USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 310 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 Set 1.1: A 134 CYS SG : rot 145:sc= 0.941 USER MOD Set 1.2: A 137 CYS SG : rot -59:sc= -3.17! USER MOD Set 1.3: A 158 HIS : no HD1:sc= -1.67 X(o=-5.1,f=-4.9) USER MOD Set 1.4: A 161 CYS SG : rot -172:sc= -1.22! USER MOD Set 2.1: A 153 CYS SG : rot -152:sc= -0.436 USER MOD Set 2.2: A 155 HIS : no HE2:sc= -1.39 K(o=-13,f=-12) USER MOD Set 2.3: A 172 CYS SG : rot 31:sc= -2.53! USER MOD Set 2.4: A 175 CYS SG : rot -66:sc= -8.77! 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=-0.00257 X(o=-0.0026,f=0) USER MOD Single : A 170 SER OG : rot 62:sc= 0.148 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLU A 133 6.990 3.133 -1.346 1.00 0.00 N ATOM 78 CA GLU A 133 7.416 2.613 -0.017 1.00 0.00 C ATOM 79 C GLU A 133 6.201 2.134 0.776 1.00 0.00 C ATOM 80 O GLU A 133 5.277 2.881 1.035 1.00 0.00 O ATOM 81 CB GLU A 133 8.122 3.720 0.768 1.00 0.00 C ATOM 82 CG GLU A 133 9.624 3.664 0.488 1.00 0.00 C ATOM 83 CD GLU A 133 9.969 4.623 -0.653 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.228 5.572 -0.847 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.969 4.391 -1.313 1.00 0.00 O ATOM 0 HA GLU A 133 8.098 1.777 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.724 4.694 0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.935 3.600 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.182 3.934 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.917 2.648 0.224 1.00 0.00 H new ATOM 92 N CYS A 134 6.208 0.896 1.175 1.00 0.00 N ATOM 93 CA CYS A 134 5.074 0.353 1.970 1.00 0.00 C ATOM 94 C CYS A 134 4.800 1.295 3.143 1.00 0.00 C ATOM 95 O CYS A 134 5.582 1.394 4.066 1.00 0.00 O ATOM 96 CB CYS A 134 5.472 -1.027 2.491 1.00 0.00 C ATOM 97 SG CYS A 134 4.044 -1.899 3.185 1.00 0.00 S ATOM 0 H CYS A 134 6.957 0.231 0.983 1.00 0.00 H new ATOM 0 HA CYS A 134 4.175 0.270 1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.902 -1.615 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.244 -0.923 3.253 1.00 0.00 H new ATOM 0 HG CYS A 134 4.146 -3.170 2.930 1.00 0.00 H new ATOM 102 N ALA A 135 3.704 1.998 3.112 1.00 0.00 N ATOM 103 CA ALA A 135 3.395 2.940 4.224 1.00 0.00 C ATOM 104 C ALA A 135 3.159 2.156 5.515 1.00 0.00 C ATOM 105 O ALA A 135 3.030 2.726 6.581 1.00 0.00 O ATOM 106 CB ALA A 135 2.138 3.740 3.878 1.00 0.00 C ATOM 0 H ALA A 135 3.009 1.962 2.366 1.00 0.00 H new ATOM 0 HA ALA A 135 4.235 3.620 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.911 4.430 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.306 4.303 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.300 3.058 3.736 1.00 0.00 H new ATOM 112 N VAL A 136 3.088 0.855 5.435 1.00 0.00 N ATOM 113 CA VAL A 136 2.847 0.050 6.664 1.00 0.00 C ATOM 114 C VAL A 136 4.168 -0.511 7.208 1.00 0.00 C ATOM 115 O VAL A 136 4.604 -0.142 8.280 1.00 0.00 O ATOM 116 CB VAL A 136 1.905 -1.101 6.330 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.747 -2.002 7.557 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.539 -0.540 5.930 1.00 0.00 C ATOM 0 H VAL A 136 3.186 0.317 4.574 1.00 0.00 H new ATOM 0 HA VAL A 136 2.401 0.690 7.425 1.00 0.00 H new ATOM 0 HB VAL A 136 2.316 -1.681 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.074 -2.825 7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.720 -2.400 7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.334 -1.423 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.136 -1.362 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.127 0.039 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.651 0.103 5.057 1.00 0.00 H new ATOM 128 N CYS A 137 4.814 -1.402 6.493 1.00 0.00 N ATOM 129 CA CYS A 137 6.094 -1.959 7.016 1.00 0.00 C ATOM 130 C CYS A 137 7.281 -1.183 6.434 1.00 0.00 C ATOM 131 O CYS A 137 8.392 -1.273 6.920 1.00 0.00 O ATOM 132 CB CYS A 137 6.225 -3.454 6.678 1.00 0.00 C ATOM 133 SG CYS A 137 6.771 -3.683 4.966 1.00 0.00 S ATOM 0 H CYS A 137 4.514 -1.760 5.586 1.00 0.00 H new ATOM 0 HA CYS A 137 6.093 -1.854 8.101 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.937 -3.924 7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.266 -3.950 6.828 1.00 0.00 H new ATOM 0 HG CYS A 137 5.912 -3.133 4.159 1.00 0.00 H new ATOM 138 N LEU A 138 7.055 -0.424 5.397 1.00 0.00 N ATOM 139 CA LEU A 138 8.168 0.355 4.783 1.00 0.00 C ATOM 140 C LEU A 138 9.242 -0.605 4.270 1.00 0.00 C ATOM 141 O LEU A 138 10.424 -0.356 4.401 1.00 0.00 O ATOM 142 CB LEU A 138 8.774 1.288 5.832 1.00 0.00 C ATOM 143 CG LEU A 138 7.653 2.006 6.584 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.173 2.483 7.942 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.183 3.211 5.767 1.00 0.00 C ATOM 0 H LEU A 138 6.147 -0.309 4.948 1.00 0.00 H new ATOM 0 HA LEU A 138 7.784 0.945 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.388 0.718 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.429 2.016 5.352 1.00 0.00 H new ATOM 0 HG LEU A 138 6.819 1.320 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.374 