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 168 SER OG : rot -74:sc= 0.297 USER MOD Set 1.2: A 169 HIS : no HD1:sc= 0.356 K(o=0.65,f=-2.8!) USER MOD Set 2.1: A 134 CYS SG : rot 145:sc= 0.954 USER MOD Set 2.2: A 137 CYS SG : rot -59:sc= -1.41! USER MOD Set 2.3: A 158 HIS : no HD1:sc= -2.26! C(o=-4!,f=-6!) USER MOD Set 2.4: A 161 CYS SG : rot -172:sc= -1.29 USER MOD Set 3.1: A 153 CYS SG : rot -151:sc= -0.688 USER MOD Set 3.2: A 155 HIS :FLIP no HE2:sc= -0.391 F(o=-12,f=-11) USER MOD Set 3.3: A 172 CYS SG : rot 41:sc= -2.09! USER MOD Set 3.4: A 175 CYS SG : rot -65:sc= -8.27! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=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 ----------------------------------------------------------------- ATOM 77 N GLU A 133 7.161 3.240 -1.421 1.00 0.00 N ATOM 78 CA GLU A 133 7.511 2.821 -0.034 1.00 0.00 C ATOM 79 C GLU A 133 6.262 2.358 0.713 1.00 0.00 C ATOM 80 O GLU A 133 5.310 3.094 0.882 1.00 0.00 O ATOM 81 CB GLU A 133 8.142 3.992 0.719 1.00 0.00 C ATOM 82 CG GLU A 133 9.659 3.950 0.547 1.00 0.00 C ATOM 83 CD GLU A 133 10.051 4.687 -0.735 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.188 4.867 -1.578 1.00 0.00 O ATOM 85 OE2 GLU A 133 11.208 5.059 -0.851 1.00 0.00 O ATOM 0 HA GLU A 133 8.221 1.996 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.748 4.936 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.884 3.940 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.145 4.411 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.002 2.916 0.503 1.00 0.00 H new ATOM 92 N CYS A 134 6.275 1.141 1.175 1.00 0.00 N ATOM 93 CA CYS A 134 5.113 0.604 1.935 1.00 0.00 C ATOM 94 C CYS A 134 4.837 1.525 3.124 1.00 0.00 C ATOM 95 O CYS A 134 5.609 1.594 4.059 1.00 0.00 O ATOM 96 CB CYS A 134 5.480 -0.789 2.438 1.00 0.00 C ATOM 97 SG CYS A 134 4.025 -1.668 3.067 1.00 0.00 S ATOM 0 H CYS A 134 7.049 0.488 1.058 1.00 0.00 H new ATOM 0 HA CYS A 134 4.225 0.551 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.932 -1.363 1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.227 -0.708 3.227 1.00 0.00 H new ATOM 0 HG CYS A 134 4.131 -2.934 2.793 1.00 0.00 H new ATOM 102 N ALA A 135 3.748 2.240 3.097 1.00 0.00 N ATOM 103 CA ALA A 135 3.438 3.157 4.227 1.00 0.00 C ATOM 104 C ALA A 135 3.177 2.344 5.495 1.00 0.00 C ATOM 105 O ALA A 135 3.039 2.888 6.573 1.00 0.00 O ATOM 106 CB ALA A 135 2.197 3.985 3.887 1.00 0.00 C ATOM 0 H ALA A 135 3.061 2.229 2.343 1.00 0.00 H new ATOM 0 HA ALA A 135 4.285 3.822 4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.970 4.657 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.385 4.570 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.351 3.319 3.717 1.00 0.00 H new ATOM 112 N VAL A 136 3.097 1.045 5.379 1.00 0.00 N ATOM 113 CA VAL A 136 2.832 0.214 6.585 1.00 0.00 C ATOM 114 C VAL A 136 4.137 -0.372 7.137 1.00 0.00 C ATOM 115 O VAL A 136 4.554 -0.035 8.227 1.00 0.00 O ATOM 116 CB VAL A 136 1.883 -0.919 6.219 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.699 -1.836 7.431 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.528 -0.335 5.813 1.00 0.00 C ATOM 0 H VAL A 136 3.203 0.528 4.506 1.00 0.00 H new ATOM 0 HA VAL A 136 2.382 0.844 7.352 1.00 0.00 H new ATOM 0 HB VAL A 136 2.297 -1.490 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.020 -2.649 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.664 -2.249 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.282 -1.264 8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.153 -1.144 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.113 0.233 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.658 0.323 4.954 1.00 0.00 H new ATOM 128 N CYS A 137 4.792 -1.251 6.414 1.00 0.00 N ATOM 129 CA CYS A 137 6.055 -1.827 6.960 1.00 0.00 C ATOM 130 C CYS A 137 7.260 -1.009 6.480 1.00 0.00 C ATOM 131 O CYS A 137 8.335 -1.087 7.041 1.00 0.00 O ATOM 132 CB CYS A 137 6.224 -3.298 6.551 1.00 0.00 C ATOM 133 SG CYS A 137 6.758 -3.428 4.827 1.00 0.00 S ATOM 0 H CYS A 137 4.513 -1.586 5.492 1.00 0.00 H new ATOM 0 HA CYS A 137 5.998 -1.783 8.048 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.956 -3.779 7.200 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.281 -3.828 6.685 1.00 0.00 H new ATOM 0 HG CYS A 137 5.876 -2.865 4.056 1.00 0.00 H new ATOM 138 N LEU A 138 7.090 -0.222 5.452 1.00 0.00 N ATOM 139 CA LEU A 138 8.228 0.600 4.947 1.00 0.00 C ATOM 140 C LEU A 138 9.369 -0.322 4.517 1.00 0.00 C ATOM 141 O LEU A 138 10.528 -0.041 4.748 1.00 0.00 O ATOM 142 CB LEU A 138 8.720 1.530 6.060 1.00 0.00 C ATOM 143 CG LEU A 138 7.521 2.134 6.794 1.00 0.00 C ATOM 144 CD1 LEU A 138 7.960 2.613 8.178 1.00 0.00 C ATOM 145 CD2 LEU A 138 6.979 3.319 5.992 1.00 0.00 C ATOM 0 H LEU A 138 6.214 -0.113 4.941 1.00 0.00 H new ATOM 0 HA LEU A 138 7.897 1.194 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.346 0.976 6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.338 2.323 5.638 1.00 0.00 H new ATOM 0 HG LEU A 138 6.741 1.380 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.106 