USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 345 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: X 132 CYS SG : rot -142:sc= 0.355 USER MOD Set 1.2: X 135 CYS SG : rot 139:sc= 1.07 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -1.31 K(o=-0.68,f=-12!) USER MOD Set 1.4: X 157 CYS SG : rot -129:sc= -0.793 USER MOD Set 2.1: X 118 HIS : no HD1:sc= -0.663 K(o=-3.9,f=-19!) USER MOD Set 2.2: X 146 CYS SG : rot 170:sc= 0.75 USER MOD Set 2.3: X 148 ASN : amide:sc= -0.457 K(o=-3.9,f=-12!) USER MOD Set 2.4: X 149 CYS SG : rot -29:sc= -3.52! USER MOD Set 2.5: X 150 LYS NZ :NH3+ 147:sc= -0.563 (180deg=-2.04!) USER MOD Set 2.6: X 165 CYS SG : rot -9:sc= 0.589 USER MOD Single : X 142 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Single : X 152 THR OG1 : rot 60:sc= -0.904 USER MOD Single : X 153 CYS SG : rot 74:sc= 0.164 USER MOD Single : X 155 SER OG : rot 180:sc= 0 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc=-0.00547 X(o=-0.0055,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 12.907 -7.446 -5.244 1.00 0.00 N ATOM 153 CA HIS X 118 11.881 -7.896 -4.294 1.00 0.00 C ATOM 154 C HIS X 118 11.335 -9.289 -4.606 1.00 0.00 C ATOM 155 O HIS X 118 10.521 -9.457 -5.518 1.00 0.00 O ATOM 156 CB HIS X 118 10.658 -6.985 -4.281 1.00 0.00 C ATOM 157 CG HIS X 118 10.932 -5.541 -4.022 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.919 -5.066 -3.160 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.257 -4.450 -4.497 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.820 -3.713 -3.203 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.833 -3.335 -3.995 1.00 0.00 N ATOM 0 HA HIS X 118 12.404 -7.887 -3.338 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.151 -7.073 -5.242 1.00 0.00 H new ATOM 0 HB3 HIS X 118 9.966 -7.347 -3.521 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.406 -4.475 -5.162 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.463 -3.035 -2.661 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.555 -2.374 -4.193 1.00 0.00 H new ATOM 169 N ARG X 119 11.749 -10.291 -3.849 1.00 0.00 N ATOM 170 CA ARG X 119 11.246 -11.646 -4.071 1.00 0.00 C ATOM 171 C ARG X 119 9.755 -11.761 -3.815 1.00 0.00 C ATOM 172 O ARG X 119 9.077 -12.513 -4.507 1.00 0.00 O ATOM 173 CB ARG X 119 12.079 -12.688 -3.315 1.00 0.00 C ATOM 174 CG ARG X 119 12.116 -12.557 -1.803 1.00 0.00 C ATOM 175 CD ARG X 119 13.096 -13.554 -1.191 1.00 0.00 C ATOM 176 NE ARG X 119 14.456 -13.245 -1.640 1.00 0.00 N ATOM 177 CZ ARG X 119 15.554 -13.830 -1.206 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.504 -14.757 -0.287 1.00 0.00 N ATOM 179 NH2 ARG X 119 16.700 -13.475 -1.704 1.00 0.00 N ATOM 0 H ARG X 119 12.420 -10.201 -3.087 1.00 0.00 H new ATOM 0 HA ARG X 119 11.370 -11.869 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG X 119 11.694 -13.677 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.103 -12.642 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.406 -11.542 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.119 -12.725 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG X 119 13.043 -13.511 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG X 119 12.828 -14.569 -1.483 1.00 0.00 H new ATOM 0 HE ARG X 119 14.562 -12.517 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG X 119 14.605 -15.038 0.106 1.00 0.00 H new ATOM 0 HH12 ARG X 119 16.363 -15.200 0.038 1.00 0.00 H new ATOM 0 HH21 ARG X 119 16.742 -12.752 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG X 119 17.558 -13.920 -1.377 1.00 0.00 H new ATOM 193 N PHE X 120 9.253 -11.026 -2.823 1.00 0.00 N ATOM 194 CA PHE X 120 7.815 -11.048 -2.489 1.00 0.00 C ATOM 195 C PHE X 120 7.386 -12.492 -2.254 1.00 0.00 C ATOM 196 O PHE X 120 6.519 -13.037 -2.931 1.00 0.00 O ATOM 197 CB PHE X 120 6.941 -10.367 -3.537 1.00 0.00 C ATOM 198 CG PHE X 120 7.024 -8.866 -3.539 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.534 -8.144 -2.461 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.520 -8.175 -4.625 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.553 -6.764 -2.466 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.520 -6.789 -4.638 1.00 0.00 C ATOM 203 CZ PHE X 120 7.041 -6.088 -3.557 1.00 0.00 C ATOM 0 H PHE X 120 9.812 -10.408 -2.234 1.00 0.00 H new ATOM 0 HA PHE X 120 7.672 -10.466 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.225 -10.735 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE X 120 5.904 -10.661 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.132 -8.668 -1.607 1.00 0.00 H new ATOM 0 HD2 PHE X 120 7.912 -8.718 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.184 -6.216 -1.612 1.00 0.00 H new ATOM 0 HE2 PHE X 120 7.897 -6.258 -5.500 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.048 -5.008 -3.566 1.00 0.00 H new ATOM 213 N VAL X 121 8.038 -13.120 -1.299 1.00 0.00 N ATOM 214 CA VAL X 121 7.743 -14.530 -0.979 1.00 0.00 C ATOM 215 C VAL X 121 6.426 -14.718 -0.249 1.00 0.00 C ATOM 216 O VAL X 121 6.217 -14.202 0.837 1.00 0.00 O ATOM 217 CB VAL X 121 8.883 -15.272 -0.224 1.00 0.00 C ATOM 218 CG1 VAL X 121 9.984 -15.633 -1.196 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.472 -14.430 0.895 1.00 0.00 C ATOM 0 H VAL X 121 8.770 -12.697 -0.728 1.00 0.00 H new ATOM 0 HA VAL X 121 7.658 -14.995 -1.961 1.00 0.00 H new ATOM 0 HB VAL X 121 8.450 -16.169 0.219 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.782 -16.153 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.583 -16.282 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.381 -14.725 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.264 -14.989 1.393 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.884 -13.510 0.480 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.692 -14.186 1.616 1.00 0.00 H new ATOM 229 N GLU X 122 5.527 -15.453 -0.882 1.00 0.00 N ATOM 230 CA GLU X 122 4.207 -15.716 -0.316 1.00 0.00 C ATOM 231 C GLU X 122 4.296 -16.359 1.061 1.00 0.00 C ATOM 232 O GLU X 122 5.060 -17.303 1.261 1.00 0.00 O ATOM 233 CB GLU X 122 3.429 -16.659 -1.231 1.00 0.00 C ATOM 234 CG GLU X 122 3.074 -16.045 -2.562 1.00 0.00 C ATOM 235 CD GLU X 122 2.348 -17.011 -3.481 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.443 -18.226 -3.240 1.00 0.00 O ATOM 237 OE2 GLU X 122 1.991 -16.546 -4.584 1.00 0.00 O ATOM 0 H GLU X 122 5.685 -15.882 -1.794 1.00 0.00 H new ATOM 0 HA GLU X 122 3.701 -14.755 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU X 122 4.020 -17.559 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU X 122 2.514 -16.969 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU X 122 2.448 -15.168 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU X 122 3.984 -15.699 -3.052 1.00 0.00 H new ATOM 244 N LEU X 123 3.523 -15.860 2.014 1.00 0.00 N ATOM 245 CA LEU X 123 3.553 -16.440 3.349 1.00 0.00 C ATOM 246 C LEU X 123 2.820 -17.776 3.393 1.00 0.00 C ATOM 247 O LEU X 123 1.927 -18.046 2.600 1.00 0.00 O ATOM 248 CB LEU X 123 2.956 -15.486 4.380 1.00 0.00 C ATOM 249 CG LEU X 123 3.739 -14.201 4.647 1.00 0.00 C ATOM 250 CD1 LEU X 123 3.043 -13.511 5.780 1.00 0.00 C ATOM 251 CD2 LEU X 123 5.186 -14.460 5.027 1.00 0.00 C ATOM 0 H LEU X 123 2.883 -15.075 1.894 1.00 0.00 H new ATOM 0 HA LEU X 123 4.600 -16.613 3.598 1.00 0.00 H new ATOM 0 HB2 LEU X 123 1.953 -15.213 4.053 1.00 0.00 H new ATOM 0 HB3 LEU X 123 2.849 -16.024 5.322 1.00 0.00 H new ATOM 0 HG LEU X 123 3.765 -13.599 3.738 1.00 0.00 H new ATOM 0 HD11 LEU X 123 3.563 -12.582 6.014 1.00 0.00 H new ATOM 0 HD12 LEU X 123 2.015 -13.290 5.495 1.00 0.00 H new ATOM 0 HD13 LEU X 123 3.045 -14.159 6.657 1.00 0.00 H new ATOM 0 HD21 LEU X 123 5.691 -13.511 5.204 1.00 0.00 H new ATOM 0 HD22 LEU X 123 5.222 -15.065 5.933 1.00 0.00 H new ATOM 0 HD23 LEU X 123 5.686 -14.991 4.217 1.00 0.00 H new ATOM 330 N PRO X 129 -7.521 -15.118 7.247 1.00 0.00 N ATOM 331 CA PRO X 129 -6.986 -13.784 6.953 1.00 0.00 C ATOM 332 C PRO X 129 -5.472 -13.657 7.045 1.00 0.00 C ATOM 333 O PRO X 129 -4.782 -14.476 7.646 1.00 0.00 O ATOM 334 CB PRO X 129 -7.603 -12.926 8.067 1.00 0.00 C ATOM 335 CG PRO X 129 -7.744 -13.876 9.198 1.00 0.00 C ATOM 336 CD PRO X 129 -8.212 -15.144 8.548 1.00 0.00 C ATOM 0 HA PRO X 129 -7.224 -13.506 5.926 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.961 -12.084 8.327 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.566 -12.512 7.768 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.798 -14.020 9.719 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.462 -13.516 9.935 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.940 -16.023 9.133 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.295 -15.162 8.430 1.00 0.00 H new ATOM 344 N GLY X 130 -4.973 -12.581 6.466 1.00 0.00 N ATOM 345 CA GLY X 130 -3.561 -12.264 6.490 1.00 0.00 C ATOM 346 C GLY X 130 -3.645 -10.767 6.409 1.00 0.00 C ATOM 347 O GLY X 130 -4.709 -10.283 6.056 1.00 0.00 O ATOM 0 H GLY X 130 -5.541 -11.899 5.963 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -3.069 -12.608 7.400 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -3.019 -12.700 5.651 1.00 0.00 H new ATOM 351 N TRP X 131 -2.598 -10.026 6.721 1.00 0.00 N ATOM 352 CA TRP X 131 -2.671 -8.565 6.684 1.00 0.00 C ATOM 353 C TRP X 131 -1.556 -7.908 5.866 1.00 0.00 C ATOM 354 O TRP X 131 -0.396 -8.271 6.013 1.00 0.00 O ATOM 355 CB TRP X 131 -2.655 -8.099 8.141 1.00 0.00 C ATOM 356 CG TRP X 131 -3.924 -8.588 8.830 1.00 0.00 C ATOM 357 CD1 TRP X 131 -4.136 -9.795 9.436 1.00 0.00 C ATOM 358 CD2 TRP X 131 -5.167 -7.872 8.957 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.420 -9.884 9.902 1.00 0.00 N ATOM 360 CE2 TRP X 131 -6.078 -8.720 9.625 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.596 -6.606 8.572 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.386 -8.337 9.897 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.893 -6.216 8.850 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.780 -7.085 9.505 1.00 0.00 C ATOM 0 H TRP X 131 -1.692 -10.401 7.001 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.583 -8.259 6.171 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.775 -8.489 8.652 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.595 -7.012 8.188 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -3.392 -10.572 9.534 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.821 -10.691 10.380 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.922 -5.934 8.061 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -8.069 -9.005 10.401 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.228 -5.231 8.560 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.791 -6.761 9.703 1.00 0.00 H new ATOM 375 N CYS X 132 -1.907 -6.961 5.005 1.00 0.00 N ATOM 376 CA CYS X 132 -0.921 -6.245 4.194 1.00 0.00 C ATOM 377 C CYS X 132 -0.289 -5.248 5.156 1.00 0.00 C ATOM 378 O CYS X 132 -0.940 -4.264 5.483 1.00 0.00 O ATOM 379 CB CYS X 132 -1.629 -5.525 3.048 1.00 0.00 C ATOM 380 SG CYS X 132 -0.564 -4.513 2.022 1.00 0.00 S ATOM 0 H CYS X 132 -2.871 -6.667 4.847 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.176 -6.902 3.745 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.117 -6.268 2.418 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.415 -4.894 3.464 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.196 -3.432 1.674 1.00 0.00 H new ATOM 385 N ASP X 133 0.955 -5.467 5.568 1.00 0.00 N ATOM 386 CA ASP X 133 1.627 -4.575 6.550 1.00 0.00 C ATOM 387 C ASP X 133 1.460 -3.129 6.123 1.00 0.00 C ATOM 388 O ASP X 133 1.144 -2.244 6.910 1.00 0.00 O ATOM 389 CB ASP X 133 3.129 -4.844 6.599 1.00 0.00 C ATOM 390 CG ASP X 133 3.474 -6.272 6.990 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.671 -6.901 7.699 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.624 -6.678 6.671 1.00 0.00 O ATOM 0 H ASP X 133 1.530 -6.247 5.248 1.00 0.00 H new ATOM 0 HA ASP X 133 1.175 -4.765 7.524 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.561 -4.628 5.622 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.590 -4.159 7.310 1.00 0.00 H new ATOM 397 N LEU X 134 1.679 -2.930 4.840 1.00 0.00 N ATOM 398 CA LEU X 134 1.550 -1.646 4.190 1.00 0.00 C ATOM 399 C LEU X 134 0.149 -1.019 4.324 1.00 0.00 C ATOM 400 O LEU X 134 0.018 0.142 4.704 1.00 0.00 O ATOM 401 CB LEU X 134 1.897 -1.874 2.722 1.00 0.00 C ATOM 402 CG LEU X 134 1.384 -0.884 1.685 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.915 0.511 1.883 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.797 -1.403 0.357 1.00 0.00 C ATOM 0 H LEU X 134 1.959 -3.678 4.205 1.00 0.00 H new ATOM 0 HA LEU X 134 2.220 -0.933 4.671 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.984 -1.904 2.640 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.529 -2.862 2.445 1.00 0.00 H new ATOM 0 HG LEU X 134 0.301 -0.802 1.777 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.511 1.167 1.112 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.616 0.878 2.865 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.003 0.499 1.816 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.451 -0.724 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.884 -1.477 0.317 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.360 -2.389 0.200 1.00 0.00 H new ATOM 416 N CYS X 135 -0.890 -1.775 3.988 1.00 0.00 N ATOM 417 CA CYS X 135 -2.256 -1.241 4.050 1.00 0.00 C ATOM 418 C CYS X 135 -2.929 -1.267 5.424 1.00 0.00 C ATOM 419 O CYS X 135 -3.785 -0.438 5.736 1.00 0.00 O ATOM 420 CB CYS X 135 -3.149 -2.022 3.074 1.00 0.00 C ATOM 421 SG CYS X 135 -2.788 -1.708 1.372 1.00 0.00 S ATOM 0 H CYS X 135 -0.822 -2.743 3.674 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.149 -0.188 3.789 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.038 -3.089 3.269 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.191 -1.769 3.268 1.00 0.00 H new ATOM 0 HG CYS X 135 -2.832 -2.824 0.706 1.00 0.00 H new ATOM 426 N GLY X 136 -2.581 -2.260 6.218 1.00 0.00 N ATOM 427 CA GLY X 136 -3.191 -2.438 7.520 1.00 0.00 C ATOM 428 C GLY X 136 -4.531 -3.119 7.295 1.00 0.00 C ATOM 429 O GLY X 136 -5.324 -3.297 8.219 1.00 0.00 O ATOM 0 H GLY X 136 -1.876 -2.959 5.983 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.554 -3.044 8.164 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.326 -1.477 8.017 1.00 0.00 H new ATOM 433 N ARG X 137 -4.794 -3.472 6.037 1.00 0.00 N ATOM 434 CA ARG X 137 -6.041 -4.128 5.631 1.00 0.00 C ATOM 435 C ARG X 137 -5.783 -5.590 5.308 1.00 0.00 C ATOM 436 O ARG X 137 -4.696 -5.948 4.858 1.00 0.00 O ATOM 437 CB ARG X 137 -6.614 -3.465 4.370 1.00 0.00 C ATOM 438 CG ARG X 137 -6.822 -1.944 4.440 1.00 0.00 C ATOM 439 CD ARG X 137 -7.807 -1.528 5.518 1.00 0.00 C ATOM 440 NE ARG X 137 -7.150 -1.395 6.821 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.570 -0.290 7.257 1.00 0.00 C ATOM 442 NH1 ARG X 137 -6.564 0.793 6.528 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.996 -0.278 8.428 1.00 0.00 N ATOM 0 H ARG X 137 -4.146 -3.311 5.266 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.747 -4.037 6.457 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.947 -3.682 3.535 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.572 -3.932 4.142 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.863 -1.460 4.626 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -7.178 -1.587 3.474 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.270 -0.580 5.244 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.607 -2.265 5.586 1.00 0.00 H new ATOM 0 HE ARG X 137 -7.139 -2.211 7.433 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -7.010 0.793 5.611 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -6.113 1.639 6.876 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -5.995 -1.120 9.004 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.548 0.573 8.767 1.00 0.00 H new ATOM 457 N GLU X 138 -6.776 -6.429 5.538 1.00 0.00 N ATOM 458 CA GLU X 138 -6.659 -7.857 5.260 1.00 0.00 C ATOM 459 C GLU X 138 -6.396 -8.169 3.781 1.00 0.00 C ATOM 460 O GLU X 138 -6.905 -7.504 2.875 1.00 0.00 O ATOM 461 CB GLU X 138 -7.892 -8.608 5.768 1.00 0.00 C ATOM 462 CG GLU X 138 -9.201 -8.191 5.122 1.00 0.00 C ATOM 463 CD GLU X 138 -10.383 -8.932 5.721 1.00 0.00 C ATOM 464 OE1 GLU X 138 -10.300 -10.176 5.813 1.00 0.00 O ATOM 465 OE2 GLU X 138 -11.321 -8.234 6.163 1.00 0.00 O ATOM 0 H GLU X 138 -7.680 -6.148 5.919 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.781 -8.207 5.803 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.744 -9.675 5.602 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.971 -8.461 6.845 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.343 -7.118 5.247 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -9.156 -8.384 4.050 1.00 0.00 H new ATOM 472 N VAL X 139 -5.590 -9.192 3.551 1.00 0.00 N ATOM 473 CA VAL X 139 -5.233 -9.646 2.209 1.00 0.00 C ATOM 474 C VAL X 139 -6.053 -10.872 1.786 1.00 0.00 C ATOM 475 O VAL X 139 -5.856 -11.976 2.274 1.00 0.00 O ATOM 476 CB VAL X 139 -3.707 -9.983 2.091 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.885 -8.745 2.189 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.241 -10.926 3.177 1.00 0.00 C ATOM 0 H VAL X 139 -5.158 -9.739 4.296 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.463 -8.817 1.540 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.579 -10.461 1.120 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.829 -9.002 2.105 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.158 -8.062 1.384 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.066 -8.263 3.150 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.177 -11.128 3.051 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.411 -10.470 4.152 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.798 -11.860 3.111 1.00 0.00 H new ATOM 488 N LEU X 140 -6.993 -10.671 0.875 1.00 0.00 N ATOM 489 CA LEU X 140 -7.820 -11.779 0.380 1.00 0.00 C ATOM 490 C LEU X 140 -6.919 -12.834 -0.284 1.00 0.00 C ATOM 491 O LEU X 140 -7.182 -14.031 -0.242 1.00 0.00 O ATOM 492 CB LEU X 140 -8.898 -11.285 -0.609 1.00 0.00 C ATOM 493 CG LEU X 140 -8.511 -10.611 -1.944 1.00 0.00 C ATOM 494 CD1 LEU X 140 -9.791 -10.271 -2.663 1.00 0.00 C ATOM 495 CD2 LEU X 140 -7.695 -9.327 -1.807 1.00 0.00 C ATOM 0 H LEU X 140 -7.207 -9.763 0.462 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.340 -12.227 1.227 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.521 -12.144 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.528 -10.579 -0.067 1.00 0.00 H new ATOM 0 HG LEU X 140 -7.876 -11.318 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -9.558 -9.792 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.359 -11.183 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -10.383 -9.592 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -7.473 -8.930 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.266 -8.591 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -6.763 -9.542 -1.285 1.00 0.00 H new ATOM 507 N ARG X 141 -5.851 -12.357 -0.908 1.00 0.00 N ATOM 508 CA ARG X 141 -4.880 -13.217 -1.582 1.00 0.00 C ATOM 509 C ARG X 141 -3.751 -13.532 -0.605 1.00 0.00 C ATOM 510 O ARG X 141 -3.559 -12.821 0.358 1.00 0.00 O ATOM 511 CB ARG X 141 -4.320 -12.479 -2.800 1.00 0.00 C ATOM 512 CG ARG X 141 -4.465 -13.236 -4.123 1.00 0.00 C ATOM 513 CD ARG X 141 -3.583 -14.483 -4.206 1.00 0.00 C ATOM 514 NE ARG X 141 -2.162 -14.137 -4.156 1.00 0.00 N ATOM 515 CZ ARG X 141 -1.178 -15.015 -4.245 1.00 0.00 C ATOM 516 NH1 ARG X 141 -1.421 -16.284 -4.401 1.00 0.00 N ATOM 517 NH2 ARG X 141 0.052 -14.612 -4.183 1.00 0.00 N ATOM 0 H ARG X 141 -5.630 -11.363 -0.963 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.353 -14.143 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -4.824 -11.517 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.264 -12.271 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -5.507 -13.527 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -4.214 -12.567 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -3.824 -15.156 -3.383 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -3.796 -15.020 -5.130 1.00 0.00 H new ATOM 0 HE ARG X 141 -1.915 -13.154 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -2.384 -16.616 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -0.649 -16.947 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG X 141 0.258 -13.620 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG X 141 0.814 -15.287 -4.251 1.00 0.00 H new ATOM 531 N GLN X 142 -2.983 -14.574 -0.874 1.00 0.00 N ATOM 532 CA GLN X 142 -1.863 -14.947 -0.026 1.00 0.00 C ATOM 533 C GLN X 142 -0.868 -13.805 -0.092 1.00 0.00 C ATOM 534 O GLN X 142 -0.379 -13.435 -1.163 1.00 0.00 O ATOM 535 CB GLN X 142 -1.229 -16.262 -0.489 1.00 0.00 C ATOM 536 CG GLN X 142 -2.114 -17.497 -0.255 1.00 0.00 C ATOM 537 CD GLN X 142 -3.380 -17.487 -1.086 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.342 -17.306 -2.298 1.00 0.00 O ATOM 539 NE2 GLN X 142 -4.504 -17.652 -0.439 1.00 0.00 N ATOM 0 H GLN X 142 -3.117 -15.182 -1.682 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.194 -15.114 0.999 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -0.999 -16.188 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.282 -16.401 0.033 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.542 -18.396 -0.486 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.380 -17.551 0.801 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -4.495 -17.800 0.570 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -5.390 -17.633 -0.943 1.00 0.00 H new ATOM 548 N ALA X 143 -0.616 -13.235 1.070 1.00 0.00 N ATOM 549 CA ALA X 143 0.285 -12.118 1.234 1.00 0.00 C ATOM 550 C ALA X 143 1.673 -12.418 0.703 1.00 0.00 C ATOM 551 O ALA X 143 2.222 -13.490 0.951 1.00 0.00 O ATOM 552 CB ALA X 143 0.328 -11.761 2.627 1.00 0.00 C ATOM 0 H ALA X 143 -1.043 -13.544 1.943 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.089 -11.278 0.648 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.005 -10.918 2.766 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.671 -11.483 2.962 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.683 -12.611 3.210 1.00 0.00 H new ATOM 558 N LEU X 144 2.222 -11.483 -0.052 1.00 0.00 N ATOM 559 CA LEU X 144 3.546 -11.655 -0.647 1.00 0.00 C ATOM 560 C LEU X 144 4.555 -10.792 0.076 1.00 0.00 C ATOM 561 O LEU X 144 4.399 -9.582 0.148 1.00 0.00 O ATOM 562 CB LEU X 144 3.492 -11.284 -2.100 1.00 0.00 C ATOM 563 CG LEU X 144 2.513 -12.131 -2.906 1.00 0.00 C ATOM 564 CD1 LEU X 144 1.402 -11.303 -3.461 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.297 -12.762 -4.016 1.00 0.00 C ATOM 0 H LEU X 144 1.774 -10.593 -0.271 1.00 0.00 H new ATOM 0 HA LEU X 144 3.852 -12.697 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.212 -10.234 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.488 -11.385 -2.530 1.00 0.00 H new ATOM 0 HG LEU X 144 2.053 -12.885 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU X 144 0.723 -11.939 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU X 144 0.857 -10.830 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU X 144 1.813 -10.534 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU X 144 2.636 -13.381 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU X 144 3.738 -11.983 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU X 144 4.089 -13.382 -3.595 1.00 0.00 H new ATOM 577 N ARG X 145 5.583 -11.415 0.628 1.00 0.00 N ATOM 578 CA ARG X 145 6.566 -10.672 1.421 1.00 0.00 C ATOM 579 C ARG X 145 7.935 -10.479 0.859 1.00 0.00 C ATOM 580 O ARG X 145 8.697 -11.424 0.750 1.00 0.00 O ATOM 581 CB ARG X 145 6.749 -11.337 2.791 1.00 0.00 C ATOM 582 CG ARG X 145 7.681 -10.508 3.694 1.00 0.00 C ATOM 583 CD ARG X 145 7.869 -11.057 5.079 1.00 0.00 C ATOM 584 NE ARG X 145 8.734 -10.138 5.823 1.00 0.00 N ATOM 585 CZ ARG X 145 9.099 -10.304 7.080 1.00 0.00 C ATOM 586 NH1 ARG X 145 8.698 -11.347 7.753 1.00 0.00 N ATOM 587 NH2 ARG X 145 9.867 -9.418 7.654 1.00 0.00 N ATOM 0 H ARG X 145 5.763 -12.416 0.548 1.00 0.00 H new ATOM 0 HA ARG X 145 6.118 -9.679 1.451 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.779 -11.453 3.274 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.161 -12.338 2.660 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.656 -10.432 3.213 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.284 -9.496 3.771 1.00 0.00 H new ATOM 0 HD2 ARG X 145 6.907 -11.162 5.580 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.317 -12.050 5.037 1.00 0.00 H new ATOM 0 HE ARG X 145 9.078 -9.311 5.335 1.00 0.00 H new ATOM 0 HH11 ARG X 145 8.098 -12.041 7.308 1.00 0.00 H new ATOM 0 HH12 ARG X 145 8.985 -11.468 8.724 1.00 0.00 H new ATOM 0 HH21 ARG X 145 10.183 -8.601 7.131 1.00 0.00 H new ATOM 0 HH22 ARG X 145 10.151 -9.543 8.626 1.00 0.00 H new ATOM 601 N CYS X 146 8.290 -9.253 0.539 1.00 0.00 N ATOM 602 CA CYS X 146 9.634 -8.996 0.079 1.00 0.00 C ATOM 603 C CYS X 146 10.532 -9.003 1.335 1.00 0.00 C ATOM 604 O CYS X 146 10.811 -7.985 1.964 1.00 0.00 O ATOM 605 CB CYS X 146 9.655 -7.717 -0.721 1.00 0.00 C ATOM 606 SG CYS X 146 11.297 -6.945 -0.889 1.00 0.00 S ATOM 0 H CYS X 146 7.681 -8.436 0.587 1.00 0.00 H new ATOM 0 HA CYS X 146 10.016 -9.753 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.262 -7.922 -1.717 1.00 0.00 H new ATOM 0 HB3 CYS X 146 8.979 -7.001 -0.253 1.00 0.00 H new ATOM 0 HG CYS X 146 11.238 -5.985 -1.764 1.00 0.00 H new ATOM 611 N ALA X 147 10.930 -10.212 1.702 1.00 0.00 N ATOM 612 CA ALA X 147 11.766 -10.480 2.858 1.00 0.00 C ATOM 613 C ALA X 147 13.143 -9.873 2.674 1.00 0.00 C ATOM 614 O ALA X 147 13.954 -9.878 3.587 1.00 0.00 O ATOM 615 CB ALA X 147 11.872 -11.983 3.072 1.00 0.00 C ATOM 0 H ALA X 147 10.672 -11.055 1.189 1.00 0.00 H new ATOM 0 HA ALA X 147 11.311 -10.024 3.737 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.500 -12.184 3.940 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.878 -12.398 3.240 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.314 -12.446 2.190 1.00 0.00 H new ATOM 621 N ASN X 148 13.406 -9.379 1.472 1.00 0.00 N ATOM 622 CA ASN X 148 14.680 -8.761 1.173 1.00 0.00 C ATOM 623 C ASN X 148 14.855 -7.523 2.005 1.00 0.00 C ATOM 624 O ASN X 148 15.974 -7.137 2.301 1.00 0.00 O ATOM 625 CB ASN X 148 14.792 -8.278 -0.275 1.00 0.00 C ATOM 626 CG ASN X 148 14.305 -9.269 -1.283 1.00 0.00 C ATOM 627 OD1 ASN X 148 13.116 -9.474 -1.410 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.198 -9.856 -2.021 1.00 0.00 N ATOM 0 H ASN X 148 12.750 -9.397 0.691 1.00 0.00 H new ATOM 0 HA ASN X 148 15.426 -9.531 1.373 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.224 -7.354 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN X 148 15.834 -8.039 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN X 148 14.909 -10.518 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.188 -9.655 -1.881 1.00 0.00 H new ATOM 635 N CYS X 149 13.746 -6.881 2.351 1.00 0.00 N ATOM 636 CA CYS X 149 13.842 -5.643 3.073 1.00 0.00 C ATOM 637 C CYS X 149 12.579 -5.144 3.758 1.00 0.00 C ATOM 638 O CYS X 149 12.591 -4.687 4.904 1.00 0.00 O ATOM 639 CB CYS X 149 14.237 -4.618 1.988 1.00 0.00 C ATOM 640 SG CYS X 149 13.180 -4.667 0.485 1.00 0.00 S ATOM 0 H CYS X 149 12.798 -7.196 2.145 1.00 0.00 H new ATOM 0 HA CYS X 149 14.542 -5.785 3.897 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.193 -3.617 2.417 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.272 -4.795 1.696 1.00 0.00 H new ATOM 0 HG CYS X 149 12.713 -5.869 0.322 1.00 0.00 H new ATOM 645 N LYS X 150 11.506 -5.182 3.001 1.00 0.00 N ATOM 646 CA LYS X 150 10.217 -4.653 3.447 1.00 0.00 C ATOM 647 C LYS X 150 9.133 -5.549 4.092 1.00 0.00 