USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=13 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 -143:sc= 0.00996 USER MOD Set 1.2: X 135 CYS SG : rot 180:sc= 2.45 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -2.87! C(o=-0.8!,f=-11!) USER MOD Set 1.4: X 157 CYS SG : rot -150:sc= -0.391 USER MOD Set 2.1: X 118 HIS : no HE2:sc= -0.701 K(o=-2.3,f=-7.3) USER MOD Set 2.2: X 146 CYS SG : rot -97:sc= 2.14 USER MOD Set 2.3: X 148 ASN : amide:sc= -0.0438 K(o=-2.3,f=-9!) USER MOD Set 2.4: X 149 CYS SG : rot 117:sc= -2.7! USER MOD Set 2.5: X 150 LYS NZ :NH3+ 150:sc= 0.593 (180deg=0.108) USER MOD Set 2.6: X 165 CYS SG : rot -88:sc= -1.57! USER MOD Single : X 142 GLN : amide:sc= -1.66! C(o=-1.7!,f=-2.4!) USER MOD Single : X 152 THR OG1 : rot 180:sc= 0 USER MOD Single : X 153 CYS SG : rot -110:sc= 1.26 USER MOD Single : X 155 SER OG : rot 180:sc=-0.00669 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc= -1.52! X(o=-1.5!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 12.499 -5.908 -5.214 1.00 0.00 N ATOM 153 CA HIS X 118 11.753 -6.765 -4.284 1.00 0.00 C ATOM 154 C HIS X 118 11.269 -8.135 -4.744 1.00 0.00 C ATOM 155 O HIS X 118 10.480 -8.284 -5.685 1.00 0.00 O ATOM 156 CB HIS X 118 10.534 -6.045 -3.768 1.00 0.00 C ATOM 157 CG HIS X 118 10.829 -4.770 -3.054 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.857 -4.637 -2.122 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.171 -3.569 -3.108 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.789 -3.351 -1.685 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.789 -2.705 -2.263 1.00 0.00 N ATOM 0 HA HIS X 118 12.526 -6.968 -3.543 1.00 0.00 H new ATOM 0 HB2 HIS X 118 9.870 -5.833 -4.606 1.00 0.00 H new ATOM 0 HB3 HIS X 118 9.993 -6.709 -3.093 1.00 0.00 H new ATOM 0 HD1 HIS X 118 12.521 -5.354 -1.829 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.308 -3.348 -3.719 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.462 -2.915 -0.962 1.00 0.00 H new ATOM 169 N ARG X 119 11.733 -9.143 -4.016 1.00 0.00 N ATOM 170 CA ARG X 119 11.362 -10.536 -4.267 1.00 0.00 C ATOM 171 C ARG X 119 9.871 -10.821 -4.042 1.00 0.00 C ATOM 172 O ARG X 119 9.259 -11.504 -4.850 1.00 0.00 O ATOM 173 CB ARG X 119 12.261 -11.479 -3.449 1.00 0.00 C ATOM 174 CG ARG X 119 12.132 -11.338 -1.932 1.00 0.00 C ATOM 175 CD ARG X 119 13.142 -12.187 -1.205 1.00 0.00 C ATOM 176 NE ARG X 119 12.966 -13.626 -1.382 1.00 0.00 N ATOM 177 CZ ARG X 119 13.765 -14.523 -0.831 1.00 0.00 C ATOM 178 NH1 ARG X 119 14.761 -14.145 -0.079 1.00 0.00 N ATOM 179 NH2 ARG X 119 13.565 -15.798 -1.033 1.00 0.00 N ATOM 0 H ARG X 119 12.377 -9.021 -3.234 1.00 0.00 H new ATOM 0 HA ARG X 119 11.529 -10.727 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.029 -12.508 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.299 -11.301 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.265 -10.293 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.127 -11.625 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG X 119 14.140 -11.912 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.093 -11.956 -0.141 1.00 0.00 H new ATOM 0 HE ARG X 119 12.190 -13.954 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG X 119 14.927 -13.152 0.087 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.374 -14.842 0.344 1.00 0.00 H new ATOM 0 HH21 ARG X 119 12.789 -16.106 -1.619 1.00 0.00 H new ATOM 0 HH22 ARG X 119 14.185 -16.486 -0.605 1.00 0.00 H new ATOM 193 N PHE X 120 9.300 -10.320 -2.947 1.00 0.00 N ATOM 194 CA PHE X 120 7.870 -10.529 -2.651 1.00 0.00 C ATOM 195 C PHE X 120 7.419 -12.005 -2.669 1.00 0.00 C ATOM 196 O PHE X 120 6.589 -12.412 -3.468 1.00 0.00 O ATOM 197 CB PHE X 120 6.974 -9.638 -3.506 1.00 0.00 C ATOM 198 CG PHE X 120 7.033 -8.185 -3.142 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.631 -7.765 -1.884 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.434 -7.237 -4.053 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.655 -6.430 -1.545 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.436 -5.893 -3.718 1.00 0.00 C ATOM 203 CZ PHE X 120 7.059 -5.497 -2.465 1.00 0.00 C ATOM 0 H PHE X 120 9.797 -9.768 -2.248 1.00 0.00 H new ATOM 0 HA PHE X 120 7.749 -10.219 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.258 -9.752 -4.552 1.00 0.00 H new ATOM 0 HB3 PHE X 120 5.944 -9.983 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.295 -8.493 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE X 120 7.750 -7.543 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.356 -6.118 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE X 120 7.736 -5.156 -4.448 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.079 -4.450 -2.200 1.00 0.00 H new ATOM 213 N VAL X 121 8.004 -12.817 -1.810 1.00 0.00 N ATOM 214 CA VAL X 121 7.653 -14.262 -1.761 1.00 0.00 C ATOM 215 C VAL X 121 6.351 -14.594 -0.996 1.00 0.00 C ATOM 216 O VAL X 121 6.221 -14.353 0.196 1.00 0.00 O ATOM 217 CB VAL X 121 8.827 -15.157 -1.272 1.00 0.00 C ATOM 218 CG1 VAL X 121 9.900 -15.208 -2.345 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.455 -14.640 0.013 1.00 0.00 C ATOM 0 H VAL X 121 8.715 -12.528 -1.139 1.00 0.00 H new ATOM 0 HA VAL X 