2.995 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.509 1.625 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.007 3.169 7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.384 3.724 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.017 3.896 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.813 2.872 4.799 1.00 0.00 H new ATOM 157 N ALA A 139 8.840 -1.700 3.687 1.00 0.00 N ATOM 158 CA ALA A 139 9.839 -2.675 3.165 1.00 0.00 C ATOM 159 C ALA A 139 9.911 -2.563 1.640 1.00 0.00 C ATOM 160 O ALA A 139 8.904 -2.543 0.962 1.00 0.00 O ATOM 161 CB ALA A 139 9.419 -4.094 3.553 1.00 0.00 C ATOM 0 H ALA A 139 7.864 -1.962 3.549 1.00 0.00 H new ATOM 0 HA ALA A 139 10.818 -2.457 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.150 -4.807 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.367 -4.174 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.440 -4.313 3.126 1.00 0.00 H new ATOM 167 N GLU A 140 11.096 -2.493 1.098 1.00 0.00 N ATOM 168 CA GLU A 140 11.234 -2.383 -0.382 1.00 0.00 C ATOM 169 C GLU A 140 10.303 -3.393 -1.057 1.00 0.00 C ATOM 170 O GLU A 140 10.228 -4.541 -0.666 1.00 0.00 O ATOM 171 CB GLU A 140 12.681 -2.682 -0.781 1.00 0.00 C ATOM 172 CG GLU A 140 13.262 -1.487 -1.538 1.00 0.00 C ATOM 173 CD GLU A 140 14.606 -1.880 -2.155 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.527 -2.147 -1.401 1.00 0.00 O ATOM 175 OE2 GLU A 140 14.691 -1.907 -3.372 1.00 0.00 O ATOM 0 H GLU A 140 11.975 -2.507 1.616 1.00 0.00 H new ATOM 0 HA GLU A 140 10.968 -1.374 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.278 -2.888 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.720 -3.575 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.571 -1.166 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.393 -0.643 -0.861 1.00 0.00 H new ATOM 182 N LEU A 141 9.593 -2.975 -2.069 1.00 0.00 N ATOM 183 CA LEU A 141 8.669 -3.911 -2.769 1.00 0.00 C ATOM 184 C LEU A 141 9.459 -4.741 -3.783 1.00 0.00 C ATOM 185 O LEU A 141 9.724 -4.305 -4.885 1.00 0.00 O ATOM 186 CB LEU A 141 7.586 -3.112 -3.497 1.00 0.00 C ATOM 187 CG LEU A 141 6.637 -2.487 -2.473 1.00 0.00 C ATOM 188 CD1 LEU A 141 5.889 -1.318 -3.115 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.632 -3.540 -2.004 1.00 0.00 C ATOM 0 H LEU A 141 9.613 -2.026 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 141 8.202 -4.574 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.043 -2.333 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.031 -3.763 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 141 7.210 -2.124 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.213 -0.873 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.605 -0.568 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.315 -1.678 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.955 -3.097 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.059 -3.902 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.165 -4.373 -1.545 1.00 0.00 H new ATOM 201 N GLU A 142 9.838 -5.936 -3.419 1.00 0.00 N ATOM 202 CA GLU A 142 10.612 -6.791 -4.362 1.00 0.00 C ATOM 203 C GLU A 142 9.964 -8.176 -4.447 1.00 0.00 C ATOM 204 O GLU A 142 9.147 -8.541 -3.625 1.00 0.00 O ATOM 205 CB GLU A 142 12.050 -6.932 -3.859 1.00 0.00 C ATOM 206 CG GLU A 142 12.845 -5.677 -4.228 1.00 0.00 C ATOM 207 CD GLU A 142 13.899 -5.405 -3.153 1.00 0.00 C ATOM 208 OE1 GLU A 142 13.955 -6.165 -2.201 1.00 0.00 O ATOM 209 OE2 GLU A 142 14.631 -4.441 -3.302 1.00 0.00 O ATOM 0 H GLU A 142 9.645 -6.356 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 142 10.615 -6.330 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 142 12.056 -7.075 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.516 -7.813 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.325 -5.810 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.174 -4.823 -4.319 1.00 0.00 H new ATOM 216 N ASP A 143 10.324 -8.949 -5.434 1.00 0.00 N ATOM 217 CA ASP A 143 9.730 -10.308 -5.570 1.00 0.00 C ATOM 218 C ASP A 143 9.786 -11.027 -4.220 1.00 0.00 C ATOM 219 O ASP A 143 10.679 -10.808 -3.426 1.00 0.00 O ATOM 220 CB ASP A 143 10.521 -11.110 -6.607 1.00 0.00 C ATOM 221 CG ASP A 143 10.034 -10.750 -8.012 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.545 -9.792 -8.567 1.00 0.00 O ATOM 223 OD2 ASP A 143 9.159 -11.440 -8.508 1.00 0.00 O ATOM 0 H ASP A 143 11.004 -8.698 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 143 8.693 -10.220 -5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.585 -10.895 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.395 -12.178 -6.430 1.00 0.00 H new ATOM 228 N GLY A 144 8.838 -11.883 -3.954 1.00 0.00 N ATOM 229 CA GLY A 144 8.839 -12.613 -2.655 1.00 0.00 C ATOM 230 C GLY A 144 7.547 -12.308 -1.896 1.00 0.00 C ATOM 231 O GLY A 144 7.156 -13.031 -1.001 1.00 0.00 O ATOM 0 H GLY A 144 8.064 -12.108 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.926 -13.686 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.702 -12.315 -2.059 1.00 0.00 H new ATOM 235 N GLU