USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=11 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 100:sc= 0.0364 USER MOD Set 1.2: A 137 CYS SG : rot -59:sc= -0.0543 USER MOD Set 1.3: A 158 HIS : no HE2:sc= -6.24! C(o=-7.4!,f=-8.9!) USER MOD Set 1.4: A 161 CYS SG : rot -173:sc= -1.12 USER MOD Set 2.1: A 153 CYS SG : rot -153:sc= -0.19 USER MOD Set 2.2: A 155 HIS : no HE2:sc= -1.37 K(o=-13,f=-12) USER MOD Set 2.3: A 172 CYS SG : rot 27:sc= -2.13 USER MOD Set 2.4: A 175 CYS SG : rot -67:sc= -8.93! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -87:sc= 0.541 USER MOD Single : A 169 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD Single : A 170 SER OG : rot -60:sc= 0.282 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLU A 133 7.142 2.441 -2.275 1.00 0.00 N ATOM 78 CA GLU A 133 7.444 2.025 -0.877 1.00 0.00 C ATOM 79 C GLU A 133 6.152 1.849 -0.083 1.00 0.00 C ATOM 80 O GLU A 133 5.376 2.770 0.083 1.00 0.00 O ATOM 81 CB GLU A 133 8.308 3.080 -0.188 1.00 0.00 C ATOM 82 CG GLU A 133 9.784 2.730 -0.367 1.00 0.00 C ATOM 83 CD GLU A 133 10.245 3.145 -1.764 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.755 4.151 -2.254 1.00 0.00 O ATOM 85 OE2 GLU A 133 11.079 2.452 -2.323 1.00 0.00 O ATOM 0 HA GLU A 133 7.981 1.077 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.103 4.064 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.062 3.130 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.383 3.237 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.934 1.659 -0.227 1.00 0.00 H new ATOM 92 N CYS A 134 5.937 0.674 0.428 1.00 0.00 N ATOM 93 CA CYS A 134 4.723 0.414 1.243 1.00 0.00 C ATOM 94 C CYS A 134 4.847 1.236 2.531 1.00 0.00 C ATOM 95 O CYS A 134 5.693 0.984 3.363 1.00 0.00 O ATOM 96 CB CYS A 134 4.666 -1.098 1.512 1.00 0.00 C ATOM 97 SG CYS A 134 3.868 -1.495 3.088 1.00 0.00 S ATOM 0 H CYS A 134 6.558 -0.127 0.315 1.00 0.00 H new ATOM 0 HA CYS A 134 3.800 0.706 0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 134 4.125 -1.587 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 134 5.678 -1.502 1.510 1.00 0.00 H new ATOM 0 HG CYS A 134 2.637 -1.855 2.873 1.00 0.00 H new ATOM 102 N ALA A 135 4.036 2.251 2.673 1.00 0.00 N ATOM 103 CA ALA A 135 4.125 3.135 3.874 1.00 0.00 C ATOM 104 C ALA A 135 3.704 2.386 5.137 1.00 0.00 C ATOM 105 O ALA A 135 3.756 2.922 6.227 1.00 0.00 O ATOM 106 CB ALA A 135 3.210 4.345 3.678 1.00 0.00 C ATOM 0 H ALA A 135 3.310 2.508 2.004 1.00 0.00 H new ATOM 0 HA ALA A 135 5.160 3.458 3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.272 4.993 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.523 4.899 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.182 4.007 3.549 1.00 0.00 H new ATOM 112 N VAL A 136 3.290 1.161 5.015 1.00 0.00 N ATOM 113 CA VAL A 136 2.874 0.407 6.227 1.00 0.00 C ATOM 114 C VAL A 136 4.114 -0.133 6.941 1.00 0.00 C ATOM 115 O VAL A 136 4.418 0.256 8.051 1.00 0.00 O ATOM 116 CB VAL A 136 1.971 -0.750 5.817 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.260 -1.301 7.056 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.931 -0.254 4.810 1.00 0.00 C ATOM 0 H VAL A 136 3.221 0.650 4.135 1.00 0.00 H new ATOM 0 HA VAL A 136 2.330 1.068 6.901 1.00 0.00 H new ATOM 0 HB VAL A 136 2.571 -1.537 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.613 -2.129 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.001 -1.653 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.659 -0.513 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.285 -1.082 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.329 0.532 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.437 0.141 3.929 1.00 0.00 H new ATOM 128 N CYS A 137 4.838 -1.020 6.314 1.00 0.00 N ATOM 129 CA CYS A 137 6.058 -1.570 6.966 1.00 0.00 C ATOM 130 C CYS A 137 7.280 -0.761 6.516 1.00 0.00 C ATOM 131 O CYS A 137 8.259 -0.645 7.229 1.00 0.00 O ATOM 132 CB CYS A 137 6.254 -3.038 6.583 1.00 0.00 C ATOM 133 SG CYS A 137 6.733 -3.155 4.844 1.00 0.00 S ATOM 0 H CYS A 137 4.638 -1.385 5.383 1.00 0.00 H new ATOM 0 HA CYS A 137 5.942 -1.501 8.048 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.021 -3.489 7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.333 -3.595 6.755 1.00 0.00 H new ATOM 0 HG CYS A 137 5.814 -2.610 4.103 1.00 0.00 H new ATOM 138 N LEU A 138 7.226 -0.205 5.335 1.00 0.00 N ATOM 139 CA LEU A 138 8.374 0.596 4.822 1.00 0.00 C ATOM 140 C LEU A 138 9.518 -0.341 4.431 1.00 0.00 C ATOM 141 O LEU A 138 10.672 -0.073 4.699 1.00 0.00 O ATOM 142 CB LEU A 138 8.847 1.562 5.905 1.00 0.00 C ATOM 143 CG LEU A 138 7.637 2.231 6.563 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.028 2.738 7.951 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.176 3.409 5.701 1.00 0.00 C ATOM 0 H LEU A 138 6.430 -0.272 4.700 1.00 0.00 H new ATOM 0 HA LEU A 138 8.058 1.163 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.431 1.027 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.502 2.318 5.471 1.00 0.00 H new ATOM 0 HG LEU A 138 6.826 1.508 