATOM 779 C VAL A 181 -19.044 2.687 -3.206 1.00 0.00 C ATOM 780 O VAL A 181 -20.107 3.068 -3.670 1.00 0.00 O ATOM 781 CB VAL A 181 -18.185 3.019 -5.532 1.00 0.00 C ATOM 782 CG1 VAL A 181 -19.209 1.947 -5.911 1.00 0.00 C ATOM 783 CG2 VAL A 181 -18.799 4.406 -5.738 1.00 0.00 C ATOM 784 OXT VAL A 181 -18.924 2.182 -2.103 1.00 0.00 O ATOM 0 H VAL A 181 -17.365 0.762 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 181 -17.237 3.734 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 181 -17.301 2.914 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -19.492 2.067 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -18.773 0.959 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -20.093 2.050 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -19.083 4.526 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -19.682 4.510 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -18.069 5.170 -5.470 1.00 0.00 H new TER 794 VAL A 181 HETATM 795 ZN ZN A 182 4.811 -3.835 3.795 1.00 0.00 ZN HETATM 796 ZN ZN A 183 -3.037 5.784 -2.848 1.00 0.00 ZN