A 145 6.880 -11.242 -2.244 1.00 0.00 N ATOM 236 CA GLU A 145 5.614 -10.892 -1.541 1.00 0.00 C ATOM 237 C GLU A 145 4.522 -10.593 -2.569 1.00 0.00 C ATOM 238 O GLU A 145 4.708 -10.776 -3.757 1.00 0.00 O ATOM 239 CB GLU A 145 5.841 -9.659 -0.664 1.00 0.00 C ATOM 240 CG GLU A 145 6.803 -10.011 0.473 1.00 0.00 C ATOM 241 CD GLU A 145 6.114 -10.971 1.445 1.00 0.00 C ATOM 242 OE1 GLU A 145 5.352 -10.498 2.272 1.00 0.00 O ATOM 243 OE2 GLU A 145 6.358 -12.162 1.344 1.00 0.00 O ATOM 0 H GLU A 145 7.157 -10.598 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 145 5.303 -11.730 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.250 -8.845 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 145 4.892 -9.310 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.706 -10.470 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.111 -9.106 0.996 1.00 0.00 H new ATOM 250 N GLU A 146 3.384 -10.135 -2.125 1.00 0.00 N ATOM 251 CA GLU A 146 2.281 -9.826 -3.079 1.00 0.00 C ATOM 252 C GLU A 146 1.765 -8.409 -2.821 1.00 0.00 C ATOM 253 O GLU A 146 0.826 -8.204 -2.078 1.00 0.00 O ATOM 254 CB GLU A 146 1.142 -10.828 -2.882 1.00 0.00 C ATOM 255 CG GLU A 146 1.619 -12.228 -3.277 1.00 0.00 C ATOM 256 CD GLU A 146 0.773 -12.747 -4.442 1.00 0.00 C ATOM 257 OE1 GLU A 146 -0.434 -12.572 -4.394 1.00 0.00 O ATOM 258 OE2 GLU A 146 1.345 -13.308 -5.360 1.00 0.00 O ATOM 0 H GLU A 146 3.170 -9.961 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 146 2.654 -9.896 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.815 -10.824 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.282 -10.541 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.671 -12.198 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 146 1.539 -12.904 -2.426 1.00 0.00 H new ATOM 265 N ALA A 147 2.369 -7.429 -3.435 1.00 0.00 N ATOM 266 CA ALA A 147 1.915 -6.023 -3.232 1.00 0.00 C ATOM 267 C ALA A 147 0.533 -5.841 -3.858 1.00 0.00 C ATOM 268 O ALA A 147 -0.019 -6.749 -4.447 1.00 0.00 O ATOM 269 CB ALA A 147 2.908 -5.064 -3.892 1.00 0.00 C ATOM 0 H ALA A 147 3.159 -7.541 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 147 1.862 -5.808 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.575 -4.037 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.893 -5.195 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.964 -5.276 -4.960 1.00 0.00 H new ATOM 275 N ARG A 148 -0.033 -4.676 -3.725 1.00 0.00 N ATOM 276 CA ARG A 148 -1.382 -4.430 -4.296 1.00 0.00 C ATOM 277 C ARG A 148 -1.491 -2.958 -4.699 1.00 0.00 C ATOM 278 O ARG A 148 -1.302 -2.069 -3.892 1.00 0.00 O ATOM 279 CB ARG A 148 -2.439 -4.762 -3.237 1.00 0.00 C ATOM 280 CG ARG A 148 -2.189 -6.168 -2.687 1.00 0.00 C ATOM 281 CD ARG A 148 -3.469 -6.696 -2.037 1.00 0.00 C ATOM 282 NE ARG A 148 -4.144 -7.645 -2.967 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.447 -7.702 -3.008 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.128 -6.709 -3.512 1.00 0.00 N ATOM 285 NH2 ARG A 148 -6.069 -8.751 -2.544 1.00 0.00 N ATOM 0 H ARG A 148 0.384 -3.880 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.541 -5.057 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.400 -4.032 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.436 -4.703 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -1.875 -6.834 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.380 -6.146 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.233 -7.197 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.136 -5.868 -1.798 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.588 -8.250 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -5.642 -5.889 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.147 -6.753 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -5.537 -9.526 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -7.088 -8.796 -2.576 1.00 0.00 H new ATOM 299 N PHE A 149 -1.786 -2.692 -5.941 1.00 0.00 N ATOM 300 CA PHE A 149 -1.897 -1.278 -6.397 1.00 0.00 C ATOM 301 C PHE A 149 -3.375 -0.888 -6.489 1.00 0.00 C ATOM 302 O PHE A 149 -4.220 -1.702 -6.804 1.00 0.00 O ATOM 303 CB PHE A 149 -1.244 -1.135 -7.774 1.00 0.00 C ATOM 304 CG PHE A 149 0.144 -1.731 -7.738 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.310 -3.120 -7.743 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.264 -0.892 -7.697 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.596 -3.672 -7.707 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.550 -1.443 -7.661 1.00 0.00 C ATOM 309 CZ PHE A 149 2.716 -2.834 -7.665 1.00 0.00 C ATOM 0 H PHE A 149 -1.955 -3.394 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.392 -0.624 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.848 -1.639 -8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.193 -0.083 -8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.554 -3.767 -7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.136 0.180 -7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.724 -4.744 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.414 -0.796 -7.630 