3.043 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.348 1.769 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.739 3.368 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.125 3.751 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 138 7.758 4.073 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.667 2.978 5.005 1.00 0.00 H new ATOM 157 N ALA A 139 9.050 -1.422 3.893 1.00 0.00 N ATOM 158 CA ALA A 139 10.117 -2.360 3.449 1.00 0.00 C ATOM 159 C ALA A 139 10.183 -2.373 1.921 1.00 0.00 C ATOM 160 O ALA A 139 9.184 -2.529 1.247 1.00 0.00 O ATOM 161 CB ALA A 139 9.802 -3.769 3.957 1.00 0.00 C ATOM 0 H ALA A 139 8.097 -1.711 3.672 1.00 0.00 H new ATOM 0 HA ALA A 139 11.076 -2.034 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.583 -4.456 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.756 -3.761 5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.842 -4.095 3.555 1.00 0.00 H new ATOM 167 N GLU A 140 11.353 -2.211 1.369 1.00 0.00 N ATOM 168 CA GLU A 140 11.485 -2.213 -0.115 1.00 0.00 C ATOM 169 C GLU A 140 10.681 -3.379 -0.694 1.00 0.00 C ATOM 170 O GLU A 140 10.928 -4.529 -0.387 1.00 0.00 O ATOM 171 CB GLU A 140 12.959 -2.368 -0.494 1.00 0.00 C ATOM 172 CG GLU A 140 13.580 -3.503 0.322 1.00 0.00 C ATOM 173 CD GLU A 140 15.065 -3.218 0.547 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.737 -2.882 -0.414 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.507 -3.343 1.678 1.00 0.00 O ATOM 0 H GLU A 140 12.225 -2.077 1.882 1.00 0.00 H new ATOM 0 HA GLU A 140 11.104 -1.274 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.051 -2.579 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.493 -1.437 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.068 -3.598 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.456 -4.451 -0.201 1.00 0.00 H new ATOM 182 N LEU A 141 9.719 -3.094 -1.528 1.00 0.00 N ATOM 183 CA LEU A 141 8.900 -4.188 -2.122 1.00 0.00 C ATOM 184 C LEU A 141 9.816 -5.154 -2.877 1.00 0.00 C ATOM 185 O LEU A 141 10.157 -4.935 -4.023 1.00 0.00 O ATOM 186 CB LEU A 141 7.877 -3.592 -3.092 1.00 0.00 C ATOM 187 CG LEU A 141 6.754 -2.918 -2.302 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.168 -1.769 -3.124 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.657 -3.941 -2.004 1.00 0.00 C ATOM 0 H LEU A 141 9.465 -2.151 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 141 8.378 -4.724 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.361 -2.867 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.467 -4.375 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 141 7.153 -2.528 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.368 -1.289 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.949 -1.039 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.769 -2.158 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.856 -3.462 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.259 -4.331 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.073 -4.760 -1.418 1.00 0.00 H new ATOM 201 N GLU A 142 10.217 -6.220 -2.243 1.00 0.00 N ATOM 202 CA GLU A 142 11.111 -7.199 -2.924 1.00 0.00 C ATOM 203 C GLU A 142 10.264 -8.204 -3.706 1.00 0.00 C ATOM 204 O GLU A 142 9.051 -8.198 -3.632 1.00 0.00 O ATOM 205 CB GLU A 142 11.948 -7.939 -1.878 1.00 0.00 C ATOM 206 CG GLU A 142 13.031 -7.006 -1.335 1.00 0.00 C ATOM 207 CD GLU A 142 14.260 -7.067 -2.245 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.096 -7.392 -3.410 1.00 0.00 O ATOM 209 OE2 GLU A 142 15.345 -6.785 -1.761 1.00 0.00 O ATOM 0 H GLU A 142 9.965 -6.456 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 142 11.773 -6.671 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.310 -8.284 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.405 -8.823 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.654 -5.985 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 142 13.302 -7.297 -0.320 1.00 0.00 H new ATOM 216 N ASP A 143 10.891 -9.067 -4.457 1.00 0.00 N ATOM 217 CA ASP A 143 10.121 -10.070 -5.244 1.00 0.00 C ATOM 218 C ASP A 143 9.701 -11.222 -4.329 1.00 0.00 C ATOM 219 O ASP A 143 10.180 -11.354 -3.219 1.00 0.00 O ATOM 220 CB ASP A 143 10.996 -10.611 -6.377 1.00 0.00 C ATOM 221 CG ASP A 143 11.656 -9.443 -7.113 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.948 -8.722 -7.794 1.00 0.00 O ATOM 223 OD2 ASP A 143 12.860 -9.293 -6.983 1.00 0.00 O ATOM 0 H ASP A 143 11.904 -9.121 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 143 9.233 -9.598 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.758 -11.279 -5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.392 -11.197 -7.070 1.00 0.00 H new ATOM 228 N GLY A 144 8.809 -12.059 -4.784 1.00 0.00 N ATOM 229 CA GLY A 144 8.359 -13.202 -3.939 1.00 0.00 C ATOM 230 C GLY A 144 7.210 -12.750 -3.033 1.00 0.00 C ATOM 231 O GLY A 144 6.712 -13.508 -2.225 1.00 0.00 O ATOM 0 H GLY A 144 8.372 -12.001 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.034 -14.029 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.189 -13.570 -3.335 1.00 0.00 H new ATOM 235 N GLU A 145 6.787 -11.522 -3.160 1.00 0.00 N ATOM 236 CA GLU A 145 5.671 -11.028 -2.303 1.00 0.00 C ATOM 237 C GLU A 145 4.435 -10.783 -3.170 1.00 0.00 C ATOM 238 O GLU A 145 4.438 -11.035 -4.359 1.00 0.00 O ATOM 239 CB GLU A 145 6.086 -9.720 -1.627 1.00 0.00 C ATOM 240 CG GLU A 145 6.773 -10.028 -0.295 1.00 0.00 C ATOM 241 CD GLU A 145 5.776 -9.845 0.849 1.00 0.00 C ATOM 242 OE1 GLU A 145 4.619 -10.185 0.661 1.00 0.00 O ATOM 243 OE2 GLU A 145 6.184 -9.367 1.895 1.00 0.00 O ATOM 0 H GLU A 145 7.165 -10.840 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 145 5.441 -11.773 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.761 -9.162 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.211 -9.091 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.155 -11.049 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.629 -9.368 -0.154 1.00 0.00 H new ATOM 250 N GLU A 146 3.378 -10.292 -2.584 1.00 0.00 N ATOM 251 CA GLU A 146 2.141 -10.031 -3.374 1.00 0.00 C ATOM 252 C GLU A 146 1.606 -8.638 -3.032 1.00 0.00 C ATOM 253 O GLU A 146 0.657 -8.494 -2.290 1.00 0.00 O ATOM 254 CB GLU A 146 1.083 -11.084 -3.033 1.00 0.00 C ATOM 255 CG GLU A 146 1.722 -12.475 -3.032 1.00 0.00 C ATOM 256 CD GLU A 146 1.634 -13.075 -1.626 1.00 0.00 C ATOM 257 OE1 GLU A 146 0.529 -13.349 -1.189 1.00 0.00 O ATOM 258 OE2 GLU A 146 2.674 -13.249 -1.012 1.00 0.00 O ATOM 0 H GLU A 146 3.317 -10.060 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 146 2.371 -10.082 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.647 -10.873 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.271 -11.047 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 146 1.213 -13.121 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 146 2.764 -12.409 -3.346 1.00 0.00 H new ATOM 265 N ALA A 147 2.205 -7.613 -3.567 1.00 0.00 N ATOM 266 CA ALA A 147 1.730 -6.230 -3.271 1.00 0.00 C ATOM 267 C ALA A 147 0.360 -6.009 -3.914 1.00 0.00 C ATOM 268 O ALA A 147 -0.119 -6.821 -4.679 1.00 0.00 O ATOM 269 CB ALA A 147 2.729 -5.222 -3.845 1.00 0.00 C ATOM 0 H ALA A 147 3.004 -7.671 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 147 1.648 -6.095 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.387 -4.209 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.707 -5.379 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.806 -5.360 -4.924 1.00 0.00 H new ATOM 275 N ARG A 148 -0.271 -4.912 -3.602 1.00 0.00 N ATOM 276 CA ARG A 148 -1.606 -4.622 -4.180 1.00 0.00 C ATOM 277 C ARG A 148 -1.662 -3.140 -4.565 1.00 0.00 C ATOM 278 O ARG A 148 -1.459 -2.267 -3.744 1.00 0.00 O ATOM 279 CB ARG A 148 -2.677 -4.932 -3.130 1.00 0.00 C ATOM 280 CG ARG A 148 -2.482 -6.355 -2.603 1.00 0.00 C ATOM 281 CD ARG A 148 -3.747 -6.808 -1.872 1.00 0.00 C ATOM 282 NE ARG A 148 -4.447 -7.842 -2.684 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.731 -7.745 -2.898 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.511 -7.259 -1.972 1.00 0.00 N ATOM 285 NH2 ARG A 148 -6.234 -8.134 -4.037 1.00 0.00 N ATOM 0 H ARG A 148 0.087 -4.200 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.782 -5.233 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.614 -4.218 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.670 -4.828 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.264 -7.033 -3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.627 -6.390 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.489 -7.212 -0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.406 -5.957 -1.702 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.923 -8.626 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.117 -6.955 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.514 -7.183 -2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -5.624 -8.514 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -7.237 -8.058 -4.204 1.00 0.00 H new ATOM 299 N PHE A 149 -1.927 -2.849 -5.809 1.00 0.00 N ATOM 300 CA PHE A 149 -1.987 -1.425 -6.250 1.00 0.00 C ATOM 301 C PHE A 149 -3.453 -0.988 -6.351 1.00 0.00 C ATOM 302 O PHE A 149 -4.317 -1.773 -6.686 1.00 0.00 O ATOM 303 CB PHE A 149 -1.324 -1.289 -7.622 1.00 0.00 C ATOM 304 CG PHE A 149 -0.033 -2.073 -7.639 1.00 0.00 C ATOM 305 CD1 PHE A 149 -0.058 -3.460 -7.831 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.188 -1.412 -7.462 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.138 -4.186 -7.846 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.385 -2.138 -7.478 1.00 0.00 C ATOM 309 CZ PHE A 149 2.361 -3.525 -7.670 1.00 0.00 C ATOM 0 H PHE A 149 -2.105 -3.537 -6.541 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.465 -0.797 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.994 -1.656 -8.399 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.127 -0.239 -7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -1.001 -3.969 -7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.207 -0.342 -7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.119 -5.256 -7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.327 -1.628 -7.342 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.284 -4.085 -7.682 1.00 0.00 H new ATOM 319 N LEU A 150 -3.747 0.254 -6.070 1.00 0.00 N ATOM 320 CA LEU A 150 -5.163 0.716 -6.158 1.00 0.00 C ATOM 321 C LEU A 150 -5.382 1.453 -7.485 1.00 0.00 C ATOM 322 O LEU A 150 -4.441 1.896 -8.108 1.00 0.00 O ATOM 323 CB LEU A 150 -5.474 1.644 -4.981 1.00 0.00 C ATOM 324 CG LEU A 150 -5.037 0.978 -3.671 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.701 1.688 -2.493 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.461 -0.496 -3.672 1.00 0.00 C ATOM 0 H LEU A 150 -3.073 0.964 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.831 -0.145 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.956 2.595 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.541 1.864 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.953 1.045 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.391 1.215 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.402 2.736 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.784 1.620 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.148 -0.965 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.545 -0.563 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.992 -1.009 -4.511 1.00 0.00 H new ATOM 338 N PRO A 151 -6.625 1.543 -7.887 1.00 0.00 N ATOM 339 CA PRO A 151 -7.007 2.199 -9.153 1.00 0.00 C ATOM 340 C PRO A 151 -6.993 3.729 -9.027 1.00 0.00 C ATOM 341 O PRO A 151 -6.528 4.423 -9.910 1.00 0.00 O ATOM 342 CB PRO A 151 -8.428 1.689 -9.405 1.00 0.00 C ATOM 343 CG PRO A 151 -8.983 1.243 -8.030 1.00 0.00 C ATOM 344 CD PRO A 151 -7.764 0.998 -7.121 1.00 0.00 C ATOM 0 HA PRO A 151 -6.316 1.970 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.050 2.472 -9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.423 0.858 -10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.633 2.009 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.581 0.337 -8.129 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.876 1.502 -6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.631 -0.063 -6.911 1.00 0.00 H new ATOM 352 N ARG A 152 -7.510 4.266 -7.956 1.00 0.00 N ATOM 353 CA ARG A 152 -7.529 5.751 -7.813 1.00 0.00 C ATOM 354 C ARG A 152 -6.126 6.316 -7.996 1.00 0.00 C ATOM 355 O ARG A 152 -5.923 7.318 -8.655 1.00 0.00 O ATOM 356 CB ARG A 152 -7.966 6.138 -6.403 1.00 0.00 C ATOM 357 CG ARG A 152 -9.266 5.444 -6.006 1.00 0.00 C ATOM 358 CD ARG A 152 -10.036 6.345 -5.033 1.00 0.00 C ATOM 359 NE ARG A 152 -11.443 6.501 -5.497 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.944 7.693 -5.672 1.00 0.00 C ATOM 361 NH1 ARG A 152 -11.325 8.557 -6.431 1.00 0.00 N ATOM 362 NH2 ARG A 152 -13.064 8.022 -5.090 1.00 0.00 N ATOM 0 H ARG A 152 -7.917 3.746 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.215 6.144 -8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.181 5.875 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.098 7.218 -6.346 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.870 5.242 -6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -9.052 4.482 -5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.019 5.913 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.554 7.321 -4.968 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.015 5.676 -5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -10.450 8.300 -6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.717 9.489 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.548 7.347 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.455 8.954 -5.227 1.00 0.00 H new ATOM 376 N CYS A 153 -5.168 5.711 -7.361 1.00 0.00 N ATOM 377 CA CYS A 153 -3.779 6.241 -7.429 1.00 0.00 C ATOM 378 C CYS A 153 -2.804 5.212 -8.006 1.00 0.00 C ATOM 379 O CYS A 153 -2.032 5.512 -8.896 1.00 0.00 O ATOM 380 CB CYS A 153 -3.342 6.596 -6.008 1.00 0.00 C ATOM 381 SG CYS A 153 -3.858 5.274 -4.876 1.00 0.00 S ATOM 0 H CYS A 153 -5.285 4.870 -6.796 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.768 7.112 -8.084 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.260 6.723 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.786 7.544 -5.705 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.056 5.770 -3.691 1.00 0.00 H new ATOM 386 N GLY A 154 -2.803 4.015 -7.493 1.00 0.00 N ATOM 387 CA GLY A 154 -1.846 2.996 -7.996 1.00 0.00 C ATOM 388 C GLY A 154 -0.798 2.722 -6.912 1.00 0.00 C ATOM 389 O GLY A 154 0.056 1.871 -7.066 1.00 0.00 O ATOM 0 H GLY A 154 -3.424 3.699 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.374 2.077 -8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.363 3.350 -8.907 1.00 0.00 H new ATOM 393 N HIS A 155 -0.855 3.431 -5.808 1.00 0.00 N ATOM 394 CA HIS A 155 0.141 3.187 -4.724 1.00 0.00 C ATOM 395 C HIS A 155 0.202 1.682 -4.472 1.00 0.00 C ATOM 396 O HIS A 155 -0.790 1.064 -4.138 1.00 0.00 O ATOM 397 CB HIS A 155 -0.286 3.890 -3.427 1.00 0.00 C ATOM 398 CG HIS A 155 -0.055 5.380 -3.516 1.00 0.00 C ATOM 399 ND1 HIS A 155 0.992 6.124 -3.993 1.00 