121 7.453 -14.505 -2.805 1.00 0.00 H new ATOM 0 HB VAL X 121 8.417 -16.148 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.725 -15.835 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.480 -15.625 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.267 -14.200 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.269 -15.300 0.311 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.844 -13.635 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.702 -14.613 0.801 1.00 0.00 H new ATOM 229 N GLU X 122 5.380 -15.135 -1.717 1.00 0.00 N ATOM 230 CA GLU X 122 4.052 -15.467 -1.174 1.00 0.00 C ATOM 231 C GLU X 122 3.884 -16.331 0.100 1.00 0.00 C ATOM 232 O GLU X 122 4.769 -17.096 0.497 1.00 0.00 O ATOM 233 CB GLU X 122 3.240 -16.187 -2.271 1.00 0.00 C ATOM 234 CG GLU X 122 3.819 -17.536 -2.697 1.00 0.00 C ATOM 235 CD GLU X 122 2.978 -18.219 -3.772 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.773 -17.593 -4.829 1.00 0.00 O ATOM 237 OE2 GLU X 122 2.693 -19.428 -3.595 1.00 0.00 O ATOM 0 H GLU X 122 5.483 -15.362 -2.706 1.00 0.00 H new ATOM 0 HA GLU X 122 3.722 -14.478 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU X 122 2.222 -16.338 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU X 122 3.178 -15.539 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU X 122 4.833 -17.391 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU X 122 3.890 -18.188 -1.827 1.00 0.00 H new ATOM 244 N LEU X 123 2.705 -16.196 0.715 1.00 0.00 N ATOM 245 CA LEU X 123 2.306 -16.952 1.912 1.00 0.00 C ATOM 246 C LEU X 123 1.255 -18.001 1.544 1.00 0.00 C ATOM 247 O LEU X 123 0.578 -17.888 0.532 1.00 0.00 O ATOM 248 CB LEU X 123 1.585 -16.058 2.932 1.00 0.00 C ATOM 249 CG LEU X 123 2.233 -14.981 3.786 1.00 0.00 C ATOM 250 CD1 LEU X 123 3.225 -15.613 4.726 1.00 0.00 C ATOM 251 CD2 LEU X 123 2.843 -13.917 3.001 1.00 0.00 C ATOM 0 H LEU X 123 1.987 -15.548 0.391 1.00 0.00 H new ATOM 0 HA LEU X 123 3.224 -17.378 2.317 1.00 0.00 H new ATOM 0 HB2 LEU X 123 0.792 -15.557 2.377 1.00 0.00 H new ATOM 0 HB3 LEU X 123 1.102 -16.739 3.632 1.00 0.00 H new ATOM 0 HG LEU X 123 1.444 -14.499 4.364 1.00 0.00 H new ATOM 0 HD11 LEU X 123 3.690 -14.840 5.338 1.00 0.00 H new ATOM 0 HD12 LEU X 123 2.712 -16.327 5.370 1.00 0.00 H new ATOM 0 HD13 LEU X 123 3.993 -16.130 4.151 1.00 0.00 H new ATOM 0 HD21 LEU X 123 3.288 -13.180 3.670 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.617 -14.337 2.358 1.00 0.00 H new ATOM 0 HD23 LEU X 123 2.082 -13.436 2.386 1.00 0.00 H new ATOM 330 N PRO X 129 -6.875 -15.139 7.705 1.00 0.00 N ATOM 331 CA PRO X 129 -6.325 -13.912 7.118 1.00 0.00 C ATOM 332 C PRO X 129 -4.833 -13.685 7.325 1.00 0.00 C ATOM 333 O PRO X 129 -4.082 -14.548 7.770 1.00 0.00 O ATOM 334 CB PRO X 129 -7.029 -12.814 7.933 1.00 0.00 C ATOM 335 CG PRO X 129 -8.265 -13.398 8.359 1.00 0.00 C ATOM 336 CD PRO X 129 -7.854 -14.802 8.752 1.00 0.00 C ATOM 0 HA PRO X 129 -6.474 -13.939 6.039 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.424 -12.507 8.786 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -7.202 -11.924 7.328 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -8.702 -12.855 9.197 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -9.007 -13.402 7.561 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.413 -14.834 9.748 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.700 -15.489 8.756 1.00 0.00 H new ATOM 344 N GLY X 130 -4.440 -12.460 7.037 1.00 0.00 N ATOM 345 CA GLY X 130 -3.076 -12.009 7.193 1.00 0.00 C ATOM 346 C GLY X 130 -3.298 -10.546 6.924 1.00 0.00 C ATOM 347 O GLY X 130 -4.405 -10.211 6.516 1.00 0.00 O ATOM 0 H GLY X 130 -5.071 -11.741 6.683 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.677 -12.201 8.189 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.392 -12.472 6.481 1.00 0.00 H new ATOM 351 N TRP X 131 -2.326 -9.682 7.149 1.00 0.00 N ATOM 352 CA TRP X 131 -2.515 -8.246 6.934 1.00 0.00 C ATOM 353 C TRP X 131 -1.439 -7.625 6.023 1.00 0.00 C ATOM 354 O TRP X 131 -0.269 -7.949 6.163 1.00 0.00 O ATOM 355 CB TRP X 131 -2.544 -7.620 8.331 1.00 0.00 C ATOM 356 CG TRP X 131 -3.793 -8.125 9.068 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.935 -9.288 9.781 1.00 0.00 C ATOM 358 CD2 TRP X 131 -5.074 -7.473 9.146 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.214 -9.413 10.254 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.936 -8.312 9.888 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.575 -6.268 8.663 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.263 -7.980 10.138 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.891 -5.927 8.920 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.726 -6.787 9.649 1.00 0.00 C ATOM 0 H TRP X 131 -1.397 -9.941 7.480 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.443 -8.052 6.397 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.644 -7.888 8.884 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.562 -6.533 8.258 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -3.146 -10.007 9.947 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.571 -10.202 10.793 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.942 -5.605 8.092 