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.708 -3.260 -7.636 1.00 0.00 H new ATOM 319 N LEU A 150 -3.697 0.348 -6.215 1.00 0.00 N ATOM 320 CA LEU A 150 -5.124 0.772 -6.288 1.00 0.00 C ATOM 321 C LEU A 150 -5.382 1.497 -7.614 1.00 0.00 C ATOM 322 O LEU A 150 -4.459 1.949 -8.262 1.00 0.00 O ATOM 323 CB LEU A 150 -5.439 1.700 -5.112 1.00 0.00 C ATOM 324 CG LEU A 150 -4.844 1.122 -3.820 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.547 1.744 -2.615 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.043 -0.398 -3.784 1.00 0.00 C ATOM 0 H LEU A 150 -3.038 1.078 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.768 -0.106 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.029 2.692 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.518 1.815 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.778 1.348 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.126 1.335 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.405 2.825 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.612 1.517 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.618 -0.799 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.108 -0.626 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.545 -0.851 -4.641 1.00 0.00 H new ATOM 338 N PRO A 151 -6.636 1.565 -7.986 1.00 0.00 N ATOM 339 CA PRO A 151 -7.063 2.207 -9.243 1.00 0.00 C ATOM 340 C PRO A 151 -7.074 3.737 -9.121 1.00 0.00 C ATOM 341 O PRO A 151 -6.767 4.440 -10.064 1.00 0.00 O ATOM 342 CB PRO A 151 -8.481 1.669 -9.455 1.00 0.00 C ATOM 343 CG PRO A 151 -8.993 1.221 -8.065 1.00 0.00 C ATOM 344 CD PRO A 151 -7.747 1.008 -7.186 1.00 0.00 C ATOM 0 HA PRO A 151 -6.390 1.987 -10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.128 2.437 -9.878 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.478 0.834 -10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.649 1.976 -7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.574 0.302 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.843 1.520 -6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.590 -0.048 -6.968 1.00 0.00 H new ATOM 352 N ARG A 152 -7.432 4.264 -7.982 1.00 0.00 N ATOM 353 CA ARG A 152 -7.465 5.748 -7.834 1.00 0.00 C ATOM 354 C ARG A 152 -6.065 6.324 -7.995 1.00 0.00 C ATOM 355 O ARG A 152 -5.854 7.325 -8.649 1.00 0.00 O ATOM 356 CB ARG A 152 -7.919 6.123 -6.427 1.00 0.00 C ATOM 357 CG ARG A 152 -9.136 5.313 -5.995 1.00 0.00 C ATOM 358 CD ARG A 152 -9.958 6.140 -4.997 1.00 0.00 C ATOM 359 NE ARG A 152 -11.364 6.252 -5.474 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.921 7.425 -5.595 1.00 0.00 C ATOM 361 NH1 ARG A 152 -12.374 8.044 -4.539 1.00 0.00 N ATOM 362 NH2 ARG A 152 -12.025 7.980 -6.770 1.00 0.00 N ATOM 0 H ARG A 152 -7.702 3.736 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.145 6.139 -8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.103 5.957 -5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.158 7.186 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.744 5.056 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.821 4.375 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -9.934 5.670 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.521 7.133 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 152 -11.892 5.411 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -12.292 7.610 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -12.810 8.961 -4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -11.671 7.497 -7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -12.461 8.897 -6.864 1.00 0.00 H new ATOM 376 N CYS A 153 -5.120 5.721 -7.342 1.00 0.00 N ATOM 377 CA CYS A 153 -3.727 6.246 -7.379 1.00 0.00 C ATOM 378 C CYS A 153 -2.750 5.214 -7.944 1.00 0.00 C ATOM 379 O CYS A 153 -1.969 5.507 -8.827 1.00 0.00 O ATOM 380 CB CYS A 153 -3.314 6.589 -5.947 1.00 0.00 C ATOM 381 SG CYS A 153 -3.881 5.276 -4.827 1.00 0.00 S ATOM 0 H CYS A 153 -5.250 4.880 -6.779 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.698 7.123 -8.025 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.231 6.694 -5.884 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.745 7.546 -5.652 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.086 5.774 -3.644 1.00 0.00 H new ATOM 386 N GLY A 154 -2.762 4.018 -7.427 1.00 0.00 N ATOM 387 CA GLY A 154 -1.809 2.992 -7.918 1.00 0.00 C ATOM 388 C GLY A 154 -0.798 2.680 -6.810 1.00 0.00 C ATOM 389 O GLY A 154 -0.005 1.768 -6.930 1.00 0.00 O ATOM 0 H GLY A 154 -3.391 3.709 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.345 2.087 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.293 3.352 -8.808 1.00 0.00 H new ATOM 393 N HIS A 155 -0.821 3.424 -5.726 1.00 0.00 N ATOM 394 CA HIS A 155 0.141 3.143 -4.617 1.00 0.00 C ATOM 395 C HIS A 155 0.160 1.631 -4.386 1.00 0.00 C ATOM 396 O HIS A 155 -0.874 0.995 -4.336 1.00 0.00 O ATOM 397 CB HIS A 155 -0.305 3.844 -3.324 1.00 0.00 C ATOM 398 CG HIS A 155 -0.077 5.333 -3.414 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.030 6.244 -2.973 