0.00 N flip ATOM 400 CD2 HIS A 155 -1.002 6.289 -3.057 1.00 0.00 C flip ATOM 401 CE1 HIS A 155 0.711 7.477 -3.838 1.00 0.00 C flip ATOM 402 NE2 HIS A 155 -0.498 7.522 -3.273 1.00 0.00 N flip ATOM 0 H HIS A 155 -1.542 4.160 -5.615 1.00 0.00 H new ATOM 0 HA HIS A 155 1.112 3.578 -5.028 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.340 3.693 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.275 3.481 -2.586 1.00 0.00 H new ATOM 0 HD1 HIS A 155 1.847 5.744 -4.400 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -1.958 6.053 -2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 155 1.337 8.313 -4.115 1.00 0.00 H new ATOM 409 N GLY A 156 1.342 1.079 -4.638 1.00 0.00 N ATOM 410 CA GLY A 156 1.431 -0.390 -4.417 1.00 0.00 C ATOM 411 C GLY A 156 1.907 -0.681 -2.991 1.00 0.00 C ATOM 412 O GLY A 156 2.928 -0.193 -2.547 1.00 0.00 O ATOM 0 H GLY A 156 2.212 1.534 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.457 -0.850 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.120 -0.832 -5.136 1.00 0.00 H new ATOM 416 N PHE A 157 1.166 -1.481 -2.280 1.00 0.00 N ATOM 417 CA PHE A 157 1.539 -1.837 -0.882 1.00 0.00 C ATOM 418 C PHE A 157 1.711 -3.350 -0.808 1.00 0.00 C ATOM 419 O PHE A 157 1.747 -4.023 -1.813 1.00 0.00 O ATOM 420 CB PHE A 157 0.418 -1.378 0.062 1.00 0.00 C ATOM 421 CG PHE A 157 0.230 0.108 -0.096 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.650 0.599 -1.063 1.00 0.00 C ATOM 423 CD2 PHE A 157 0.945 0.996 0.717 1.00 0.00 C ATOM 424 CE1 PHE A 157 -0.821 1.977 -1.219 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.776 2.377 0.562 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.107 2.867 -0.406 1.00 0.00 C ATOM 0 H PHE A 157 0.303 -1.911 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 157 2.468 -1.350 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.509 -1.903 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.671 -1.619 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.199 -0.087 -1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.627 0.616 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.503 2.356 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.326 3.063 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.238 3.932 -0.527 1.00 0.00 H new ATOM 436 N HIS A 158 1.834 -3.897 0.358 1.00 0.00 N ATOM 437 CA HIS A 158 2.008 -5.370 0.458 1.00 0.00 C ATOM 438 C HIS A 158 0.644 -6.031 0.589 1.00 0.00 C ATOM 439 O HIS A 158 -0.295 -5.427 1.044 1.00 0.00 O ATOM 440 CB HIS A 158 2.835 -5.686 1.698 1.00 0.00 C ATOM 441 CG HIS A 158 4.291 -5.693 1.323 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.192 -4.825 1.905 1.00 0.00 N ATOM 443 CD2 HIS A 158 5.004 -6.418 0.402 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.387 -5.034 1.329 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.332 -5.999 0.406 1.00 0.00 N ATOM 0 H HIS A 158 1.822 -3.395 1.246 1.00 0.00 H new ATOM 0 HA HIS A 158 2.512 -5.744 -0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.649 -4.944 2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.546 -6.654 2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.598 -7.194 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.284 -4.488 1.581 1.00 0.00 H new ATOM 0 HE2 HIS A 158 7.096 -6.352 -0.170 1.00 0.00 H new ATOM 452 N ALA A 159 0.520 -7.271 0.222 1.00 0.00 N ATOM 453 CA ALA A 159 -0.800 -7.929 0.385 1.00 0.00 C ATOM 454 C ALA A 159 -0.990 -8.173 1.881 1.00 0.00 C ATOM 455 O ALA A 159 -2.092 -8.230 2.387 1.00 0.00 O ATOM 456 CB ALA A 159 -0.821 -9.264 -0.362 1.00 0.00 C ATOM 0 H ALA A 159 1.260 -7.849 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.597 -7.305 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.795 -9.737 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.638 -9.091 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.045 -9.917 0.038 1.00 0.00 H new ATOM 462 N GLU A 160 0.105 -8.310 2.587 1.00 0.00 N ATOM 463 CA GLU A 160 0.042 -8.545 4.055 1.00 0.00 C ATOM 464 C GLU A 160 -0.104 -7.210 4.792 1.00 0.00 C ATOM 465 O GLU A 160 -0.998 -7.039 5.593 1.00 0.00 O ATOM 466 CB GLU A 160 1.322 -9.246 4.513 1.00 0.00 C ATOM 467 CG GLU A 160 1.407 -10.629 3.864 1.00 0.00 C ATOM 468 CD GLU A 160 2.133 -11.592 4.805 1.00 0.00 C ATOM 469 OE1 GLU A 160 1.489 -12.114 5.699 1.00 0.00 O ATOM 470 OE2 GLU A 160 3.322 -11.792 4.615 1.00 0.00 O ATOM 0 H GLU A 160 1.048 -8.268 2.201 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.820 -9.173 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.193 -8.650 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.329 -9.341 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.406 -11.002 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 160 1.937 -10.564 2.914 1.00 0.00 H new ATOM 477 N CYS A 161 0.762 -6.258 4.538 1.00 0.00 N ATOM 478 CA CYS A 161 0.637 -4.950 5.246 1.00 0.00 C ATOM 479 C CYS A 161 -0.671 -4.292 4.833 1.00 0.00 C ATOM 480 O CYS A 161 -1.368 -3.713 5.636 1.00 0.00 O ATOM 481 CB CYS A 161 1.796 -4.020 4.877 1.00 0.00 C ATOM 482 SG CYS A 161 3.357 -4.901 4.961 1.00 0.00 S ATOM 0 H CYS A 161 1.538 -6.330 3.880 1.00 0.00 H new ATOM 0 HA CYS A 161 0.658 -5.128 6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.648 -3.625 3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.816 -3.167 5.555 1.00 0.00 H new ATOM 0 HG CYS A 161 4.338 -4.060 4.817 1.00 0.00 H new ATOM 487 N VAL A 162 -1.003 -4.376 3.579 1.00 0.00 N ATOM 488 CA VAL A 162 -2.273 -3.755 3.101 1.00 0.00 C ATOM 489 C VAL A 162 -3.461 -4.399 3.825 1.00 0.00 C ATOM 490 O VAL A 162 -4.480 -3.774 4.042 1.00 0.00 O ATOM 491 CB VAL A 162 -2.416 -3.959 1.587 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.836 -5.402 1.296 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.483 -3.005 1.047 1.00 0.00 C ATOM 0 H VAL A 162 -0.452 -4.847 2.861 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.254 -2.686 3.315 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.460 -3.757 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.936 -5.542 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.080 -6.086 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.791 -5.607 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.587 -3.147 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.436 -3.211 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.187 -1.976 1.250 1.00 0.00 H new ATOM 503 N ASP A 163 -3.338 -5.645 4.203 1.00 0.00 N ATOM 504 CA ASP A 163 -4.461 -6.324 4.913 1.00 0.00 C ATOM 505 C ASP A 163 -4.508 -5.843 6.364 1.00 0.00 C ATOM 506 O ASP A 163 -5.542 -5.443 6.862 1.00 0.00 O ATOM 507 CB ASP A 163 -4.241 -7.839 4.882 1.00 0.00 C ATOM 508 CG ASP A 163 -4.752 -8.399 3.553 1.00 0.00 C ATOM 509 OD1 ASP A 163 -4.828 -7.638 2.602 1.00 0.00 O ATOM 510 OD2 ASP A 163 -5.058 -9.579 3.508 1.00 0.00 O ATOM 0 H ASP A 163 -2.510 -6.220 4.051 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.403 -6.085 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.182 -8.066 5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.764 -8.311 5.714 1.00 0.00 H new ATOM 515 N MET A 164 -3.397 -5.868 7.044 1.00 0.00 N ATOM 516 CA MET A 164 -3.377 -5.399 8.454 1.00 0.00 C ATOM 517 C MET A 164 -3.738 -3.915 8.479 1.00 0.00 C ATOM 518 O MET A 164 -4.201 -3.390 9.471 1.00 0.00 O ATOM 519 CB MET A 164 -1.981 -5.601 9.044 1.00 0.00 C ATOM 520 CG MET A 164 -1.596 -7.078 8.950 1.00 0.00 C ATOM 521 SD MET A 164 -1.779 -7.854 10.574 1.00 0.00 S ATOM 522 CE MET A 164 -0.016 -8.014 10.948 1.00 0.00 C ATOM 0 H MET A 164 -2.501 -6.194 6.682 1.00 0.00 H new ATOM 0 HA MET A 164 -4.095 -5.966 9.046 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.256 -4.990 8.506 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.964 -5.275 10.084 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.228 -7.584 8.220 1.00 0.00 H new ATOM 0 HG3 MET A 164 -0.567 -7.175 8.603 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.108 -8.479 11.926 1.00 0.00 H new ATOM 0 HE2 MET A 164 0.462 -8.633 10.189 1.00 0.00 H new ATOM 0 HE3 MET A 164 0.446 -7.027 10.955 1.00 0.00 H new ATOM 532 N TRP A 165 -3.530 -3.237 7.383 1.00 0.00 N ATOM 533 CA TRP A 165 -3.863 -1.789 7.322 1.00 0.00 C ATOM 534 C TRP A 165 -5.357 -1.637 7.079 1.00 0.00 C ATOM 535 O TRP A 165 -5.953 -0.634 7.417 1.00 0.00 O ATOM 536 CB TRP A 165 -3.098 -1.134 6.176 1.00 0.00 C ATOM 537 CG TRP A 165 -3.481 0.308 6.085 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.446 0.812 5.275 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.927 1.439 6.817 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.499 2.188 5.454 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.589 2.616 6.398 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.920 1.557 7.793 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.264 3.865 6.924 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.592 2.814 8.328 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.262 3.965 7.892 1.00 0.00 C ATOM 0 H TRP A 165 -3.142 -3.628 6.524 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.586 -1.309 8.261 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -2.024 -1.227 6.340 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.322 -1.641 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.068 0.239 4.604 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.133 2.807 4.949 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.396 0.676 8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.783 4.749 6.