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.907 -8.641 10.699 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.280 -4.988 8.555 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.753 -6.503 9.828 1.00 0.00 H new ATOM 375 N CYS X 132 -1.835 -6.768 5.082 1.00 0.00 N ATOM 376 CA CYS X 132 -0.876 -6.105 4.187 1.00 0.00 C ATOM 377 C CYS X 132 -0.256 -5.018 5.050 1.00 0.00 C ATOM 378 O CYS X 132 -0.924 -4.017 5.298 1.00 0.00 O ATOM 379 CB CYS X 132 -1.616 -5.499 2.989 1.00 0.00 C ATOM 380 SG CYS X 132 -0.609 -4.533 1.850 1.00 0.00 S ATOM 0 H CYS X 132 -2.809 -6.515 4.917 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.127 -6.784 3.780 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.087 -6.308 2.431 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.417 -4.862 3.365 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.297 -3.519 1.416 1.00 0.00 H new ATOM 385 N ASP X 133 0.996 -5.177 5.468 1.00 0.00 N ATOM 386 CA ASP X 133 1.653 -4.199 6.365 1.00 0.00 C ATOM 387 C ASP X 133 1.476 -2.795 5.811 1.00 0.00 C ATOM 388 O ASP X 133 1.143 -1.852 6.518 1.00 0.00 O ATOM 389 CB ASP X 133 3.140 -4.515 6.459 1.00 0.00 C ATOM 390 CG ASP X 133 3.414 -5.917 7.004 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.533 -6.458 7.698 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.535 -6.418 6.756 1.00 0.00 O ATOM 0 H ASP X 133 1.585 -5.968 5.207 1.00 0.00 H new ATOM 0 HA ASP X 133 1.200 -4.260 7.354 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.590 -4.420 5.471 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.623 -3.779 7.102 1.00 0.00 H new ATOM 397 N LEU X 134 1.682 -2.700 4.515 1.00 0.00 N ATOM 398 CA LEU X 134 1.524 -1.471 3.767 1.00 0.00 C ATOM 399 C LEU X 134 0.107 -0.861 3.860 1.00 0.00 C ATOM 400 O LEU X 134 -0.051 0.328 4.122 1.00 0.00 O ATOM 401 CB LEU X 134 1.858 -1.806 2.317 1.00 0.00 C ATOM 402 CG LEU X 134 1.318 -0.882 1.235 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.865 0.519 1.324 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.675 -1.494 -0.077 1.00 0.00 C ATOM 0 H LEU X 134 1.970 -3.492 3.940 1.00 0.00 H new ATOM 0 HA LEU X 134 2.186 -0.713 4.187 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.943 -1.836 2.221 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.492 -2.812 2.112 1.00 0.00 H new ATOM 0 HG LEU X 134 0.240 -0.783 1.359 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.441 1.127 0.525 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.601 0.952 2.289 1.00 0.00 H new ATOM 0 HD13 LEU X 134 2.950 0.493 1.223 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.306 -0.863 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.759 -1.585 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.222 -2.482 -0.153 1.00 0.00 H new ATOM 416 N CYS X 135 -0.914 -1.670 3.601 1.00 0.00 N ATOM 417 CA CYS X 135 -2.300 -1.188 3.624 1.00 0.00 C ATOM 418 C CYS X 135 -2.984 -1.084 4.986 1.00 0.00 C ATOM 419 O CYS X 135 -3.886 -0.271 5.180 1.00 0.00 O ATOM 420 CB CYS X 135 -3.178 -2.123 2.777 1.00 0.00 C ATOM 421 SG CYS X 135 -3.006 -1.939 1.026 1.00 0.00 S ATOM 0 H CYS X 135 -0.814 -2.659 3.373 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.213 -0.170 3.243 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.944 -3.154 3.042 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.222 -1.955 3.043 1.00 0.00 H new ATOM 0 HG CYS X 135 -3.792 -2.780 0.422 1.00 0.00 H new ATOM 426 N GLY X 136 -2.609 -1.967 5.889 1.00 0.00 N ATOM 427 CA GLY X 136 -3.230 -2.028 7.200 1.00 0.00 C ATOM 428 C GLY X 136 -4.513 -2.837 7.067 1.00 0.00 C ATOM 429 O GLY X 136 -5.208 -3.107 8.037 1.00 0.00 O ATOM 0 H GLY X 136 -1.873 -2.657 5.739 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.557 -2.493 7.921 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.447 -1.025 7.568 1.00 0.00 H new ATOM 433 N ARG X 137 -4.830 -3.210 5.828 1.00 0.00 N ATOM 434 CA ARG X 137 -6.024 -3.980 5.494 1.00 0.00 C ATOM 435 C ARG X 137 -5.705 -5.451 5.264 1.00 0.00 C ATOM 436 O ARG X 137 -4.644 -5.792 4.747 1.00 0.00 O ATOM 437 CB ARG X 137 -6.608 -3.395 4.224 1.00 0.00 C ATOM 438 CG ARG X 137 -7.055 -1.956 4.419 1.00 0.00 C ATOM 439 CD ARG X 137 -7.498 -1.330 3.135 1.00 0.00 C ATOM 440 NE ARG X 137 -6.402 -1.093 2.189 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.559 -0.541 0.999 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.745 -0.179 0.593 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.531 -0.355 0.223 1.00 0.00 N ATOM 0 H ARG X 137 -4.255 -2.982 5.017 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.726 -3.923 6.326 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.865 -3.440 3.428 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.457 -3.999 3.902 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.873 -1.924 5.139 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.235 -1.375 4.842 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.241 -1.974 2.664 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.990 -0.382 3.353 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.461 -1.371 2.467 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.556 -0.322 1.195 