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.975 6.076 -3.885 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.526 7.476 -3.191 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.690 7.429 -3.744 1.00 0.00 N ATOM 0 H HIS A 155 -1.458 4.204 -5.565 1.00 0.00 H new ATOM 0 HA HIS A 155 1.130 3.513 -4.886 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.361 3.644 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.247 3.438 -2.476 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -1.937 6.023 -2.563 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.886 5.672 -4.302 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.044 8.392 -2.948 1.00 0.00 H new ATOM 409 N GLY A 156 1.314 1.040 -4.269 1.00 0.00 N ATOM 410 CA GLY A 156 1.359 -0.435 -4.073 1.00 0.00 C ATOM 411 C GLY A 156 1.818 -0.782 -2.654 1.00 0.00 C ATOM 412 O GLY A 156 2.888 -0.404 -2.221 1.00 0.00 O ATOM 0 H GLY A 156 2.220 1.508 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.372 -0.861 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.038 -0.882 -4.799 1.00 0.00 H new ATOM 416 N PHE A 157 1.011 -1.518 -1.939 1.00 0.00 N ATOM 417 CA PHE A 157 1.377 -1.927 -0.553 1.00 0.00 C ATOM 418 C PHE A 157 1.343 -3.446 -0.484 1.00 0.00 C ATOM 419 O PHE A 157 0.658 -4.102 -1.238 1.00 0.00 O ATOM 420 CB PHE A 157 0.366 -1.350 0.436 1.00 0.00 C ATOM 421 CG PHE A 157 0.237 0.129 0.192 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.656 0.604 -0.771 1.00 0.00 C ATOM 423 CD2 PHE A 157 1.018 1.023 0.928 1.00 0.00 C ATOM 424 CE1 PHE A 157 -0.769 1.979 -0.999 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.907 2.400 0.703 1.00 0.00 C ATOM 426 CZ PHE A 157 0.013 2.878 -0.262 1.00 0.00 C ATOM 0 H PHE A 157 0.104 -1.857 -2.260 1.00 0.00 H new ATOM 0 HA PHE A 157 2.370 -1.557 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.601 -1.838 0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.691 -1.536 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.258 -0.090 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.708 0.652 1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.459 2.348 -1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.510 3.092 1.273 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.074 3.940 -0.439 1.00 0.00 H new ATOM 436 N HIS A 158 2.078 -4.007 0.410 1.00 0.00 N ATOM 437 CA HIS A 158 2.104 -5.486 0.528 1.00 0.00 C ATOM 438 C HIS A 158 0.688 -6.028 0.621 1.00 0.00 C ATOM 439 O HIS A 158 -0.217 -5.352 1.050 1.00 0.00 O ATOM 440 CB HIS A 158 2.866 -5.860 1.789 1.00 0.00 C ATOM 441 CG HIS A 158 4.329 -5.923 1.457 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.224 -5.043 2.022 1.00 0.00 N ATOM 443 CD2 HIS A 158 5.051 -6.695 0.582 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.427 -5.285 1.479 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.381 -6.288 0.596 1.00 0.00 N ATOM 0 H HIS A 158 2.670 -3.508 1.074 1.00 0.00 H new ATOM 0 HA HIS A 158 2.589 -5.912 -0.350 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.686 -5.124 2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.522 -6.822 2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.649 -7.494 -0.023 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.324 -4.736 1.725 1.00 0.00 H new ATOM 0 HE2 HIS A 158 7.153 -6.671 0.051 1.00 0.00 H new ATOM 452 N ALA A 159 0.490 -7.256 0.251 1.00 0.00 N ATOM 453 CA ALA A 159 -0.870 -7.831 0.366 1.00 0.00 C ATOM 454 C ALA A 159 -1.102 -8.115 1.848 1.00 0.00 C ATOM 455 O ALA A 159 -2.217 -8.133 2.333 1.00 0.00 O ATOM 456 CB ALA A 159 -0.953 -9.134 -0.433 1.00 0.00 C ATOM 0 H ALA A 159 1.204 -7.881 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.622 -7.146 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.956 -9.552 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.735 -8.932 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.227 -9.847 -0.043 1.00 0.00 H new ATOM 462 N GLU A 160 -0.029 -8.327 2.571 1.00 0.00 N ATOM 463 CA GLU A 160 -0.132 -8.602 4.029 1.00 0.00 C ATOM 464 C GLU A 160 -0.226 -7.281 4.799 1.00 0.00 C ATOM 465 O GLU A 160 -1.132 -7.082 5.582 1.00 0.00 O ATOM 466 CB GLU A 160 1.107 -9.374 4.489 1.00 0.00 C ATOM 467 CG GLU A 160 1.257 -10.643 3.649 1.00 0.00 C ATOM 468 CD GLU A 160 0.974 -11.869 4.519 1.00 0.00 C ATOM 469 OE1 GLU A 160 1.716 -12.086 5.462 1.00 0.00 O ATOM 470 OE2 GLU A 160 0.017 -12.570 4.229 1.00 0.00 O ATOM 0 H GLU A 160 0.923 -8.320 2.204 1.00 0.00 H new ATOM 0 HA GLU A 160 -1.026 -9.195 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.995 -8.751 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.017 -9.632 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.568 -10.616 2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.264 -10.702 3.237 1.00 0.00 H new ATOM 477 N CYS A 161 0.695 -6.371 4.590 1.00 0.00 N ATOM 478 CA CYS A 161 0.624 -5.077 5.326 1.00 0.00 C ATOM 479 C CYS A 161 -0.639 -4.339 4.904 1.00 0.00 C ATOM 480 O CYS A 161 -1.333 -3.762 5.711 1.00 0.00 O ATOM 481 CB CYS A 161 1.830 -4.194 4.998 1.00 0.00 C ATOM 482 SG CYS A 161 3.352 -5.142 