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.167 3.214 8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.358 1.900 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.838 3.462 7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.315 3.886 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 138 7.986 4.132 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.898 3.048 4.711 1.00 0.00 H new ATOM 157 N ALA A 139 9.206 -1.436 3.794 1.00 0.00 N ATOM 158 CA ALA A 139 10.275 -2.387 3.381 1.00 0.00 C ATOM 159 C ALA A 139 10.303 -2.483 1.855 1.00 0.00 C ATOM 160 O ALA A 139 9.300 -2.749 1.223 1.00 0.00 O ATOM 161 CB ALA A 139 9.990 -3.769 3.975 1.00 0.00 C ATOM 0 H ALA A 139 8.257 -1.713 3.542 1.00 0.00 H new ATOM 0 HA ALA A 139 11.239 -2.031 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.773 -4.464 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.967 -3.700 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 139 9.026 -4.128 3.614 1.00 0.00 H new ATOM 167 N GLU A 140 11.443 -2.267 1.257 1.00 0.00 N ATOM 168 CA GLU A 140 11.527 -2.346 -0.228 1.00 0.00 C ATOM 169 C GLU A 140 10.799 -3.603 -0.710 1.00 0.00 C ATOM 170 O GLU A 140 11.123 -4.707 -0.320 1.00 0.00 O ATOM 171 CB GLU A 140 12.997 -2.411 -0.652 1.00 0.00 C ATOM 172 CG GLU A 140 13.711 -1.126 -0.225 1.00 0.00 C ATOM 173 CD GLU A 140 15.095 -1.072 -0.873 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.215 -1.508 -2.006 1.00 0.00 O ATOM 175 OE2 GLU A 140 16.013 -0.595 -0.225 1.00 0.00 O ATOM 0 H GLU A 140 12.317 -2.040 1.731 1.00 0.00 H new ATOM 0 HA GLU A 140 11.062 -1.464 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.480 -3.276 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.069 -2.538 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.125 -0.256 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.804 -1.093 0.860 1.00 0.00 H new ATOM 182 N LEU A 141 9.816 -3.444 -1.554 1.00 0.00 N ATOM 183 CA LEU A 141 9.067 -4.631 -2.056 1.00 0.00 C ATOM 184 C LEU A 141 10.034 -5.594 -2.748 1.00 0.00 C ATOM 185 O LEU A 141 10.500 -5.342 -3.842 1.00 0.00 O ATOM 186 CB LEU A 141 8.000 -4.175 -3.055 1.00 0.00 C ATOM 187 CG LEU A 141 7.086 -3.146 -2.391 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.511 -2.212 -3.457 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.942 -3.866 -1.675 1.00 0.00 C ATOM 0 H LEU A 141 9.500 -2.545 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 141 8.589 -5.138 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.473 -3.742 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.416 -5.030 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 141 7.659 -2.565 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.859 -1.478 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 141 7.325 -1.698 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.939 -2.793 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.290 -3.132 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.369 -4.447 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.350 -4.532 -0.915 1.00 0.00 H new ATOM 201 N GLU A 142 10.338 -6.697 -2.119 1.00 0.00 N ATOM 202 CA GLU A 142 11.275 -7.676 -2.740 1.00 0.00 C ATOM 203 C GLU A 142 10.474 -8.738 -3.497 1.00 0.00 C ATOM 204 O GLU A 142 9.273 -8.848 -3.349 1.00 0.00 O ATOM 205 CB GLU A 142 12.107 -8.346 -1.645 1.00 0.00 C ATOM 206 CG GLU A 142 12.863 -7.277 -0.852 1.00 0.00 C ATOM 207 CD GLU A 142 14.326 -7.691 -0.702 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.840 -8.321 -1.612 1.00 0.00 O ATOM 209 OE2 GLU A 142 14.910 -7.372 0.321 1.00 0.00 O ATOM 0 H GLU A 142 9.978 -6.962 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 142 11.937 -7.159 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.460 -8.917 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.811 -9.051 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.797 -6.316 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 142 12.408 -7.148 0.130 1.00 0.00 H new ATOM 216 N ASP A 143 11.131 -9.522 -4.308 1.00 0.00 N ATOM 217 CA ASP A 143 10.408 -10.576 -5.075 1.00 0.00 C ATOM 218 C ASP A 143 9.813 -11.597 -4.104 1.00 0.00 C ATOM 219 O ASP A 143 10.347 -11.842 -3.041 1.00 0.00 O ATOM 220 CB ASP A 143 11.385 -11.279 -6.019 1.00 0.00 C ATOM 221 CG ASP A 143 11.710 -10.358 -7.197 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.808 -10.074 -7.967 1.00 0.00 O ATOM 223 OD2 ASP A 143 12.855 -9.952 -7.307 1.00 0.00 O ATOM 0 H ASP A 143 12.137 -9.478 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 143 9.607 -10.118 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 143 12.299 -11.540 -5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.950 -12.211 -6.381 1.00 0.00 H new ATOM 228 N GLY A 144 8.711 -12.198 -4.461 1.00 0.00 N ATOM 229 CA GLY A 144 8.083 -13.203 -3.558 1.00 0.00 C ATOM 230 C GLY A 144 6.954 -12.547 -2.761 1.00 0.00 C ATOM 231 O GLY A 144 6.286 -13.188 -1.972 1.00 0.00 O ATOM 0 H GLY A 144 8.218 -12.036 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 144 7.692 -14.036 