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -7.861 0.247 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.601 -0.636 0.533 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.656 0.071 -0.695 1.00 0.00 H new ATOM 457 N GLU X 138 -6.628 -6.313 5.653 1.00 0.00 N ATOM 458 CA GLU X 138 -6.458 -7.761 5.509 1.00 0.00 C ATOM 459 C GLU X 138 -6.172 -8.237 4.084 1.00 0.00 C ATOM 460 O GLU X 138 -6.742 -7.741 3.103 1.00 0.00 O ATOM 461 CB GLU X 138 -7.681 -8.516 6.043 1.00 0.00 C ATOM 462 CG GLU X 138 -8.981 -8.233 5.298 1.00 0.00 C ATOM 463 CD GLU X 138 -10.142 -9.020 5.869 1.00 0.00 C ATOM 464 OE1 GLU X 138 -10.009 -10.263 5.932 1.00 0.00 O ATOM 465 OE2 GLU X 138 -11.177 -8.386 6.154 1.00 0.00 O ATOM 0 H GLU X 138 -7.514 -6.038 6.076 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.571 -7.986 6.101 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.478 -9.586 5.998 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.818 -8.261 7.094 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.204 -7.167 5.350 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -8.857 -8.482 4.244 1.00 0.00 H new ATOM 472 N VAL X 139 -5.294 -9.218 3.966 1.00 0.00 N ATOM 473 CA VAL X 139 -4.961 -9.788 2.673 1.00 0.00 C ATOM 474 C VAL X 139 -5.682 -11.124 2.470 1.00 0.00 C ATOM 475 O VAL X 139 -5.134 -12.195 2.700 1.00 0.00 O ATOM 476 CB VAL X 139 -3.418 -10.006 2.550 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.734 -8.716 2.347 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.835 -10.576 3.810 1.00 0.00 C ATOM 0 H VAL X 139 -4.798 -9.637 4.753 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.286 -9.087 1.904 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.273 -10.688 1.712 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.660 -8.883 2.263 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.101 -8.249 1.433 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.934 -8.061 3.195 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.761 -10.713 3.684 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.019 -9.892 4.638 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.301 -11.538 4.024 1.00 0.00 H new ATOM 488 N LEU X 140 -6.919 -11.053 1.992 1.00 0.00 N ATOM 489 CA LEU X 140 -7.687 -12.268 1.700 1.00 0.00 C ATOM 490 C LEU X 140 -6.908 -12.987 0.600 1.00 0.00 C ATOM 491 O LEU X 140 -6.643 -14.185 0.651 1.00 0.00 O ATOM 492 CB LEU X 140 -9.152 -11.968 1.313 1.00 0.00 C ATOM 493 CG LEU X 140 -9.539 -11.120 0.084 1.00 0.00 C ATOM 494 CD1 LEU X 140 -11.040 -11.009 0.073 1.00 0.00 C ATOM 495 CD2 LEU X 140 -8.966 -9.701 0.086 1.00 0.00 C ATOM 0 H LEU X 140 -7.411 -10.181 1.799 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.784 -12.900 2.583 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.643 -12.933 1.190 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.608 -11.486 2.178 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.127 -11.620 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.355 -10.414 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -11.478 -12.005 0.004 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.376 -10.528 0.991 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -9.288 -9.177 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -9.324 -9.165 0.965 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -7.877 -9.748 0.108 1.00 0.00 H new ATOM 507 N ARG X 141 -6.533 -12.205 -0.403 1.00 0.00 N ATOM 508 CA ARG X 141 -5.716 -12.677 -1.515 1.00 0.00 C ATOM 509 C ARG X 141 -4.387 -12.978 -0.845 1.00 0.00 C ATOM 510 O ARG X 141 -3.916 -12.160 -0.079 1.00 0.00 O ATOM 511 CB ARG X 141 -5.586 -11.591 -2.585 1.00 0.00 C ATOM 512 CG ARG X 141 -6.927 -11.257 -3.245 1.00 0.00 C ATOM 513 CD ARG X 141 -6.811 -10.125 -4.251 1.00 0.00 C ATOM 514 NE ARG X 141 -6.495 -8.852 -3.601 1.00 0.00 N ATOM 515 CZ ARG X 141 -6.351 -7.714 -4.252 1.00 0.00 C ATOM 516 NH1 ARG X 141 -6.499 -7.672 -5.542 1.00 0.00 N ATOM 517 NH2 ARG X 141 -6.059 -6.615 -3.620 1.00 0.00 N ATOM 0 H ARG X 141 -6.788 -11.220 -0.469 1.00 0.00 H new ATOM 0 HA ARG X 141 -6.129 -13.540 -2.036 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -5.171 -10.689 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -4.881 -11.920 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -7.314 -12.145 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -7.649 -10.983 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -6.036 -10.364 -4.979 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -7.747 -10.030 -4.801 1.00 0.00 H new ATOM 0 HE ARG X 141 -6.380 -8.845 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -6.728 -8.522 -6.057 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -6.386 -6.789 -6.040 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -5.938 -6.626 -2.607 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -5.951 -5.743 -4.137 1.00 0.00 H new ATOM 531 N GLN X 142 -3.782 -14.120 -1.116 1.00 0.00 N ATOM 532 CA GLN X 142 -2.529 -14.469 -0.468 1.00 0.00 C ATOM 533 C GLN X 142 -1.460 -13.431 -0.778 1.00 0.00 C ATOM 534 O GLN X 142 -1.167 -13.089 -1.926 1.00 0.00 O ATOM 535 CB GLN X 142 -2.097 -15.901 -0.835 1.00 0.00 C ATOM 536 CG GLN X 142 -1.732 -16.146 -2.306 1.00 0.00 C ATOM 537 CD GLN X 142 -2.919 -16.013 -3.234 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.981 -16.576 -2.997 1.00 0.00 O ATOM 539 NE2 GLN X 142 -2.756 -15.243 -4.276 1.00 0.00 N ATOM 0 H GLN X 142 -4.133 -14.816 -1.774 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.676 -14.460 0.612 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.237 -16.167 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -2.904 -16.582 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -0.960 -15.438 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -1.306 -17.144 -2.409 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -1.857 -14.791 -4.440 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -3.528 -15.094 -4.926 1.00 0.00 H new ATOM 548 N ALA X 143 -0.929 -12.901 0.304 1.00 0.00 N ATOM 549 CA ALA X 143 0.073 -11.867 0.268 1.00 0.00 C ATOM 550 C ALA X 143 1.457 -12.336 -0.129 1.00 0.00 C ATOM 551 O ALA X 143 1.768 -13.524 -0.098 1.00 0.00 O ATOM 552 CB ALA X 143 0.109 -11.247 1.592 1.00 0.00 C ATOM 0 H ALA X 143 -1.189 -13.185 1.248 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.211 -11.161 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.859 -10.456 1.603 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.869 -10.823 1.822 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.363 -11.999 2.339 1.00 0.00 H new ATOM 558 N LEU X 144 2.271 -11.368 -0.515 1.00 0.00 N ATOM 559 CA LEU X 144 3.633 -11.579 -0.961 1.00 0.00 C ATOM 560 C LEU X 144 4.616 -10.881 -0.002 1.00 0.00 C ATOM 561 O LEU X 144 4.401 -9.740 0.356 1.00 0.00 O ATOM 562 CB LEU X 144 3.749 -10.967 -2.331 1.00 0.00 C ATOM 563 CG LEU X 144 2.809 -11.470 -3.425 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.149 -10.751 -4.683 1.00 0.00 C ATOM 565 CD2 LEU X 144 2.942 -12.929 -3.657 1.00 0.00 C ATOM 0 H LEU X 144 1.992 -10.387 -0.526 1.00 0.00 H new ATOM 0 HA LEU X 144 3.871 -12.642 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.598 -9.892 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.772 -11.114 -2.677 1.00 0.00 H new ATOM 0 HG LEU X 144 1.782 -11.282 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.493 -11.090 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU X 144 3.018 -9.679 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.185 -10.957 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU X 144 2.253 -13.237 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU X 144 3.964 -13.158 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU X 144 2.707 -13.466 -2.738 1.00 0.00 H new ATOM 577 N ARG X 145 5.684 -11.558 0.402 1.00 0.00 N ATOM 578 CA ARG X 145 6.682 -11.005 1.353 1.00 0.00 C ATOM 579 C ARG X 145 8.037 -10.674 0.829 1.00 0.00 C ATOM 580 O ARG X 145 8.797 -11.596 0.553 1.00 0.00 O ATOM 581 CB ARG X 145 7.030 -12.067 2.400 1.00 0.00 C ATOM 582 CG ARG X 145 5.967 -12.415 3.340 1.00 0.00 C ATOM 583 CD ARG X 145 6.349 -13.664 4.109 1.00 0.00 C ATOM 584 NE ARG X 145 6.334 -14.838 3.231 1.00 0.00 N ATOM 585 CZ ARG X 145 6.670 -16.054 3.612 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.058 -16.271 4.839 1.00 0.00 N ATOM 587 NH2 ARG X 145 6.615 -17.044 2.766 1.00 0.00 N ATOM 0 H ARG X 145 5.896 -12.505 0.089 1.00 0.00 H new ATOM 0 HA ARG X 145 6.181 -10.096 1.685 1.00 0.00 H new ATOM 0 HB2 ARG X 145 7.338 -12.974 1.880 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.891 -11.718 2.970 1.00 0.00 H new ATOM 0 HG2 ARG X 145 5.796 -11.590 4.031 1.00 0.00 H new ATOM 0 HG3 ARG X 145 5.033 -12.579 2.802 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.341 -13.541 4.543 1.00 0.00 H new ATOM 0 HD3 ARG X 145 5.656 -13.814 4.937 1.00 0.00 H new ATOM 0 HE ARG X 145 6.045 -14.705 2.262 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.101 -15.499 5.504 1.00 0.00 H new ATOM 0 HH12 ARG X 145 7.318 -17.213 5.133 1.00 0.00 H new ATOM 0 HH21 ARG X 145 6.311 -16.879 1.806 1.00 0.00 H new ATOM 0 HH22 ARG X 145 6.876 -17.984 3.064 1.00 0.00 H new ATOM 601 N CYS X 146 8.419 -9.425 0.695 1.00 0.00 N ATOM 602 CA CYS X 146 9.778 -9.205 0.249 1.00 0.00 C ATOM 603 C CYS X 146 10.620 -9.340 1.536 1.00 0.00 C ATOM 604 O CYS X 146 10.936 -8.366 2.214 1.00 0.00 O ATOM 605 CB CYS X 146 9.943 -7.885 -0.423 1.00 0.00 C ATOM 606 SG CYS X 146 11.666 -7.606 -0.874 1.00 0.00 S ATOM 0 H CYS X 146 7.854 -8.595 0.874 1.00 0.00 H new ATOM 0 HA CYS X 146 10.090 -9.918 -0.514 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.318 -7.846 -1.315 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.603 -7.089 0.240 1.00 0.00 H new ATOM 0 HG CYS X 146 12.242 -6.881 0.039 1.00 0.00 H new ATOM 611 N ALA X 147 10.915 -10.584 1.878 1.00 0.00 N ATOM 612 CA ALA X 147 11.652 -10.938 3.085 1.00 0.00 C ATOM 613 C ALA X 147 13.023 -10.277 3.132 1.00 0.00 C ATOM 614 O ALA X 147 13.635 -10.181 4.183 1.00 0.00 O ATOM 615 CB ALA X 147 11.803 -12.451 3.159 1.00 0.00 C ATOM 0 H ALA X 147 10.645 -11.391 1.316 1.00 0.00 H new ATOM 0 HA ALA X 147 11.086 -10.575 3.943 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.354 -12.718 4.061 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.817 -12.914 3.186 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.347 -12.806 2.283 1.00 0.00 H new ATOM 621 N ASN X 148 13.498 -9.850 1.973 1.00 0.00 N ATOM 622 CA ASN X 148 14.782 -9.190 1.882 1.00 0.00 C ATOM 623 C ASN X 148 14.909 -7.847 2.530 1.00 0.00 C ATOM 624 O ASN X 148 16.029 -7.360 2.673 1.00 0.00 O ATOM 625 CB ASN X 148 15.222 -9.055 0.434 1.00 0.00 C ATOM 626 CG ASN X 148 15.707 -10.346 -0.163 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.543 -11.429 0.402 1.00 0.00 O ATOM 628 ND2 ASN X 148 16.280 -10.250 -1.329 1.00 0.00 N ATOM 0 H ASN X 148 13.010 -9.951 1.083 1.00 0.00 H new ATOM 0 HA ASN X 148 15.427 -9.856 2.456 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.388 -8.680 -0.158 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.017 -8.312 0.371 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.610 -11.089 -1.805 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.398 -9.336 -1.765 1.00 0.00 H new ATOM 635 N CYS X 149 13.806 -7.234 2.913 1.00 0.00 N ATOM 636 CA CYS X 149 13.910 -5.922 3.493 1.00 0.00 C ATOM 637 C CYS X 149 12.706 -5.395 4.262 1.00 0.00 C ATOM 638 O CYS X 149 12.798 -4.908 5.383 1.00 0.00 O ATOM 639 CB CYS X 149 14.163 -4.985 2.293 1.00 0.00 C ATOM 640 SG CYS X 149 12.913 -5.056 0.972 1.00 0.00 S ATOM 0 H CYS X 149 12.862 -7.611 2.835 1.00 0.00 H new ATOM 0 HA CYS X 149 14.693 -5.968 4.250 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.222 -3.960 2.660 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.135 -5.226 1.864 1.00 0.00 H new ATOM 0 HG CYS X 149 12.327 -3.900 0.867 1.00 0.00 H new ATOM 645 N LYS X 150 11.602 -5.411 3.558 1.00 0.00 N ATOM 646 CA LYS X 150 10.372 -4.761 4.037 1.00 0.00 C ATOM 647 C LYS X 150 9.104 -5.445 4.558 1.00 0.00 C ATOM 648 O LYS X 150 8.955 -5.625 5.754 1.00 0.00 O ATOM 649 CB LYS X 150 10.011 -3.783 2.926 1.00 0.00 C ATOM 650 CG LYS X 150 11.077 -2.688 2.801 1.00 0.00 C ATOM 651 CD LYS X 150 10.819 -1.803 1.630 1.00 0.00 C ATOM 652 CE LYS X 150 11.858 -0.674 1.553 1.00 0.00 C ATOM 653 NZ LYS X 150 13.267 -1.192 1.328 1.00 0.00 N ATOM 0 H LYS X 150 11.513 -5.863 2.648 1.00 0.00 H new ATOM 0 HA LYS X 150 10.688 -4.421 5.023 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.918 -4.317 1.980 1.00 0.00 H new ATOM 0 HB3 LYS X 150 9.041 -3.331 3.133 1.00 0.00 H new ATOM 0 HG2 LYS X 150 11.095 -2.091 3.713 1.00 0.00 H new ATOM 0 HG3 LYS X 150 12.061 -3.147 2.702 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.847 -2.391 0.712 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.819 -1.377 1.705 1.00 0.00 H new ATOM 0 HE2 LYS X 150 11.591 0.006 0.744 1.00 0.00 H new ATOM 0 HE3 LYS X 150 11.830 -0.096 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 13.816 -0.485 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 13.723 -1.368 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 13.228 -2.078 0.785 1.00 0.00 H new ATOM 667 N PHE X 151 8.157 -5.768 3.680 1.00 0.00 N ATOM 668 CA PHE X 151 6.874 -6.327 4.136 1.00 0.00 C ATOM 669 C PHE X 151 6.077 -7.333 3.313 1.00 0.00 C ATOM 670 O PHE X 151 6.398 -7.645 2.161 1.00 0.00 O ATOM 671 CB PHE X 151 5.948 -5.127 4.314 1.00 0.00 C ATOM 672 CG PHE X 151 5.907 -4.177 3.141 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.319 -4.535 1.941 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.440 -2.904 3.263 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.278 -3.648 0.886 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.398 -2.022 2.213 1.00 0.00 C ATOM 677 CZ PHE X 151 5.812 -2.391 1.027 1.00 0.00 C ATOM 0 H PHE X 151 8.244 -5.658 2.670 1.00 0.00 H new ATOM 0 HA PHE X 151 7.177 -6.922 4.998 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.938 -5.491 4.504 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.260 -4.574 5.200 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.888 -5.519 1.829 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.894 -2.602 4.195 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.826 -3.942 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.826 -1.036 2.319 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.771 -1.692 0.205 1.00 0.00 H new ATOM 687 N THR X 152 4.992 -7.799 3.939 1.00 0.00 N ATOM 688 CA THR X 152 4.064 -8.710 3.322 1.00 0.00 C ATOM 689 C THR X 152 2.826 -7.934 2.847 1.00 0.00 C ATOM 690 O THR X 152 1.927 -7.608 3.591 1.00 0.00 O ATOM 691 CB THR X 152 3.662 -9.775 4.345 1.00 0.00 C ATOM 692 OG1 THR X 152 2.561 -10.543 3.855 1.00 0.00 O ATOM 693 CG2 THR X 152 3.321 -9.210 5.692 1.00 0.00 C ATOM 0 H THR X 152 4.744 -7.544 4.895 1.00 0.00 H new ATOM 0 HA THR X 152 4.527 -9.193 2.461 1.00 0.00 H new ATOM 0 HB THR X 152 4.536 -10.412 4.480 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.315 -11.221 4.518 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.045 -10.020 6.367 1.00 0.00 H new ATOM 0 HG22 THR X 152 4.185 -8.681 6.094 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.484 -8.518 5.595 1.00 0.00 H new ATOM 701 N CYS X 153 2.799 -7.636 1.571 1.00 0.00 N ATOM 702 CA CYS X 153 1.703 -6.856 0.994 1.00 0.00 C ATOM 703 C CYS X 153 0.714 -7.661 0.145 1.00 0.00 C ATOM 704 O CYS X 153 1.005 -8.790 -0.237 1.00 0.00 O ATOM 705 CB CYS X 153 2.331 -5.816 0.070 1.00 0.00 C ATOM 706 SG CYS X 153 