5.046 1.00 0.00 S ATOM 0 H CYS A 161 1.482 -6.469 3.949 1.00 0.00 H new ATOM 0 HA CYS A 161 0.617 -5.287 6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.704 -3.752 4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.887 -3.371 5.710 1.00 0.00 H new ATOM 0 HG CYS A 161 4.368 -4.338 4.937 1.00 0.00 H new ATOM 487 N VAL A 162 -0.931 -4.345 3.635 1.00 0.00 N ATOM 488 CA VAL A 162 -2.149 -3.633 3.150 1.00 0.00 C ATOM 489 C VAL A 162 -3.398 -4.235 3.807 1.00 0.00 C ATOM 490 O VAL A 162 -4.384 -3.559 4.021 1.00 0.00 O ATOM 491 CB VAL A 162 -2.255 -3.760 1.624 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.761 -5.157 1.254 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.239 -2.712 1.099 1.00 0.00 C ATOM 0 H VAL A 162 -0.382 -4.810 2.912 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.075 -2.579 3.417 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.272 -3.603 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.835 -5.242 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.066 -5.907 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.743 -5.318 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.318 -2.798 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.219 -2.875 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -2.882 -1.715 1.359 1.00 0.00 H new ATOM 503 N ASP A 163 -3.365 -5.502 4.127 1.00 0.00 N ATOM 504 CA ASP A 163 -4.552 -6.142 4.767 1.00 0.00 C ATOM 505 C ASP A 163 -4.625 -5.727 6.238 1.00 0.00 C ATOM 506 O ASP A 163 -5.665 -5.341 6.733 1.00 0.00 O ATOM 507 CB ASP A 163 -4.423 -7.665 4.672 1.00 0.00 C ATOM 508 CG ASP A 163 -5.077 -8.153 3.378 1.00 0.00 C ATOM 509 OD1 ASP A 163 -6.051 -7.545 2.963 1.00 0.00 O ATOM 510 OD2 ASP A 163 -4.594 -9.127 2.825 1.00 0.00 O ATOM 0 H ASP A 163 -2.569 -6.121 3.973 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.459 -5.821 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.372 -7.953 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.899 -8.135 5.532 1.00 0.00 H new ATOM 515 N MET A 164 -3.528 -5.797 6.940 1.00 0.00 N ATOM 516 CA MET A 164 -3.534 -5.398 8.374 1.00 0.00 C ATOM 517 C MET A 164 -3.810 -3.898 8.466 1.00 0.00 C ATOM 518 O MET A 164 -4.283 -3.400 9.468 1.00 0.00 O ATOM 519 CB MET A 164 -2.174 -5.709 8.999 1.00 0.00 C ATOM 520 CG MET A 164 -1.942 -7.221 8.987 1.00 0.00 C ATOM 521 SD MET A 164 -0.177 -7.563 9.198 1.00 0.00 S ATOM 522 CE MET A 164 -0.309 -9.365 9.296 1.00 0.00 C ATOM 0 H MET A 164 -2.627 -6.114 6.582 1.00 0.00 H new ATOM 0 HA MET A 164 -4.306 -5.951 8.909 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.383 -5.204 8.444 1.00 0.00 H new ATOM 0 HB3 MET A 164 -2.137 -5.333 10.021 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.513 -7.694 9.786 1.00 0.00 H new ATOM 0 HG3 MET A 164 -2.296 -7.646 8.048 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.683 -9.796 9.429 1.00 0.00 H new ATOM 0 HE2 MET A 164 -0.940 -9.638 10.142 1.00 0.00 H new ATOM 0 HE3 MET A 164 -0.750 -9.748 8.376 1.00 0.00 H new ATOM 532 N TRP A 165 -3.520 -3.177 7.418 1.00 0.00 N ATOM 533 CA TRP A 165 -3.767 -1.712 7.426 1.00 0.00 C ATOM 534 C TRP A 165 -5.254 -1.463 7.241 1.00 0.00 C ATOM 535 O TRP A 165 -5.767 -0.411 7.568 1.00 0.00 O ATOM 536 CB TRP A 165 -3.012 -1.056 6.272 1.00 0.00 C ATOM 537 CG TRP A 165 -3.375 0.394 6.210 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.365 0.923 5.445 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.774 1.506 6.930 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.391 2.296 5.644 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.434 2.699 6.553 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.726 1.596 7.864 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.067 3.933 7.081 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.355 2.840 8.400 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.025 4.006 8.008 1.00 0.00 C ATOM 0 H TRP A 165 -3.121 -3.543 6.554 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.426 -1.291 8.372 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.937 -1.169 6.414 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.263 -1.547 5.332 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.022 0.368 4.791 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.038 2.930 5.176 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.203 0.702 8.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.585 4.830 6.