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.820 2.894 9.079 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -2.004 4.929 8.304 1.00 0.00 H new ATOM 556 N LEU A 166 -5.975 -2.634 6.509 1.00 0.00 N ATOM 557 CA LEU A 166 -7.429 -2.545 6.270 1.00 0.00 C ATOM 558 C LEU A 166 -8.065 -2.175 7.598 1.00 0.00 C ATOM 559 O LEU A 166 -8.642 -1.128 7.733 1.00 0.00 O ATOM 560 CB LEU A 166 -7.960 -3.897 5.784 1.00 0.00 C ATOM 561 CG LEU A 166 -7.800 -4.000 4.265 1.00 0.00 C ATOM 562 CD1 LEU A 166 -8.498 -5.265 3.763 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.428 -2.775 3.598 1.00 0.00 C ATOM 0 H LEU A 166 -5.532 -3.500 6.202 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.662 -1.803 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.419 -4.708 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.010 -4.005 6.057 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.740 -4.045 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -8.384 -5.339 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -8.050 -6.139 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -9.558 -5.220 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.313 -2.850 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.488 -2.728 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -7.931 -1.872 3.954 1.00 0.00 H new ATOM 575 N GLY A 167 -7.902 -3.027 8.577 1.00 0.00 N ATOM 576 CA GLY A 167 -8.437 -2.762 9.959 1.00 0.00 C ATOM 577 C GLY A 167 -9.518 -1.674 9.948 1.00 0.00 C ATOM 578 O GLY A 167 -9.349 -0.632 10.549 1.00 0.00 O ATOM 0 H GLY A 167 -7.411 -3.916 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -8.850 -3.682 10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.620 -2.457 10.614 1.00 0.00 H new ATOM 582 N SER A 168 -10.607 -1.903 9.257 1.00 0.00 N ATOM 583 CA SER A 168 -11.705 -0.883 9.181 1.00 0.00 C ATOM 584 C SER A 168 -11.468 0.018 7.967 1.00 0.00 C ATOM 585 O SER A 168 -12.335 0.186 7.131 1.00 0.00 O ATOM 586 CB SER A 168 -11.752 -0.037 10.455 1.00 0.00 C ATOM 587 OG SER A 168 -10.905 1.094 10.299 1.00 0.00 O ATOM 0 H SER A 168 -10.786 -2.761 8.736 1.00 0.00 H new ATOM 0 HA SER A 168 -12.660 -1.399 9.081 1.00 0.00 H new ATOM 0 HB2 SER A 168 -12.774 0.284 10.654 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.432 -0.630 11.311 1.00 0.00 H new ATOM 0 HG SER A 168 -9.968 0.812 10.360 1.00 0.00 H new ATOM 593 N HIS A 169 -10.298 0.588 7.849 1.00 0.00 N ATOM 594 CA HIS A 169 -10.018 1.458 6.673 1.00 0.00 C ATOM 595 C HIS A 169 -9.909 0.576 5.427 1.00 0.00 C ATOM 596 O HIS A 169 -8.970 -0.177 5.265 1.00 0.00 O ATOM 597 CB HIS A 169 -8.684 2.195 6.879 1.00 0.00 C ATOM 598 CG HIS A 169 -8.697 2.892 8.212 1.00 0.00 C ATOM 599 ND1 HIS A 169 -8.383 2.238 9.392 1.00 0.00 N ATOM 600 CD2 HIS A 169 -8.984 4.187 8.567 1.00 0.00 C ATOM 601 CE1 HIS A 169 -8.487 3.132 10.392 1.00 0.00 C ATOM 602 NE2 HIS A 169 -8.851 4.336 9.944 1.00 0.00 N ATOM 0 H HIS A 169 -9.529 0.489 8.512 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.821 2.186 6.556 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.855 1.488 6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.529 2.919 6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -9.270 4.971 7.881 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -8.299 2.904 11.431 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.000 5.183 10.493 1.00 0.00 H new ATOM 610 N SER A 170 -10.861 0.675 4.541 1.00 0.00 N ATOM 611 CA SER A 170 -10.817 -0.142 3.295 1.00 0.00 C ATOM 612 C SER A 170 -10.344 0.760 2.163 1.00 0.00 C ATOM 613 O SER A 170 -10.889 0.763 1.078 1.00 0.00 O ATOM 614 CB SER A 170 -12.215 -0.675 2.979 1.00 0.00 C ATOM 615 OG SER A 170 -12.312 -2.024 3.415 1.00 0.00 O ATOM 0 H SER A 170 -11.671 1.289 4.626 1.00 0.00 H new ATOM 0 HA SER A 170 -10.141 -0.988 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.970 -0.065 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.407 -0.612 1.908 1.00 0.00 H new ATOM 0 HG SER A 170 -13.207 -2.369 3.216 1.00 0.00 H new ATOM 621 N THR A 171 -9.344 1.545 2.430 1.00 0.00 N ATOM 622 CA THR A 171 -8.828 2.482 1.403 1.00 0.00 C ATOM 623 C THR A 171 -7.305 2.383 1.327 1.00 0.00 C ATOM 624 O THR A 171 -6.678 1.595 2.005 1.00 0.00 O ATOM 625 CB THR A 171 -9.220 3.912 1.784 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.743 4.199 3.091 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.743 4.053 1.753 1.00 0.00 C ATOM 0 H THR A 171 -8.857 1.577 3.326 1.00 0.00 H new ATOM 0 HA THR A 171 -9.255 2.224 0.434 1.00 0.00 H new ATOM 0 HB THR A 171 -8.779 4.611 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 171 -8.991 5.115 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.020 5.072 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.108 3.833 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.188 3.355 2.462 1.00 0.00 H new ATOM 635 N CYS A 172 -6.721 3.195 0.502 1.00 0.00 N ATOM 636 CA CYS A 172 -5.243 3.206 0.339 1.00 0.00 C ATOM 637 C CYS A 172 -4.629 3.781 1.623 1.00 0.00 C ATOM 638 O CYS A 172 -5.109 4.772 2.136 1.00 0.00 O ATOM 639 CB CYS A 172 -4.960 4.127 -0.843 1.00 0.00 C ATOM 640 SG CYS A 172 -3.250 4.026 -1.398 1.00 0.00 S ATOM 0 H CYS A 172 -7.216 3.869 -0.082 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.826 2.214 0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.623 3.868 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.188 5.155 -0.562 1.00 0.00 H new ATOM 0 HG CYS A 172 -2.859 2.786 -1.375 1.00 0.00 H new ATOM 645 N PRO A 173 -3.610 3.127 2.132 1.00 0.00 N ATOM 646 CA PRO A 173 -2.955 3.547 3.387 1.00 0.00 C ATOM 647 C PRO A 173 -2.070 4.771 3.226 1.00 0.00 C ATOM 648 O PRO A 