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 144 8.830 -13.613 -2.878 1.00 0.00 H new ATOM 235 N GLU A 145 6.733 -11.276 -2.958 1.00 0.00 N ATOM 236 CA GLU A 145 5.645 -10.585 -2.208 1.00 0.00 C ATOM 237 C GLU A 145 4.512 -10.220 -3.168 1.00 0.00 C ATOM 238 O GLU A 145 4.694 -10.167 -4.369 1.00 0.00 O ATOM 239 CB GLU A 145 6.198 -9.311 -1.566 1.00 0.00 C ATOM 240 CG GLU A 145 7.079 -9.683 -0.372 1.00 0.00 C ATOM 241 CD GLU A 145 6.489 -9.085 0.906 1.00 0.00 C ATOM 242 OE1 GLU A 145 5.289 -9.203 1.092 1.00 0.00 O ATOM 243 OE2 GLU A 145 7.246 -8.518 1.676 1.00 0.00 O ATOM 0 H GLU A 145 7.258 -10.687 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 145 5.263 -11.248 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.776 -8.745 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.379 -8.669 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.147 -10.767 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 145 8.092 -9.312 -0.525 1.00 0.00 H new ATOM 250 N GLU A 146 3.340 -9.967 -2.648 1.00 0.00 N ATOM 251 CA GLU A 146 2.195 -9.605 -3.530 1.00 0.00 C ATOM 252 C GLU A 146 1.654 -8.232 -3.124 1.00 0.00 C ATOM 253 O GLU A 146 0.663 -8.123 -2.429 1.00 0.00 O ATOM 254 CB GLU A 146 1.092 -10.654 -3.385 1.00 0.00 C ATOM 255 CG GLU A 146 1.594 -11.998 -3.920 1.00 0.00 C ATOM 256 CD GLU A 146 0.973 -12.267 -5.291 1.00 0.00 C ATOM 257 OE1 GLU A 146 -0.204 -11.988 -5.453 1.00 0.00 O ATOM 258 OE2 GLU A 146 1.685 -12.749 -6.158 1.00 0.00 O ATOM 0 H GLU A 146 3.127 -9.996 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 146 2.529 -9.570 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.803 -10.752 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.203 -10.341 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.681 -11.987 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 146 1.332 -12.798 -3.227 1.00 0.00 H new ATOM 265 N ALA A 147 2.300 -7.184 -3.551 1.00 0.00 N ATOM 266 CA ALA A 147 1.833 -5.813 -3.194 1.00 0.00 C ATOM 267 C ALA A 147 0.515 -5.515 -3.913 1.00 0.00 C ATOM 268 O ALA A 147 0.296 -5.938 -5.031 1.00 0.00 O ATOM 269 CB ALA A 147 2.892 -4.796 -3.626 1.00 0.00 C ATOM 0 H ALA A 147 3.136 -7.217 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 147 1.677 -5.748 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.558 -3.791 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.831 -5.009 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.043 -4.863 -4.703 1.00 0.00 H new ATOM 275 N ARG A 148 -0.364 -4.791 -3.276 1.00 0.00 N ATOM 276 CA ARG A 148 -1.668 -4.465 -3.915 1.00 0.00 C ATOM 277 C ARG A 148 -1.704 -2.976 -4.285 1.00 0.00 C ATOM 278 O ARG A 148 -1.537 -2.113 -3.447 1.00 0.00 O ATOM 279 CB ARG A 148 -2.794 -4.782 -2.927 1.00 0.00 C ATOM 280 CG ARG A 148 -2.670 -6.235 -2.463 1.00 0.00 C ATOM 281 CD ARG A 148 -3.970 -6.669 -1.783 1.00 0.00 C ATOM 282 NE ARG A 148 -4.485 -7.903 -2.440 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.342 -8.665 -1.818 1.00 0.00 C ATOM 284 NH1 ARG A 148 -5.968 -8.217 -0.765 1.00 0.00 N ATOM 285 NH2 ARG A 148 -5.572 -9.876 -2.249 1.00 0.00 N ATOM 0 H ARG A 148 -0.234 -4.411 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.796 -5.057 -4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.741 -4.110 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.763 -4.621 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.459 -6.882 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.834 -6.336 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.795 -6.854 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.711 -5.872 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 148 -4.167 -8.152 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -5.787 -7.271 -0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -6.638 -8.812 -0.278 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -5.082 -10.226 -3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.242 -10.472 -1.763 1.00 0.00 H new ATOM 299 N PHE A 149 -1.922 -2.672 -5.539 1.00 0.00 N ATOM 300 CA PHE A 149 -1.971 -1.242 -5.974 1.00 0.00 C ATOM 301 C PHE A 149 -3.435 -0.817 -6.143 1.00 0.00 C ATOM 302 O PHE A 149 -4.276 -1.609 -6.520 1.00 0.00 O ATOM 303 CB PHE A 149 -1.248 -1.090 -7.314 1.00 0.00 C ATOM 304 CG PHE A 149 0.139 -1.677 -7.217 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.313 -3.066 -7.196 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.253 -0.831 -7.152 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.601 -3.608 -7.111 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.540 -1.374 -7.067 1.00 0.00 C ATOM 309 CZ PHE A 149 2.715 -2.763 -7.046 1.00 0.00 C ATOM 0 H PHE A 149 -2.069 -3.354 -6.283 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.486 -0.617 -5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.811 -1.593 -8.100 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.189 -0.037 -7.588 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.546 -3.719 -7.245 1.00 0.00 H new ATOM 0 HD2 PHE A 149 1.119 0.241 -7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.735 -4.680 -7.096 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.399 -0.721 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.708 -3.182 -6.980 1.00 0.00 H new ATOM 319 N LEU A 150 -3.757 0.424 -5.872 1.00 0.00 N ATOM 320 CA LEU A 150 -5.174 0.867 -6.030 1.00 0.00 C ATOM 321 C LEU A 150 -5.334 1.625 -7.355 1.00 0.00 C ATOM 322 O LEU A 150 -4.367 2.093 -7.919 1.00 0.00 O ATOM 323 CB LEU A 150 -5.566 1.769 -4.858 1.00 0.00 C ATOM 324 CG LEU A 150 -5.132 1.115 -3.541 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.849 1.794 -2.375 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.496 -0.374 -3.557 1.00 0.00 C ATOM 0 H LEU A 150 -3.107 1.142 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.827 -0.006 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.094 2.746 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.643 1.934 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.054 1.224 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.541 1.330 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.592 2.853 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.927 1.684 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.186 -0.835 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.574 -0.484 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.988 -0.864 -4.387 1.00 0.00 H new ATOM 338 N PRO A 151 -6.556 1.699 -7.823 1.00 0.00 N ATOM 339 CA PRO A 151 -6.887 2.366 -9.099 1.00 0.00 C ATOM 340 C PRO A 151 -6.928 3.896 -8.961 1.00 0.00 C ATOM 341 O PRO A 151 -6.449 4.611 -9.819 1.00 0.00 O ATOM 342 CB PRO A 151 -8.275 1.817 -9.435 1.00 0.00 C ATOM 343 CG PRO A 151 -8.893 1.334 -8.101 1.00 0.00 C ATOM 344 CD PRO A 151 -7.723 1.120 -7.124 1.00 0.00 C ATOM 0 HA PRO A 151 -6.141 2.171 -9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -8.896 2.587 -9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.205 0.997 -10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.594 2.071 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.451 0.409 -8.245 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.904 1.618 -6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.573 0.062 -6.908 1.00 0.00 H new ATOM 352 N ARG A 152 -7.504 4.411 -7.908 1.00 0.00 N ATOM 353 CA ARG A 152 -7.577 5.894 -7.758 1.00 0.00 C ATOM 354 C ARG A 152 -6.192 6.511 -7.902 1.00 0.00 C ATOM 355 O ARG A 152 -6.006 7.526 -8.544 1.00 0.00 O ATOM 356 CB ARG A 152 -8.048 6.254 -6.354 1.00 0.00 C ATOM 357 CG ARG A 152 -9.279 5.455 -5.946 1.00 0.00 C ATOM 358 CD ARG A 152 -10.101 6.280 -4.946 1.00 0.00 C ATOM 359 NE ARG A 152 -11.496 6.436 -5.446 1.00 0.00 N ATOM 360 CZ ARG A 152 -12.021 7.625 -5.552 1.00 0.00 C ATOM 361 NH1 ARG A 152 -11.403 8.554 -6.229 1.00 0.00 N ATOM 362 NH2 ARG A 152 -13.164 7.888 -4.979 1.00 0.00 N ATOM 0 H ARG A 152 -7.925 3.874 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.260 6.265 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.243 6.069 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.275 7.319 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.881 5.217 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.981 4.507 -5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.107 5.789 -3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.644 7.259 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 152 -12.040 5.613 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -10.509 8.350 -6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.814 9.484 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.647 7.163 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.574 8.818 -5.062 1.00 0.00 H new ATOM 376 N CYS A 153 -5.236 5.931 -7.245 1.00 0.00 N ATOM 377 CA CYS A 153 -3.861 6.503 -7.260 1.00 0.00 C ATOM 378 C CYS A 153 -2.843 5.511 -7.825 1.00 0.00 C ATOM 379 O CYS A 153 -2.067 5.840 -8.700 1.00 0.00 O ATOM 380 CB CYS A 153 -3.475 6.844 -5.817 1.00 0.00 C ATOM 381 SG CYS A 153 -4.039 5.515 -4.714 1.00 0.00 S ATOM 0 H CYS A 153 -5.344 5.080 -6.693 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.855 7.388 -7.896 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.395 6.965 -5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.925 7.792 -5.522 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.255 5.999 -3.527 1.00 0.00 H new ATOM 386 N GLY A 154 -2.812 4.313 -7.316 1.00 0.00 N ATOM 387 CA GLY A 154 -1.817 3.326 -7.808 1.00 0.00 C ATOM 388 C GLY A 154 -0.788 3.062 -6.704 1.00 0.00 C ATOM 389 O GLY A 154 0.116 2.267 -6.869 1.00 0.00 O ATOM 0 H GLY A 154 -3.433 3.976 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.315 2.398 -8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.321 3.705 -8.702 1.00 0.00 H new ATOM 393 N HIS A 155 -0.923 3.709 -5.571 1.00 0.00 N ATOM 394 CA HIS A 155 0.053 3.465 -4.470 1.00 0.00 C ATOM 395 C HIS A 155 0.128 1.956 -4.245 1.00 0.00 C ATOM 396 O HIS A 155 -0.863 1.317 -3.953 1.00 0.00 O ATOM 397 CB HIS A 155 -0.412 4.145 -3.174 1.00 0.00 C ATOM 398 CG HIS A 155 -0.230 5.641 -3.255 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.217 6.520 -2.823 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.805 6.421 -3.705 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.749 7.768 -3.023 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.476 7.763 -3.558 1.00 0.00 N ATOM 0 H HIS A 155 -1.658 4.386 -5.365 1.00 0.00 H new ATOM 0 HA HIS A 155 1.026 3.874 -4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.461 3.912 -2.992 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.153 3.751 -2.329 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -2.124 6.268 -2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.734 6.049 -4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.298 8.665 -2.780 1.00 0.00 H new ATOM 409 N GLY A 156 1.280 1.373 -4.399 1.00 0.00 N ATOM 410 CA GLY A 156 1.385 -0.101 -4.216 1.00 0.00 C ATOM 411 C GLY A 156 1.873 -0.434 -2.804 1.00 0.00 C ATOM 412 O GLY A 156 2.955 -0.058 -2.398 1.00 0.00 O ATOM 0 H GLY A 156 2.149 1.848 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.414 -0.565 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.073 -0.516 -4.952 1.00 0.00 H new ATOM 416 N PHE A 157 1.078 -1.156 -2.066 1.00 0.00 N ATOM 417 CA PHE A 157 1.467 -1.553 -0.685 1.00 0.00 C ATOM 418 C PHE A 157 1.645 -3.066 -0.666 1.00 0.00 C ATOM 419 O PHE A 157 1.639 -3.703 -1.696 1.00 0.00 O ATOM 420 CB PHE A 157 0.358 -1.131 0.287 1.00 0.00 C ATOM 421 CG PHE A 157 0.184 0.359 0.187 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.671 0.893 -0.778 1.00 0.00 C ATOM 423 CD2 PHE A 157 0.888 1.208 1.048 1.00 0.00 C ATOM 424 CE1 PHE A 157 -0.826 2.274 -0.885 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.735 2.595 0.942 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.124 3.129 -0.026 1.00 0.00 C ATOM 0 H PHE A 157 0.163 -1.492 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 157 2.396 -1.070 -0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.575 -1.639 0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.618 -1.415 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.213 0.236 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.549 0.793 1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.489 2.686 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.278 3.252 1.605 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.245 4.199 -0.110 1.00 0.00 H new ATOM 436 N HIS A 158 1.813 -3.650 0.477 1.00 0.00 N ATOM 437 CA HIS A 158 2.000 -5.123 0.527 1.00 0.00 C ATOM 438 C HIS A 158 0.650 -5.811 0.636 1.00 0.00 C ATOM 439 O HIS A 158 -0.311 -5.235 1.083 1.00 0.00 O ATOM 440 CB HIS A 158 2.830 -5.479 1.751 1.00 0.00 C ATOM 441 CG HIS A 158 4.282 -5.472 1.374 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.173 -4.605 1.966 1.00 0.00 N ATOM 443 CD2 HIS A 158 5.002 -6.178 0.442 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.370 -4.794 1.391 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.325 -5.746 0.454 1.00 0.00 N ATOM 0 H HIS A 158 1.830 -3.176 1.380 1.00 0.00 H new ATOM 0 HA HIS A 158 2.505 -5.451 -0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.645 -4.764 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.543 -6.461 2.128 1.00 0.00 H new ATOM 0 HD1 HIS A 158 4.961 -3.939 2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.603 -6.949 -0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.262 -4.244 1.653 1.00 0.00 H new ATOM 452 N ALA A 159 0.571 -7.051 0.264 1.00 0.00 N ATOM 453 CA ALA A 159 -0.722 -7.757 0.404 1.00 0.00 C ATOM 454 C ALA A 159 -0.903 -8.054 1.891 1.00 0.00 C ATOM 455 O ALA A 159 -2.004 -8.164 2.394 1.00 0.00 O ATOM 456 CB ALA A 159 -0.691 -9.064 -0.391 1.00 0.00 C ATOM 0 H ALA A 159 1.336 -7.601 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.544 -7.151 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.646 -9.578 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.513 -8.845 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 159 0.109 -9.701 -0.013 1.00 0.00 H new ATOM 462 N GLU A 160 0.195 -8.172 2.594 1.00 0.00 N ATOM 463 CA GLU A 160 0.139 -8.447 4.056 1.00 0.00 C ATOM 464 C GLU A 160 -0.045 -7.134 4.825 1.00 0.00 C ATOM 465 O GLU A 160 -0.943 -7.005 5.630 1.00 0.00 O ATOM 466 CB GLU A 160 1.441 -9.117 4.499 1.00 0.00 C ATOM 467 CG GLU A 160 1.403 -10.601 4.129 1.00 0.00 C ATOM 468 CD GLU A 160 2.486 -10.897 3.090 1.00 0.00 C ATOM 469 OE1 GLU A 160 3.439 -10.137 3.025 1.00 0.00 O ATOM 470 OE2 GLU A 160 2.344 -11.875 2.376 1.00 0.00 O ATOM 0 H GLU A 160 1.136 -8.088 2.210 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.702 -9.108 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.292 -8.634 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.573 -9.003 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.560 -11.212 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.422 -10.862 3.732 1.00 0.00 H new ATOM 477 N CYS A 161 0.797 -6.155 4.592 1.00 0.00 N ATOM 478 CA CYS A 161 0.644 -4.868 5.328 1.00 0.00 C ATOM 479 C CYS A 161 -0.680 -4.227 4.935 1.00 0.00 C ATOM 480 O CYS A 161 -1.402 -3.714 5.761 1.00 0.00 O ATOM 481 CB CYS A 161 1.776 -3.900 