C ATOM 648 O LYS X 150 9.353 -6.189 5.118 1.00 0.00 O ATOM 649 CB LYS X 150 9.685 -3.791 2.301 1.00 0.00 C ATOM 650 CG LYS X 150 10.639 -2.639 2.021 1.00 0.00 C ATOM 651 CD LYS X 150 10.248 -1.745 0.880 1.00 0.00 C ATOM 652 CE LYS X 150 10.442 -2.360 -0.523 1.00 0.00 C ATOM 653 NZ LYS X 150 9.556 -3.518 -0.904 1.00 0.00 N ATOM 0 H LYS X 150 11.492 -5.577 2.061 1.00 0.00 H new ATOM 0 HA LYS X 150 10.457 -4.112 4.362 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.565 -4.399 1.404 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.699 -3.402 2.556 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.725 -2.033 2.923 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.628 -3.049 1.817 1.00 0.00 H new ATOM 0 HD2 LYS X 150 9.201 -1.467 0.997 1.00 0.00 H new ATOM 0 HD3 LYS X 150 10.830 -0.826 0.942 1.00 0.00 H new ATOM 0 HE2 LYS X 150 10.298 -1.570 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS X 150 11.478 -2.688 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 9.360 -3.484 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 10.034 -4.412 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 8.661 -3.458 -0.378 1.00 0.00 H new ATOM 667 N PHE X 151 7.940 -5.510 3.514 1.00 0.00 N ATOM 668 CA PHE X 151 6.751 -6.180 4.037 1.00 0.00 C ATOM 669 C PHE X 151 6.008 -7.241 3.245 1.00 0.00 C ATOM 670 O PHE X 151 6.340 -7.539 2.099 1.00 0.00 O ATOM 671 CB PHE X 151 5.752 -5.045 4.225 1.00 0.00 C ATOM 672 CG PHE X 151 5.689 -4.077 3.074 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.175 -4.458 1.845 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.125 -2.773 3.234 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.108 -3.560 0.803 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.054 -1.875 2.191 1.00 0.00 C ATOM 677 CZ PHE X 151 5.541 -2.271 0.979 1.00 0.00 C ATOM 0 H PHE X 151 7.765 -5.000 2.648 1.00 0.00 H new ATOM 0 HA PHE X 151 7.124 -6.748 4.889 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.761 -5.471 4.380 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.009 -4.497 5.131 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.823 -5.469 1.703 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.525 -2.456 4.186 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.714 -3.871 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.401 -0.861 2.326 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.479 -1.565 0.164 1.00 0.00 H new ATOM 687 N THR X 152 4.953 -7.766 3.876 1.00 0.00 N ATOM 688 CA THR X 152 4.070 -8.762 3.277 1.00 0.00 C ATOM 689 C THR X 152 2.788 -8.034 2.844 1.00 0.00 C ATOM 690 O THR X 152 1.937 -7.686 3.630 1.00 0.00 O ATOM 691 CB THR X 152 3.826 -9.955 4.250 1.00 0.00 C ATOM 692 OG1 THR X 152 3.103 -10.970 3.567 1.00 0.00 O ATOM 693 CG2 THR X 152 3.056 -9.593 5.486 1.00 0.00 C ATOM 0 H THR X 152 4.689 -7.506 4.826 1.00 0.00 H new ATOM 0 HA THR X 152 4.521 -9.219 2.396 1.00 0.00 H new ATOM 0 HB THR X 152 4.813 -10.288 4.571 1.00 0.00 H new ATOM 0 HG1 THR X 152 3.620 -11.275 2.792 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.930 -10.479 6.109 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.601 -8.832 6.044 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.077 -9.205 5.204 1.00 0.00 H new ATOM 701 N CYS X 153 2.709 -7.745 1.557 1.00 0.00 N ATOM 702 CA CYS X 153 1.603 -6.972 0.991 1.00 0.00 C ATOM 703 C CYS X 153 0.623 -7.671 0.043 1.00 0.00 C ATOM 704 O CYS X 153 0.868 -8.802 -0.415 1.00 0.00 O ATOM 705 CB CYS X 153 2.246 -5.862 0.175 1.00 0.00 C ATOM 706 SG CYS X 153 3.173 -6.463 -1.254 1.00 0.00 S ATOM 0 H CYS X 153 3.405 -8.036 0.871 1.00 0.00 H new ATOM 0 HA CYS X 153 0.999 -6.687 1.852 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.470 -5.177 -0.167 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.915 -5.290 0.818 1.00 0.00 H new ATOM 0 HG CYS X 153 2.344 -6.846 -2.179 1.00 0.00 H new ATOM 712 N HIS X 154 -0.476 -6.986 -0.282 1.00 0.00 N ATOM 713 CA HIS X 154 -1.443 -7.532 -1.264 1.00 0.00 C ATOM 714 C HIS X 154 -0.684 -7.657 -2.592 1.00 0.00 C ATOM 715 O HIS X 154 0.282 -6.922 -2.849 1.00 0.00 O ATOM 716 CB HIS X 154 -2.653 -6.621 -1.614 1.00 0.00 C ATOM 717 CG HIS X 154 -3.572 -6.291 -0.479 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.304 -5.309 0.476 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.804 -6.820 -0.178 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.381 -5.310 1.319 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.278 -6.204 0.939 1.00 0.00 N ATOM 0 H HIS X 154 -0.724 -6.075 0.103 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.829 -8.447 -0.815 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.273 -5.689 -2.031 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.234 -7.107 -2.398 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.477 -4.714 0.533 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.311 -7.594 -0.734 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.485 -4.666 2.180 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.167 -6.397 1.401 1.00 0.00 H new ATOM 729 N SER X 155 -1.134 -8.546 -3.464 1.00 0.00 N ATOM 730 CA SER X 155 -0.493 -8.698 -4.768 1.00 0.00 C ATOM 731 C SER X 155 -0.477 -7.353 -5.488 1.00 0.00 C ATOM 732 O SER X 155 0.547 -6.922 -5.991 1.00 0.00 O ATOM 733 CB SER X 155 -1.202 -9.776 -5.591 1.00 0.00 C ATOM 734 OG SER X 155 -2.578 -9.480 -5.762 1.00 0.00 O ATOM 0 H SER X 155 -1.927 -9.166 -3.300 1.00 0.00 H new ATOM 0 HA SER X 155 0.538 -9.023 -4.632 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.724 -9.863 -6.567 1.00 0.00 H new ATOM 0 HB3 SER X 155 -1.095 -10.741 -5.096 1.00 0.00 H new ATOM 0 HG SER X 155 -3.001 -10.187 -6.293 1.00 0.00 H new ATOM 740 N GLU X 156 -1.623 -6.694 -5.508 1.00 0.00 N ATOM 741 CA GLU X 156 -1.767 -5.383 -6.135 1.00 0.00 C ATOM 742 C GLU X 156 -0.854 -4.322 -5.501 1.00 0.00 C ATOM 743 O GLU X 156 -0.350 -3.439 -6.196 1.00 0.00 O ATOM 744 CB GLU X 156 -3.245 -4.982 -6.093 1.00 0.00 C ATOM 745 CG GLU X 156 -3.826 -4.892 -4.682 1.00 0.00 C ATOM 746 CD GLU X 156 -5.309 -4.571 -4.673 1.00 0.00 C ATOM 747 OE1 GLU X 156 -5.856 -4.379 -5.779 1.00 0.00 O ATOM 748 OE2 GLU X 156 -5.909 -4.815 -3.604 1.00 0.00 O ATOM 0 H GLU X 156 -2.483 -7.050 -5.091 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.442 -5.448 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.363 -4.017 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.823 -5.706 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.661 -5.838 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -3.290 -4.125 -4.122 1.00 0.00 H new ATOM 755 N CYS X 157 -0.613 -4.429 -4.197 1.00 0.00 N ATOM 756 CA CYS X 157 0.253 -3.498 -3.504 1.00 0.00 C ATOM 757 C CYS X 157 1.674 -3.576 -4.051 1.00 0.00 C ATOM 758 O CYS X 157 2.361 -2.564 -4.153 1.00 0.00 O ATOM 759 CB CYS X 157 0.226 -3.769 -2.000 1.00 0.00 C ATOM 760 SG CYS X 157 -1.338 -3.417 -1.279 1.00 0.00 S ATOM 0 H CYS X 157 -1.010 -5.157 -3.603 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.114 -2.486 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS X 157 0.479 -4.813 -1.818 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.991 -3.166 -1.512 1.00 0.00 H new ATOM 0 HG CYS X 157 -1.175 -2.653 -0.240 1.00 0.00 H new ATOM 765 N ARG X 158 2.106 -4.779 -4.427 1.00 0.00 N ATOM 766 CA ARG X 158 3.473 -4.959 -4.959 1.00 0.00 C ATOM 767 C ARG X 158 3.753 -3.931 -6.036 1.00 0.00 C ATOM 768 O ARG X 158 4.752 -3.227 -6.001 1.00 0.00 O ATOM 769 CB ARG X 158 3.657 -6.333 -5.609 1.00 0.00 C ATOM 770 CG ARG X 158 3.523 -7.524 -4.688 1.00 0.00 C ATOM 771 CD ARG X 158 3.622 -8.802 -5.507 1.00 0.00 C ATOM 772 NE ARG X 158 4.933 -8.937 -6.139 1.00 0.00 N ATOM 773 CZ ARG X 158 5.262 -9.910 -6.967 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.389 -10.827 -7.278 1.00 0.00 N ATOM 775 NH2 ARG X 158 6.463 -9.963 -7.479 1.00 0.00 N ATOM 0 H ARG X 158 1.549 -5.632 -4.378 1.00 0.00 H new ATOM 0 HA ARG X 158 4.150 -4.853 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.926 -6.435 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.644 -6.365 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG X 158 4.305 -7.502 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.569 -7.487 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.438 -9.662 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG X 158 2.846 -8.805 -6.273 1.00 0.00 H new ATOM 0 HE ARG X 158 5.640 -8.233 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG X 158 3.450 -10.793 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG X 158 4.645 -11.579 -7.918 1.00 0.00 H new ATOM 0 HH21 ARG X 158 7.152 -9.250 -7.239 1.00 0.00 H new ATOM 0 HH22 ARG X 158 6.712 -10.718 -8.119 1.00 0.00 H new ATOM 789 N SER X 159 2.859 -3.878 -7.003 1.00 0.00 N ATOM 790 CA SER X 159 2.969 -2.964 -8.125 1.00 0.00 C ATOM 791 C SER X 159 3.105 -1.486 -7.762 1.00 0.00 C ATOM 792 O SER X 159 3.843 -0.764 -8.426 1.00 0.00 O ATOM 793 CB SER X 159 1.728 -3.117 -8.999 1.00 0.00 C ATOM 794 OG SER X 159 1.614 -4.454 -9.463 1.00 0.00 O ATOM 0 H SER X 159 2.030 -4.471 -7.034 1.00 0.00 H new ATOM 0 HA SER X 159 3.894 -3.238 -8.631 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.839 -2.845 -8.430 1.00 0.00 H new ATOM 0 HB3 SER X 159 1.785 -2.434 -9.847 1.00 0.00 H new ATOM 0 HG SER X 159 0.813 -4.539 -10.021 1.00 0.00 H new ATOM 800 N LEU X 160 2.380 -1.004 -6.757 1.00 0.00 N ATOM 801 CA LEU X 160 2.475 0.418 -6.415 1.00 0.00 C ATOM 802 C LEU X 160 3.792 0.865 -5.779 1.00 0.00 C ATOM 803 O LEU X 160 4.044 2.065 -5.678 1.00 0.00 O ATOM 804 CB LEU X 160 1.245 0.901 -5.620 1.00 0.00 C ATOM 805 CG LEU X 160 0.870 0.313 -4.257 1.00 0.00 C ATOM 806 CD1 LEU X 160 1.950 0.504 -3.228 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.391 0.978 -3.773 1.00 0.00 C ATOM 0 H LEU X 160 1.741 -1.551 -6.181 1.00 0.00 H new ATOM 0 HA LEU X 160 2.477 0.923 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.368 1.974 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU X 160 0.380 0.764 -6.269 1.00 0.00 H new ATOM 0 HG LEU X 160 0.729 -0.760 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU X 160 1.631 0.068 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU X 160 2.864 0.013 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU X 160 2.139 1.569 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -0.669 0.568 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.223 2.051 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -1.195 0.797 -4.487 1.00 0.00 H new ATOM 819 N ILE X 161 4.637 -0.064 -5.348 1.00 0.00 N ATOM 820 CA ILE X 161 5.900 0.329 -4.718 1.00 0.00 C ATOM 821 C ILE X 161 7.107 -0.090 -5.568 1.00 0.00 C ATOM 822 O ILE X 161 7.545 -1.236 -5.572 1.00 0.00 O ATOM 823 CB ILE X 161 5.998 -0.167 -3.232 1.00 0.00 C ATOM 824 CG1 ILE X 161 7.395 0.162 -2.664 1.00 0.00 C ATOM 825 CG2 ILE X 161 5.681 -1.684 -3.124 1.00 0.00 C ATOM 826 CD1 ILE X 161 7.624 -0.290 -1.251 1.00 0.00 C ATOM 0 H ILE X 161 4.481 -1.070 -5.418 1.00 0.00 H new ATOM 0 HA ILE X 161 5.917 1.418 -4.671 1.00 0.00 H new ATOM 0 HB ILE X 161 5.251 