3.241 -6.557 -1.293 1.00 0.00 S ATOM 0 H CYS X 153 3.517 -7.916 0.903 1.00 0.00 H new ATOM 0 HA CYS X 153 1.140 -6.444 1.831 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.548 -5.171 -0.329 1.00 0.00 H new ATOM 0 HB3 CYS X 153 3.003 -5.181 0.648 1.00 0.00 H new ATOM 0 HG CYS X 153 4.514 -6.352 -1.127 1.00 0.00 H new ATOM 712 N HIS X 154 -0.427 -7.076 -0.206 1.00 0.00 N ATOM 713 CA HIS X 154 -1.370 -7.787 -1.099 1.00 0.00 C ATOM 714 C HIS X 154 -0.600 -8.044 -2.394 1.00 0.00 C ATOM 715 O HIS X 154 0.282 -7.261 -2.770 1.00 0.00 O ATOM 716 CB HIS X 154 -2.633 -6.994 -1.524 1.00 0.00 C ATOM 717 CG HIS X 154 -3.548 -6.600 -0.406 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.340 -5.488 0.411 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.707 -7.206 0.025 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.371 -5.493 1.311 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.190 -6.504 1.085 1.00 0.00 N ATOM 0 H HIS X 154 -0.725 -6.148 0.094 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.717 -8.662 -0.549 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.316 -6.092 -2.047 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.196 -7.595 -2.238 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.578 -4.812 0.350 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.156 -8.089 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.498 -4.767 2.101 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.036 -6.720 1.612 1.00 0.00 H new ATOM 729 N SER X 155 -0.950 -9.110 -3.101 1.00 0.00 N ATOM 730 CA SER X 155 -0.279 -9.414 -4.359 1.00 0.00 C ATOM 731 C SER X 155 -0.349 -8.178 -5.255 1.00 0.00 C ATOM 732 O SER X 155 0.642 -7.760 -5.819 1.00 0.00 O ATOM 733 CB SER X 155 -0.919 -10.635 -5.027 1.00 0.00 C ATOM 734 OG SER X 155 -2.297 -10.414 -5.299 1.00 0.00 O ATOM 0 H SER X 155 -1.681 -9.769 -2.832 1.00 0.00 H new ATOM 0 HA SER X 155 0.767 -9.663 -4.179 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.395 -10.860 -5.956 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.809 -11.505 -4.380 1.00 0.00 H new ATOM 0 HG SER X 155 -2.678 -11.209 -5.727 1.00 0.00 H new ATOM 740 N GLU X 156 -1.529 -7.590 -5.352 1.00 0.00 N ATOM 741 CA GLU X 156 -1.737 -6.378 -6.143 1.00 0.00 C ATOM 742 C GLU X 156 -0.854 -5.225 -5.641 1.00 0.00 C ATOM 743 O GLU X 156 -0.276 -4.480 -6.430 1.00 0.00 O ATOM 744 CB GLU X 156 -3.209 -5.973 -6.049 1.00 0.00 C ATOM 745 CG GLU X 156 -3.575 -4.723 -6.845 1.00 0.00 C ATOM 746 CD GLU X 156 -5.054 -4.381 -6.723 1.00 0.00 C ATOM 747 OE1 GLU X 156 -5.725 -5.055 -5.903 1.00 0.00 O ATOM 748 OE2 GLU X 156 -5.535 -3.591 -7.547 1.00 0.00 O ATOM 0 H GLU X 156 -2.370 -7.934 -4.889 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.464 -6.585 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.824 -6.803 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.461 -5.808 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -2.978 -3.882 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -3.324 -4.875 -7.895 1.00 0.00 H new ATOM 755 N CYS X 157 -0.752 -5.095 -4.322 1.00 0.00 N ATOM 756 CA CYS X 157 0.036 -4.044 -3.708 1.00 0.00 C ATOM 757 C CYS X 157 1.528 -4.107 -4.037 1.00 0.00 C ATOM 758 O CYS X 157 2.214 -3.093 -3.952 1.00 0.00 O ATOM 759 CB CYS X 157 -0.169 -4.052 -2.189 1.00 0.00 C ATOM 760 SG CYS X 157 -1.818 -3.599 -1.687 1.00 0.00 S ATOM 0 H CYS X 157 -1.213 -5.715 -3.655 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.326 -3.109 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS X 157 0.058 -5.047 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.542 -3.365 -1.731 1.00 0.00 H new ATOM 0 HG CYS X 157 -1.774 -3.020 -0.524 1.00 0.00 H new ATOM 765 N ARG X 158 2.056 -5.277 -4.386 1.00 0.00 N ATOM 766 CA ARG X 158 3.504 -5.343 -4.690 1.00 0.00 C ATOM 767 C ARG X 158 3.840 -4.412 -5.852 1.00 0.00 C ATOM 768 O ARG X 158 4.944 -3.901 -5.944 1.00 0.00 O ATOM 769 CB ARG X 158 3.987 -6.783 -4.996 1.00 0.00 C ATOM 770 CG ARG X 158 3.743 -7.375 -6.420 1.00 0.00 C ATOM 771 CD ARG X 158 4.735 -6.860 -7.500 1.00 0.00 C ATOM 772 NE ARG X 158 6.125 -7.235 -7.215 1.00 0.00 N ATOM 773 CZ ARG X 158 7.162 -6.804 -7.916 1.00 0.00 C ATOM 774 NH1 ARG X 158 6.989 -6.012 -8.925 1.00 0.00 N ATOM 775 NH2 ARG X 158 8.379 -7.157 -7.615 1.00 0.00 N ATOM 0 H ARG X 158 1.545 -6.156 -4.466 1.00 0.00 H new ATOM 0 HA ARG X 158 4.034 -5.016 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG X 158 5.059 -6.819 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.512 -7.450 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG X 158 3.812 -8.461 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.726 -7.135 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG X 158 4.447 -7.259 -8.472 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.662 -5.775 -7.567 1.00 0.00 H new ATOM 0 HE ARG X 158 6.302 -7.864 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG X 158 6.048 -5.715 -9.185 1.00 0.00 H new ATOM 0 HH12 ARG X 158 7.793 -5.684 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG X 158 8.549 -7.779 -6.824 1.00 0.00 H new ATOM 0 HH22 ARG X 158 9.162 -6.812 -8.170 1.00 0.00 H new ATOM 789 N SER X 159 2.885 -4.199 -6.748 