4.981 1.00 0.00 C ATOM 482 SG CYS A 161 3.366 -4.736 5.040 1.00 0.00 S ATOM 0 H CYS A 161 1.573 -6.193 3.932 1.00 0.00 H new ATOM 0 HA CYS A 161 0.673 -5.076 6.398 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.614 -3.485 3.986 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.773 -3.063 5.680 1.00 0.00 H new ATOM 0 HG CYS A 161 4.319 -3.867 4.878 1.00 0.00 H new ATOM 487 N VAL A 162 -0.998 -4.245 3.673 1.00 0.00 N ATOM 488 CA VAL A 162 -2.279 -3.629 3.221 1.00 0.00 C ATOM 489 C VAL A 162 -3.449 -4.313 3.938 1.00 0.00 C ATOM 490 O VAL A 162 -4.448 -3.694 4.247 1.00 0.00 O ATOM 491 CB VAL A 162 -2.433 -3.794 1.705 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.849 -5.231 1.376 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.509 -2.829 1.202 1.00 0.00 C ATOM 0 H VAL A 162 -0.429 -4.658 2.934 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.274 -2.566 3.461 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.481 -3.576 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.957 -5.341 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.087 -5.922 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.800 -5.454 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.623 -2.941 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.456 -3.052 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.215 -1.805 1.431 1.00 0.00 H new ATOM 503 N ASP A 163 -3.330 -5.586 4.206 1.00 0.00 N ATOM 504 CA ASP A 163 -4.432 -6.310 4.903 1.00 0.00 C ATOM 505 C ASP A 163 -4.501 -5.850 6.360 1.00 0.00 C ATOM 506 O ASP A 163 -5.546 -5.480 6.855 1.00 0.00 O ATOM 507 CB ASP A 163 -4.163 -7.816 4.853 1.00 0.00 C ATOM 508 CG ASP A 163 -4.750 -8.398 3.565 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.001 -7.630 2.651 1.00 0.00 O ATOM 510 OD2 ASP A 163 -4.939 -9.602 3.515 1.00 0.00 O ATOM 0 H ASP A 163 -2.517 -6.156 3.972 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.380 -6.095 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.090 -8.006 4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.607 -8.304 5.720 1.00 0.00 H new ATOM 515 N MET A 164 -3.394 -5.865 7.049 1.00 0.00 N ATOM 516 CA MET A 164 -3.394 -5.420 8.469 1.00 0.00 C ATOM 517 C MET A 164 -3.805 -3.949 8.525 1.00 0.00 C ATOM 518 O MET A 164 -4.286 -3.462 9.529 1.00 0.00 O ATOM 519 CB MET A 164 -1.992 -5.585 9.061 1.00 0.00 C ATOM 520 CG MET A 164 -1.457 -6.978 8.726 1.00 0.00 C ATOM 521 SD MET A 164 -0.858 -7.774 10.237 1.00 0.00 S ATOM 522 CE MET A 164 0.289 -8.929 9.447 1.00 0.00 C ATOM 0 H MET A 164 -2.489 -6.167 6.689 1.00 0.00 H new ATOM 0 HA MET A 164 -4.096 -6.023 9.045 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.325 -4.822 8.661 1.00 0.00 H new ATOM 0 HB3 MET A 164 -2.023 -5.446 10.142 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.243 -7.581 8.271 1.00 0.00 H new ATOM 0 HG3 MET A 164 -0.650 -6.904 7.997 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.780 -9.533 10.210 1.00 0.00 H new ATOM 0 HE2 MET A 164 -0.261 -9.579 8.767 1.00 0.00 H new ATOM 0 HE3 MET A 164 1.040 -8.371 8.888 1.00 0.00 H new ATOM 532 N TRP A 165 -3.622 -3.240 7.445 1.00 0.00 N ATOM 533 CA TRP A 165 -4.001 -1.803 7.417 1.00 0.00 C ATOM 534 C TRP A 165 -5.499 -1.691 7.172 1.00 0.00 C ATOM 535 O TRP A 165 -6.128 -0.719 7.540 1.00 0.00 O ATOM 536 CB TRP A 165 -3.259 -1.094 6.286 1.00 0.00 C ATOM 537 CG TRP A 165 -3.687 0.338 6.233 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.657 0.839 5.426 1.00 0.00 C ATOM 539 CD2 TRP A 165 -3.179 1.461 7.009 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.757 2.206 5.650 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.873 2.630 6.619 1.00 0.00 C ATOM 542 CE3 TRP A 165 -2.188 1.578 8.001 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.593 3.869 7.190 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.906 2.826 8.580 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.607 3.969 8.175 1.00 0.00 C ATOM 0 H TRP A 165 -3.224 -3.598 6.577 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.739 -1.341 8.369 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -2.183 -1.158 6.446 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.469 -1.583 5.335 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.251 0.270 4.727 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.405 2.821 5.158 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.641 0.703 8.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -4.135 4.748 6.