0.357 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.149 -0.297 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE X 161 7.547 1.240 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE X 161 5.757 -1.998 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE X 161 4.670 -1.871 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE X 161 6.393 -2.248 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE X 161 8.632 -0.015 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE X 161 6.898 0.188 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.509 -1.372 -1.192 1.00 0.00 H new ATOM 838 N GLN X 162 7.632 0.880 -6.293 1.00 0.00 N ATOM 839 CA GLN X 162 8.798 0.676 -7.159 1.00 0.00 C ATOM 840 C GLN X 162 10.095 1.024 -6.414 1.00 0.00 C ATOM 841 O GLN X 162 11.148 1.186 -7.005 1.00 0.00 O ATOM 842 CB GLN X 162 8.640 1.525 -8.423 1.00 0.00 C ATOM 843 CG GLN X 162 7.464 1.063 -9.288 1.00 0.00 C ATOM 844 CD GLN X 162 7.239 1.949 -10.492 1.00 0.00 C ATOM 845 OE1 GLN X 162 8.155 2.272 -11.227 1.00 0.00 O ATOM 846 NE2 GLN X 162 6.006 2.338 -10.702 1.00 0.00 N ATOM 0 H GLN X 162 7.269 1.833 -6.304 1.00 0.00 H new ATOM 0 HA GLN X 162 8.859 -0.374 -7.444 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.494 2.568 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN X 162 9.559 1.478 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.644 0.042 -9.623 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.558 1.044 -8.682 1.00 0.00 H new ATOM 0 HE21 GLN X 162 5.264 2.048 -10.065 1.00 0.00 H new ATOM 0 HE22 GLN X 162 5.788 2.931 -11.503 1.00 0.00 H new ATOM 855 N LEU X 163 9.991 1.160 -5.099 1.00 0.00 N ATOM 856 CA LEU X 163 11.149 1.479 -4.264 1.00 0.00 C ATOM 857 C LEU X 163 11.857 0.146 -3.979 1.00 0.00 C ATOM 858 O LEU X 163 11.358 -0.670 -3.200 1.00 0.00 O ATOM 859 CB LEU X 163 10.677 2.201 -2.983 1.00 0.00 C ATOM 860 CG LEU X 163 11.677 2.704 -1.924 1.00 0.00 C ATOM 861 CD1 LEU X 163 12.443 1.626 -1.217 1.00 0.00 C ATOM 862 CD2 LEU X 163 12.657 3.656 -2.569 1.00 0.00 C ATOM 0 H LEU X 163 9.117 1.055 -4.584 1.00 0.00 H new ATOM 0 HA LEU X 163 11.848 2.158 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU X 163 10.095 3.065 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU X 163 9.990 1.525 -2.474 1.00 0.00 H new ATOM 0 HG LEU X 163 11.072 3.196 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU X 163 13.120 2.077 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU X 163 11.747 0.964 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU X 163 13.019 1.052 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU X 163 13.365 4.012 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU X 163 13.197 3.140 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU X 163 12.117 4.504 -2.990 1.00 0.00 H new ATOM 874 N ASP X 164 12.984 -0.065 -4.647 1.00 0.00 N ATOM 875 CA ASP X 164 13.811 -1.290 -4.550 1.00 0.00 C ATOM 876 C ASP X 164 14.303 -1.724 -3.178 1.00 0.00 C ATOM 877 O ASP X 164 14.097 -1.052 -2.173 1.00 0.00 O ATOM 878 CB ASP X 164 14.972 -1.207 -5.550 1.00 0.00 C ATOM 879 CG ASP X 164 14.496 -1.258 -6.994 1.00 0.00 C ATOM 880 OD1 ASP X 164 13.306 -1.601 -7.193 1.00 0.00 O ATOM 881 OD2 ASP X 164 15.298 -0.902 -7.878 1.00 0.00 O ATOM 0 H ASP X 164 13.370 0.623 -5.293 1.00 0.00 H new ATOM 0 HA ASP X 164 13.112 -2.088 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP X 164 15.525 -0.283 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP X 164 15.664 -2.029 -5.369 1.00 0.00 H new ATOM 886 N CYS X 165 14.885 -2.917 -3.132 1.00 0.00 N ATOM 887 CA CYS X 165 15.350 -3.471 -1.890 1.00 0.00 C ATOM 888 C CYS X 165 16.342 -2.557 -1.154 1.00 0.00 C ATOM 889 O CYS X 165 17.408 -2.196 -1.642 1.00 0.00 O ATOM 890 CB CYS X 165 15.934 -4.866 -2.132 1.00 0.00 C ATOM 891 SG CYS X 165 14.796 -6.076 -2.793 1.00 0.00 S ATOM 0 H CYS X 165 15.041 -3.510 -3.947 1.00 0.00 H new ATOM 0 HA CYS X 165 14.490 -3.556 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.777 -4.774 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.330 -5.243 -1.189 1.00 0.00 H new ATOM 0 HG CYS X 165 13.588 -5.596 -2.766 1.00 0.00 H new ATOM 896 N ARG X 166 15.903 -2.216 0.043 1.00 0.00 N ATOM 897 CA ARG X 166 16.635 -1.361 0.988 1.00 0.00 C ATOM 898 C ARG X 166 18.022 -1.883 1.340 1.00 0.00 C ATOM 899 O ARG X 166 18.020 -2.964 1.968 1.00 0.00 O ATOM 900 CB ARG X 166 15.847 -1.248 2.285 1.00 0.00 C ATOM 901 CG ARG X 166 14.496 -0.568 2.164 1.00 0.00 C ATOM 902 CD ARG X 166 13.749 -0.655 3.498 1.00 0.00 C ATOM 903 NE ARG X 166 14.456 0.042 4.576 1.00 0.00 N ATOM 904 CZ ARG X 166 15.221 -0.557 5.477 1.00 0.00 C ATOM 905 NH1 ARG X 166 15.387 -1.853 5.465 1.00 0.00 N ATOM 906 NH2 ARG X 166 15.821 0.150 6.395 1.00 0.00 N ATOM 907 OXT ARG X 166 18.899 -1.003 1.411 1.00 0.00 O ATOM 0 H ARG X 166 15.003 -2.530 0.405 1.00 0.00 H new ATOM 0 HA ARG X 166 16.754 -0.399 0.490 1.00 0.00 H new ATOM 0 HB2 ARG X 166 15.697 -2.249 2.688 1.00 0.00 H new ATOM 0 HB3 ARG X 166 16.448 -0.699 3.010 1.00 0.00 H new ATOM 0 HG2 ARG X 166 14.628 0.476 1.878 1.00 0.00 H new ATOM 0 HG3 ARG X 166 13.909 -1.042 1.377 1.00 0.00 H new ATOM 0 HD2 ARG X 166 12.753 -0.227 3.383 1.00 0.00 H new ATOM 0 HD3 ARG X 166 13.617 -1.702 3.770 1.00 0.00 H new ATOM 0 HE ARG X 166 14.352 1.055 4.637 1.00 0.00 H new ATOM 0 HH11 ARG X 166 14.924 -2.420 4.754 1.00 0.00 H new ATOM 0 HH12 ARG X 166 15.979 -2.298 6.166 1.00 0.00 H new ATOM 0 HH21 ARG X 166 15.701 1.163 6.419 1.00 0.00 H new ATOM 0 HH22 ARG X 166 16.410 -0.310 7.089 1.00 0.00 H new