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.550 2.898 9.117 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.736 4.961 8.422 1.00 0.00 H new ATOM 556 N LEU A 166 -5.955 -2.427 6.719 1.00 0.00 N ATOM 557 CA LEU A 166 -7.404 -2.249 6.517 1.00 0.00 C ATOM 558 C LEU A 166 -8.063 -2.201 7.885 1.00 0.00 C ATOM 559 O LEU A 166 -8.459 -1.155 8.340 1.00 0.00 O ATOM 560 CB LEU A 166 -7.945 -3.438 5.719 1.00 0.00 C ATOM 561 CG LEU A 166 -7.682 -3.211 4.231 1.00 0.00 C ATOM 562 CD1 LEU A 166 -8.076 -4.462 3.443 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.516 -2.024 3.752 1.00 0.00 C ATOM 0 H LEU A 166 -5.581 -3.329 6.425 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.612 -1.330 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.465 -4.360 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.014 -3.554 5.897 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.623 -3.006 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.888 -4.298 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -7.486 -5.311 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -9.135 -4.670 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.334 -1.856 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.574 -2.235 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.237 -1.133 4.314 1.00 0.00 H new ATOM 575 N GLY A 167 -8.128 -3.333 8.539 1.00 0.00 N ATOM 576 CA GLY A 167 -8.730 -3.430 9.914 1.00 0.00 C ATOM 577 C GLY A 167 -9.651 -2.237 10.212 1.00 0.00 C ATOM 578 O GLY A 167 -9.606 -1.683 11.291 1.00 0.00 O ATOM 0 H GLY A 167 -7.781 -4.219 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.296 -4.358 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.935 -3.472 10.658 1.00 0.00 H new ATOM 582 N SER A 168 -10.469 -1.850 9.254 1.00 0.00 N ATOM 583 CA SER A 168 -11.407 -0.686 9.422 1.00 0.00 C ATOM 584 C SER A 168 -11.324 0.195 8.172 1.00 0.00 C ATOM 585 O SER A 168 -12.287 0.356 7.449 1.00 0.00 O ATOM 586 CB SER A 168 -11.038 0.161 10.642 1.00 0.00 C ATOM 587 OG SER A 168 -11.717 1.408 10.572 1.00 0.00 O ATOM 0 H SER A 168 -10.526 -2.303 8.342 1.00 0.00 H new ATOM 0 HA SER A 168 -12.415 -1.075 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.310 -0.363 11.558 1.00 0.00 H new ATOM 0 HB3 SER A 168 -9.960 0.322 10.675 1.00 0.00 H new ATOM 0 HG SER A 168 -11.484 1.952 11.353 1.00 0.00 H new ATOM 593 N HIS A 169 -10.176 0.771 7.912 1.00 0.00 N ATOM 594 CA HIS A 169 -10.035 1.643 6.710 1.00 0.00 C ATOM 595 C HIS A 169 -10.027 0.777 5.449 1.00 0.00 C ATOM 596 O HIS A 169 -9.093 0.044 5.191 1.00 0.00 O ATOM 597 CB HIS A 169 -8.713 2.423 6.791 1.00 0.00 C ATOM 598 CG HIS A 169 -8.798 3.439 7.896 1.00 0.00 C ATOM 599 ND1 HIS A 169 -7.916 3.444 8.966 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.654 4.490 8.113 1.00 0.00 C ATOM 601 CE1 HIS A 169 -8.259 4.468 9.770 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.312 5.138 9.295 1.00 0.00 N ATOM 0 H HIS A 169 -9.334 0.674 8.480 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.871 2.341 6.673 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.885 1.738 6.975 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.512 2.919 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -10.470 4.771 7.464 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -7.745 4.717 10.687 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.768 5.951 9.710 1.00 0.00 H new ATOM 610 N SER A 170 -11.056 0.874 4.651 1.00 0.00 N ATOM 611 CA SER A 170 -11.108 0.076 3.394 1.00 0.00 C ATOM 612 C SER A 170 -10.582 0.949 2.260 1.00 0.00 C ATOM 613 O SER A 170 -11.201 1.086 1.223 1.00 0.00 O ATOM 614 CB SER A 170 -12.553 -0.330 3.104 1.00 0.00 C ATOM 615 OG SER A 170 -13.333 0.837 2.877 1.00 0.00 O ATOM 0 H SER A 170 -11.865 1.473 4.817 1.00 0.00 H new ATOM 0 HA SER A 170 -10.503 -0.826 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.591 -0.982 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.959 -0.895 3.943 1.00 0.00 H new ATOM 0 HG SER A 170 -12.985 1.316 2.096 1.00 0.00 H new ATOM 621 N THR A 171 -9.454 1.566 2.467 1.00 0.00 N ATOM 622 CA THR A 171 -8.891 2.463 1.426 1.00 0.00 C ATOM 623 C THR A 171 -7.363 2.360 1.397 1.00 0.00 C ATOM 624 O THR A 171 -6.755 1.585 2.108 1.00 0.00 O ATOM 625 CB THR A 171 -9.295 3.907 1.731 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.997 4.203 3.089 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.793 4.083 1.484 1.00 0.00 C ATOM 0 H THR A 171 -8.896 1.486 3.317 1.00 0.00 H new ATOM 0 HA THR A 171 -9.282 2.163 0.454 1.00 0.00 H new ATOM 0 HB THR A 171 -8.741 4.585 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.253 5.128 3.286 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.079 5.112 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.019 3.856 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.351 3.407 2.132 1.00 0.00 H new ATOM 635 N CYS A 172 -6.758 3.155 0.565 1.00 0.00 N ATOM 636 CA CYS A 172 -5.274 3.173 0.424 1.00 0.00 C ATOM 637 C CYS A 172 -4.667 3.778 1.701 1.00 0.00 C ATOM 638 O CYS A 172 -5.163 4.765 2.204 1.00 0.00 O ATOM 639 CB CYS A 172 -4.993 4.083 -0.770 1.00 0.00 C ATOM 640 SG CYS A 172 -3.296 3.957 -1.360 1.00 0.00 S ATOM 0 H CYS A 172 -7.244 3.814 -0.043 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.850 2.179 0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.675 3.830 -1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.200 5.116 -0.490 1.00 0.00 H new ATOM 0 HG CYS A 172 -2.848 2.757 -1.139 1.00 0.00 H new ATOM 645 N PRO A 173 -3.629 3.157 2.211 1.00 0.00 N ATOM 646 CA PRO A 173 -2.972 3.613 3.454 1.00 0.00 C ATOM 647 C PRO A 173 -2.124 4.862 3.277 1.00 0.00 C ATOM 648 