173 -1.753 5.430 4.198 1.00 0.00 O ATOM 649 CB PRO A 173 -2.089 2.351 3.767 1.00 0.00 C ATOM 650 CG PRO A 173 -1.864 1.543 2.474 1.00 0.00 C ATOM 651 CD PRO A 173 -3.006 1.923 1.514 1.00 0.00 C ATOM 0 HA PRO A 173 -3.701 3.824 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.139 2.679 4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.581 1.741 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.894 1.777 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.871 0.473 2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.632 2.134 0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.733 1.116 1.419 1.00 0.00 H new ATOM 659 N LEU A 174 -1.618 5.079 2.052 1.00 0.00 N ATOM 660 CA LEU A 174 -0.717 6.249 1.962 1.00 0.00 C ATOM 661 C LEU A 174 -1.481 7.512 1.563 1.00 0.00 C ATOM 662 O LEU A 174 -1.230 8.579 2.087 1.00 0.00 O ATOM 663 CB LEU A 174 0.390 5.969 0.945 1.00 0.00 C ATOM 664 CG LEU A 174 1.411 7.107 0.972 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.478 6.811 2.028 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.077 7.227 -0.402 1.00 0.00 C ATOM 0 H LEU A 174 -1.823 4.592 1.179 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.279 6.417 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.879 5.023 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.036 5.872 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 174 0.906 8.042 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 174 3.206 7.622 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 174 2.007 6.723 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.983 5.876 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.805 8.038 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.582 6.292 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.319 7.437 -1.157 1.00 0.00 H new ATOM 678 N CYS A 175 -2.411 7.419 0.657 1.00 0.00 N ATOM 679 CA CYS A 175 -3.164 8.643 0.275 1.00 0.00 C ATOM 680 C CYS A 175 -4.578 8.565 0.870 1.00 0.00 C ATOM 681 O CYS A 175 -5.049 9.518 1.453 1.00 0.00 O ATOM 682 CB CYS A 175 -3.178 8.788 -1.253 1.00 0.00 C ATOM 683 SG CYS A 175 -4.284 7.574 -1.990 1.00 0.00 S ATOM 0 H CYS A 175 -2.680 6.563 0.171 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.680 9.534 0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.498 9.794 -1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.170 8.657 -1.646 1.00 0.00 H new ATOM 0 HG CYS A 175 -3.823 6.378 -1.771 1.00 0.00 H new ATOM 688 N ARG A 176 -5.233 7.425 0.741 1.00 0.00 N ATOM 689 CA ARG A 176 -6.607 7.211 1.308 1.00 0.00 C ATOM 690 C ARG A 176 -7.636 7.327 0.197 1.00 0.00 C ATOM 691 O ARG A 176 -8.699 7.892 0.357 1.00 0.00 O ATOM 692 CB ARG A 176 -6.928 8.196 2.437 1.00 0.00 C ATOM 693 CG ARG A 176 -5.883 8.048 3.549 1.00 0.00 C ATOM 694 CD ARG A 176 -6.209 9.014 4.689 1.00 0.00 C ATOM 695 NE ARG A 176 -5.963 10.414 4.241 1.00 0.00 N ATOM 696 CZ ARG A 176 -6.296 11.413 5.012 1.00 0.00 C ATOM 697 NH1 ARG A 176 -5.567 11.702 6.055 1.00 0.00 N ATOM 698 NH2 ARG A 176 -7.357 12.121 4.740 1.00 0.00 N ATOM 0 H ARG A 176 -4.857 6.613 0.251 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.639 6.211 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -6.928 9.217 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -7.926 8.003 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.873 7.023 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -4.887 8.255 3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -7.249 8.896 4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -5.594 8.786 5.560 1.00 0.00 H new ATOM 0 HE ARG A 176 -5.535 10.591 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -4.738 11.147 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -5.826 12.483 6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -7.926 11.894 3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -7.617 12.902 5.343 1.00 0.00 H new ATOM 712 N LEU A 177 -7.320 6.755 -0.924 1.00 0.00 N ATOM 713 CA LEU A 177 -8.246 6.765 -2.069 1.00 0.00 C ATOM 714 C LEU A 177 -9.048 5.460 -2.029 1.00 0.00 C ATOM 715 O LEU A 177 -8.635 4.451 -2.564 1.00 0.00 O ATOM 716 CB LEU A 177 -7.421 6.842 -3.353 1.00 0.00 C ATOM 717 CG LEU A 177 -6.853 8.255 -3.514 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.705 8.238 -4.524 1.00 0.00 C ATOM 719 CD2 LEU A 177 -7.952 9.189 -4.022 1.00 0.00 C ATOM 0 H LEU A 177 -6.438 6.272 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.926 7.616 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.610 6.115 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.042 6.589 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.485 8.606 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.304 9.245 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.919 7.571 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.073 7.885 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.550 10.195 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.317 8.832 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.774 9.207 -3.306 1.00 0.00 H new