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -1.144 2.905 9.342 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -2.386 4.926 8.623 1.00 0.00 H new ATOM 556 N LEU A 166 -6.081 -2.686 6.565 1.00 0.00 N ATOM 557 CA LEU A 166 -7.537 -2.634 6.320 1.00 0.00 C ATOM 558 C LEU A 166 -8.192 -2.323 7.651 1.00 0.00 C ATOM 559 O LEU A 166 -8.801 -1.296 7.814 1.00 0.00 O ATOM 560 CB LEU A 166 -8.025 -3.987 5.793 1.00 0.00 C ATOM 561 CG LEU A 166 -7.902 -4.021 4.267 1.00 0.00 C ATOM 562 CD1 LEU A 166 -8.567 -5.290 3.730 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.596 -2.795 3.671 1.00 0.00 C ATOM 0 H LEU A 166 -5.609 -3.527 6.231 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.786 -1.877 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.438 -4.793 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.062 -4.151 6.088 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.848 -4.015 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -8.480 -5.315 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -8.075 -6.166 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -9.621 -5.295 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -8.508 -2.819 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.650 -2.802 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.125 -1.889 4.053 1.00 0.00 H new ATOM 575 N GLY A 167 -8.015 -3.202 8.605 1.00 0.00 N ATOM 576 CA GLY A 167 -8.569 -2.997 9.988 1.00 0.00 C ATOM 577 C GLY A 167 -9.677 -1.936 9.999 1.00 0.00 C ATOM 578 O GLY A 167 -9.541 -0.911 10.635 1.00 0.00 O ATOM 0 H GLY A 167 -7.499 -4.074 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -8.963 -3.940 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.767 -2.694 10.661 1.00 0.00 H new ATOM 582 N SER A 168 -10.751 -2.170 9.284 1.00 0.00 N ATOM 583 CA SER A 168 -11.876 -1.179 9.224 1.00 0.00 C ATOM 584 C SER A 168 -11.666 -0.253 8.024 1.00 0.00 C ATOM 585 O SER A 168 -12.533 -0.108 7.186 1.00 0.00 O ATOM 586 CB SER A 168 -11.944 -0.353 10.511 1.00 0.00 C ATOM 587 OG SER A 168 -11.151 0.817 10.358 1.00 0.00 O ATOM 0 H SER A 168 -10.899 -3.015 8.732 1.00 0.00 H new ATOM 0 HA SER A 168 -12.816 -1.719 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 168 -12.977 -0.081 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.585 -0.942 11.355 1.00 0.00 H new ATOM 0 HG SER A 168 -10.223 0.617 10.602 1.00 0.00 H new ATOM 593 N HIS A 169 -10.520 0.369 7.922 1.00 0.00 N ATOM 594 CA HIS A 169 -10.271 1.268 6.760 1.00 0.00 C ATOM 595 C HIS A 169 -10.113 0.413 5.502 1.00 0.00 C ATOM 596 O HIS A 169 -9.142 -0.299 5.339 1.00 0.00 O ATOM 597 CB HIS A 169 -8.974 2.064 6.989 1.00 0.00 C ATOM 598 CG HIS A 169 -9.052 2.788 8.305 1.00 0.00 C ATOM 599 ND1 HIS A 169 -8.210 2.487 9.365 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.866 3.800 8.751 1.00 0.00 C ATOM 601 CE1 HIS A 169 -8.532 3.304 10.383 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.535 4.125 10.063 1.00 0.00 N ATOM 0 H HIS A 169 -9.752 0.293 8.589 1.00 0.00 H new ATOM 0 HA HIS A 169 -11.106 1.959 6.646 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -8.117 1.391 6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.825 2.777 6.178 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -10.645 4.272 8.171 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -8.039 3.297 11.344 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.966 4.837 10.653 1.00 0.00 H new ATOM 610 N SER A 170 -11.058 0.486 4.605 1.00 0.00 N ATOM 611 CA SER A 170 -10.965 -0.311 3.349 1.00 0.00 C ATOM 612 C SER A 170 -10.522 0.618 2.227 1.00 0.00 C ATOM 613 O SER A 170 -11.157 0.721 1.196 1.00 0.00 O ATOM 614 CB SER A 170 -12.333 -0.906 3.015 1.00 0.00 C ATOM 615 OG SER A 170 -12.217 -1.737 1.868 1.00 0.00 O ATOM 0 H SER A 170 -11.893 1.065 4.688 1.00 0.00 H new ATOM 0 HA SER A 170 -10.249 -1.124 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.707 -1.484 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 170 -13.053 -0.109 2.830 1.00 0.00 H new ATOM 0 HG SER A 170 -11.902 -1.204 1.108 1.00 0.00 H new ATOM 621 N THR A 171 -9.447 1.319 2.438 1.00 0.00 N ATOM 622 CA THR A 171 -8.961 2.274 1.413 1.00 0.00 C ATOM 623 C THR A 171 -7.432 2.279 1.387 1.00 0.00 C ATOM 624 O THR A 171 -6.775 1.532 2.084 1.00 0.00 O ATOM 625 CB THR A 171 -9.465 3.680 1.749 1.00 0.00 C ATOM 626 OG1 THR A 171 -9.378 3.889 3.152 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.919 3.827 1.299 1.00 0.00 C ATOM 0 H THR A 171 -8.880 1.270 3.285 1.00 0.00 H new ATOM 0 HA THR A 171 -9.336 1.970 0.436 1.00 0.00 H new ATOM 0 HB THR A 171 -8.852 4.418 1.231 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.699 4.789 3.369 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.275 4.829 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.985 3.667 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.535 3.090 1.813 1.00 0.00 H new ATOM 635 N CYS A 172 -6.877 3.131 0.580 1.00 0.00 N ATOM 636 CA CYS A 172 -5.397 3.241 0.464 1.00 0.00 C ATOM 637 C CYS A 172 -4.861 3.831 1.778 1.00 0.00 C ATOM 638 O CYS A 172 -5.406 4.793 2.282 1.00 0.00 O ATOM 639 CB CYS A 172 -5.139 4.208 -0.688 1.00 0.00 C ATOM 640 SG CYS A 172 -3.438 4.142 -1.274 1.00 0.00 S ATOM 0 H CYS A 172 -7.397 3.772 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.913 2.281 0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.813 3.975 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.370 5.223 -0.365 1.00 0.00 H new ATOM 0 HG CYS A 172 -2.942 2.964 -1.035 1.00 0.00 H new ATOM 645 N PRO A 173 -3.832 3.221 2.320 1.00 0.00 N ATOM 646 CA PRO A 173 -3.246 3.657 3.605 1.00 0.00 C ATOM 647 C PRO A 173 -2.419 4.929 3.497 1.00 0.00 C ATOM 648 O PRO A 173 -2.231 5.624 4.476 1.00 0.00 O ATOM 649 CB PRO A 173 -2.333 2.501 4.001 1.00 0.00 C ATOM 650 CG PRO A 173 -2.018 1.727 2.706 1.00 0.00 C ATOM 651 CD PRO A 173 -3.149 2.052 1.715 1.00 0.00 C ATOM 0 HA PRO A 173 -4.033 3.886 4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.418 2.871 4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.821 1.854 4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -1.051 2.025 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.967 0.655 2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.757 2.287 0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.830 1.209 1.596 1.00 0.00 H new ATOM 659 N LEU A 174 -1.872 5.236 2.364 1.00 0.00 N ATOM 660 CA LEU A 174 -1.025 6.447 2.327 1.00 0.00 C ATOM 661 C LEU A 174 -1.820 7.683 1.899 1.00 0.00 C ATOM 662 O LEU A 174 -1.634 8.755 2.438 1.00 0.00 O ATOM 663 CB LEU A 174 0.143 6.228 1.365 1.00 0.00 C ATOM 664 CG LEU A 174 1.084 7.433 1.421 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.147 7.199 2.496 1.00 0.00 C ATOM 666 CD2 LEU A 174 1.764 7.611 0.062 1.00 0.00 C ATOM 0 H LEU A 174 -1.969 4.721 1.489 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.650 6.624 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.682 5.319 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.229 6.091 0.350 1.00 0.00 H new ATOM 0 HG LEU A 174 0.514 8.330 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.818 8.057 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.663 7.070 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.718 6.303 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.435 8.469 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.335 6.715 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.007 7.776 -0.705 1.00 0.00 H new ATOM 678 N CYS A 175 -2.701 7.563 0.950 1.00 0.00 N ATOM 679 CA CYS A 175 -3.478 8.761 0.537 1.00 0.00 C ATOM 680 C CYS A 175 -4.915 8.630 1.066 1.00 0.00 C ATOM 681 O CYS A 175 -5.455 9.570 1.607 1.00 0.00 O ATOM 682 CB CYS A 175 -3.438 8.904 -0.986 1.00 0.00 C ATOM 683 SG CYS A 175 -4.525 7.690 -1.748 1.00 0.00 S ATOM 0 H CYS A 175 -2.915 6.701 0.448 1.00 0.00 H new ATOM 0 HA CYS A 175 -3.040 9.665 0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.745 9.910 -1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.418 8.767 -1.345 1.00 0.00 H new ATOM 0 HG CYS A 175 -4.051 6.496 -1.547 1.00 0.00 H new ATOM 688 N ARG A 176 -5.505 7.459 0.929 1.00 0.00 N ATOM 689 CA ARG A 176 -6.894 7.185 1.430 1.00 0.00 C ATOM 690 C ARG A 176 -7.876 7.222 0.272 1.00 0.00 C ATOM 691 O ARG A 176 -9.015 7.623 0.407 1.00 0.00 O ATOM 692 CB ARG A 176 -7.315 8.172 2.523 1.00 0.00 C ATOM 693 CG ARG A 176 -6.320 8.079 3.686 1.00 0.00 C ATOM 694 CD ARG A 176 -6.528 9.257 4.638 1.00 0.00 C ATOM 695 NE ARG A 176 -6.207 10.529 3.931 1.00 0.00 N ATOM 696 CZ ARG A 176 -5.116 11.183 4.227 1.00 0.00 C ATOM 697 NH1 ARG A 176 -4.033 10.532 4.551 1.00 0.00 N ATOM 698 NH2 ARG A 176 -5.109 12.488 4.199 1.00 0.00 N ATOM 0 H ARG A 176 -5.064 6.659 0.476 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.898 6.191 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.337 9.187 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.323 7.943 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -6.457 7.139 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.299 8.083 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -7.559 9.275 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -5.892 9.146 5.516 1.00 0.00 H new ATOM 0 HE ARG A 176 -6.839 10.889 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -4.038 9.512 4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -3.181 11.043 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -5.956 12.997 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -4.257 12.999 4.430 1.00 0.00 H new ATOM 712 N LEU A 177 -7.440 6.761 -0.862 1.00 0.00 N ATOM 713 CA LEU A 177 -8.317 6.707 -2.044 1.00 0.00 C ATOM 714 C LEU A 177 -8.921 5.301 -2.111 1.00 0.00 C ATOM 715 O LEU A 177 -8.282 4.366 -2.551 1.00 0.00 O ATOM 716 CB LEU A 177 -7.475 6.964 -3.291 1.00 0.00 C ATOM 717 CG LEU A 177 -7.014 8.422 -3.317 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.819 8.561 -4.260 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.154 9.305 -3.822 1.00 0.00 C ATOM 0 H LEU A 177 -6.493 6.414 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 177 -9.107 7.455 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.611 6.300 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.057 6.742 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.727 8.729 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.490 9.600 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.004 7.928 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.111 8.254 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.828 10.345 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.436 8.995 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -9.012 9.206 -3.157 1.00 0.00 H new