O PRO A 173 -1.922 5.606 4.218 1.00 0.00 O ATOM 649 CB PRO A 173 -2.070 2.446 3.840 1.00 0.00 C ATOM 650 CG PRO A 173 -1.836 1.627 2.554 1.00 0.00 C ATOM 651 CD PRO A 173 -3.007 1.954 1.610 1.00 0.00 C ATOM 0 HA PRO A 173 -3.720 3.880 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.125 2.805 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.538 1.833 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.883 1.889 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.801 0.560 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.659 2.149 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.714 1.127 1.550 1.00 0.00 H new ATOM 659 N LEU A 174 -1.572 5.098 2.130 1.00 0.00 N ATOM 660 CA LEU A 174 -0.703 6.290 2.024 1.00 0.00 C ATOM 661 C LEU A 174 -1.498 7.532 1.622 1.00 0.00 C ATOM 662 O LEU A 174 -1.265 8.609 2.134 1.00 0.00 O ATOM 663 CB LEU A 174 0.400 6.030 0.997 1.00 0.00 C ATOM 664 CG LEU A 174 1.505 7.074 1.155 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.342 6.749 2.392 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.402 7.056 -0.085 1.00 0.00 C ATOM 0 H LEU A 174 -1.679 4.537 1.285 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.264 6.476 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.809 5.029 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.011 6.071 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 174 1.058 8.062 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 174 3.130 7.494 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.704 6.759 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.790 5.762 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 174 3.191 7.800 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.848 6.068 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.807 7.287 -0.968 1.00 0.00 H new ATOM 678 N CYS A 175 -2.429 7.413 0.722 1.00 0.00 N ATOM 679 CA CYS A 175 -3.206 8.619 0.329 1.00 0.00 C ATOM 680 C CYS A 175 -4.626 8.522 0.910 1.00 0.00 C ATOM 681 O CYS A 175 -5.130 9.478 1.460 1.00 0.00 O ATOM 682 CB CYS A 175 -3.215 8.747 -1.195 1.00 0.00 C ATOM 683 SG CYS A 175 -4.317 7.519 -1.912 1.00 0.00 S ATOM 0 H CYS A 175 -2.684 6.547 0.247 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.742 9.519 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.538 9.748 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.206 8.613 -1.585 1.00 0.00 H new ATOM 0 HG CYS A 175 -3.840 6.329 -1.695 1.00 0.00 H new ATOM 688 N ARG A 176 -5.250 7.364 0.799 1.00 0.00 N ATOM 689 CA ARG A 176 -6.631 7.127 1.343 1.00 0.00 C ATOM 690 C ARG A 176 -7.641 7.177 0.210 1.00 0.00 C ATOM 691 O ARG A 176 -8.769 7.602 0.371 1.00 0.00 O ATOM 692 CB ARG A 176 -6.998 8.129 2.440 1.00 0.00 C ATOM 693 CG ARG A 176 -5.985 8.006 3.583 1.00 0.00 C ATOM 694 CD ARG A 176 -6.496 8.772 4.805 1.00 0.00 C ATOM 695 NE ARG A 176 -5.566 8.560 5.949 1.00 0.00 N ATOM 696 CZ ARG A 176 -5.843 9.071 7.117 1.00 0.00 C ATOM 697 NH1 ARG A 176 -6.078 10.349 7.232 1.00 0.00 N ATOM 698 NH2 ARG A 176 -5.885 8.304 8.172 1.00 0.00 N ATOM 0 H ARG A 176 -4.843 6.550 0.339 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.647 6.138 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -6.995 9.143 2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.006 7.934 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.833 6.957 3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.019 8.402 3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -6.571 9.835 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -7.497 8.431 5.069 1.00 0.00 H new ATOM 0 HE ARG A 176 -4.713 8.016 5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -6.045 10.950 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -6.294 10.748 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -5.701 7.305 8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -6.102 8.704 9.085 1.00 0.00 H new ATOM 712 N LEU A 177 -7.240 6.700 -0.929 1.00 0.00 N ATOM 713 CA LEU A 177 -8.143 6.651 -2.092 1.00 0.00 C ATOM 714 C LEU A 177 -8.810 5.272 -2.104 1.00 0.00 C ATOM 715 O LEU A 177 -8.185 4.280 -2.424 1.00 0.00 O ATOM 716 CB LEU A 177 -7.316 6.829 -3.363 1.00 0.00 C ATOM 717 CG LEU A 177 -6.814 8.270 -3.463 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.638 8.331 -4.436 1.00 0.00 C ATOM 719 CD2 LEU A 177 -7.939 9.166 -3.981 1.00 0.00 C ATOM 0 H LEU A 177 -6.303 6.335 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.896 7.437 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.471 6.141 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -7.920 6.584 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.496 8.612 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.279 9.358 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.834 7.690 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.961 7.989 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.582 10.193 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.254 8.822 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.784 9.123 -3.294 1.00 0.00 H new