1.00 0.00 N ATOM 790 CA SER X 159 3.115 -3.341 -7.912 1.00 0.00 C ATOM 791 C SER X 159 3.120 -1.858 -7.575 1.00 0.00 C ATOM 792 O SER X 159 3.443 -1.028 -8.414 1.00 0.00 O ATOM 793 CB SER X 159 2.027 -3.599 -8.949 1.00 0.00 C ATOM 794 OG SER X 159 2.156 -4.909 -9.483 1.00 0.00 O ATOM 0 H SER X 159 1.950 -4.603 -6.696 1.00 0.00 H new ATOM 0 HA SER X 159 4.104 -3.592 -8.296 1.00 0.00 H new ATOM 0 HB2 SER X 159 1.044 -3.480 -8.492 1.00 0.00 H new ATOM 0 HB3 SER X 159 2.097 -2.864 -9.750 1.00 0.00 H new ATOM 0 HG SER X 159 1.451 -5.063 -10.146 1.00 0.00 H new ATOM 800 N LEU X 160 2.785 -1.522 -6.339 1.00 0.00 N ATOM 801 CA LEU X 160 2.769 -0.134 -5.904 1.00 0.00 C ATOM 802 C LEU X 160 4.155 0.251 -5.414 1.00 0.00 C ATOM 803 O LEU X 160 4.393 1.390 -5.025 1.00 0.00 O ATOM 804 CB LEU X 160 1.757 0.042 -4.770 1.00 0.00 C ATOM 805 CG LEU X 160 0.339 -0.438 -5.092 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.565 -0.109 -3.937 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.182 0.183 -6.353 1.00 0.00 C ATOM 0 H LEU X 160 2.520 -2.193 -5.618 1.00 0.00 H new ATOM 0 HA LEU X 160 2.483 0.506 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.117 -0.497 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.715 1.097 -4.500 1.00 0.00 H new ATOM 0 HG LEU X 160 0.365 -1.516 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.577 -0.448 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.204 -0.609 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.571 0.969 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.190 -0.182 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.203 1.267 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.468 -0.084 -7.186 1.00 0.00 H new ATOM 819 N ILE X 161 5.077 -0.702 -5.429 1.00 0.00 N ATOM 820 CA ILE X 161 6.430 -0.439 -4.961 1.00 0.00 C ATOM 821 C ILE X 161 7.440 -1.291 -5.758 1.00 0.00 C ATOM 822 O ILE X 161 7.653 -2.472 -5.507 1.00 0.00 O ATOM 823 CB ILE X 161 6.505 -0.675 -3.405 1.00 0.00 C ATOM 824 CG1 ILE X 161 7.964 -0.594 -2.909 1.00 0.00 C ATOM 825 CG2 ILE X 161 5.809 -2.016 -3.028 1.00 0.00 C ATOM 826 CD1 ILE X 161 8.153 -0.885 -1.423 1.00 0.00 C ATOM 0 H ILE X 161 4.915 -1.654 -5.757 1.00 0.00 H new ATOM 0 HA ILE X 161 6.698 0.603 -5.138 1.00 0.00 H new ATOM 0 HB ILE X 161 5.961 0.119 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.567 -1.298 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE X 161 8.350 0.403 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE X 161 5.868 -2.166 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE X 161 4.763 -1.981 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE X 161 6.308 -2.841 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE X 161 9.210 -0.804 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE X 161 7.582 -0.166 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.802 -1.893 -1.202 1.00 0.00 H new ATOM 838 N GLN X 162 8.072 -0.652 -6.730 1.00 0.00 N ATOM 839 CA GLN X 162 9.078 -1.302 -7.583 1.00 0.00 C ATOM 840 C GLN X 162 10.497 -1.064 -7.087 1.00 0.00 C ATOM 841 O GLN X 162 11.461 -1.246 -7.817 1.00 0.00 O ATOM 842 CB GLN X 162 8.934 -0.793 -9.025 1.00 0.00 C ATOM 843 CG GLN X 162 7.674 -1.303 -9.739 1.00 0.00 C ATOM 844 CD GLN X 162 7.741 -2.791 -10.070 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.720 -3.435 -10.273 1.00 0.00 O ATOM 846 NE2 GLN X 162 8.936 -3.336 -10.126 1.00 0.00 N ATOM 0 H GLN X 162 7.909 0.329 -6.956 1.00 0.00 H new ATOM 0 HA GLN X 162 8.899 -2.377 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.919 0.297 -9.016 1.00 0.00 H new ATOM 0 HB3 GLN X 162 9.812 -1.095 -9.596 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.804 -1.115 -9.109 1.00 0.00 H new ATOM 0 HG3 GLN X 162 7.530 -0.737 -10.659 1.00 0.00 H new ATOM 0 HE21 GLN X 162 9.765 -2.767 -9.951 1.00 0.00 H new ATOM 0 HE22 GLN X 162 9.035 -4.327 -10.345 1.00 0.00 H new ATOM 855 N LEU X 163 10.619 -0.619 -5.849 1.00 0.00 N ATOM 856 CA LEU X 163 11.930 -0.335 -5.273 1.00 0.00 C ATOM 857 C LEU X 163 12.782 -1.580 -4.987 1.00 0.00 C ATOM 858 O LEU X 163 12.338 -2.723 -5.098 1.00 0.00 O ATOM 859 CB LEU X 163 11.769 0.508 -3.989 1.00 0.00 C ATOM 860 CG LEU X 163 11.438 2.010 -4.115 1.00 0.00 C ATOM 861 CD1 LEU X 163 12.602 2.726 -4.764 1.00 0.00 C ATOM 862 CD2 LEU X 163 10.174 2.323 -4.903 1.00 0.00 C ATOM 0 H LEU X 163 9.833 -0.446 -5.222 1.00 0.00 H new ATOM 0 HA LEU X 163 12.475 0.225 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU X 163 10.984 0.047 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU X 163 12.695 0.422 -3.421 1.00 0.00 H new ATOM 0 HG LEU X 163 11.258 2.356 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU X 163 12.371 3.787 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU X 163 13.494 2.600 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU X 163 12.780 2.308 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU X 163 10.024 3.402 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU X 163 10.273 1.938 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.318 1.853 -4.419 1.00 0.00 H new ATOM 874 N ASP X 164 14.018 -1.309 -4.610 1.00 0.00 N ATOM 875 CA ASP X 164 15.014 -2.314 -4.261 1.00 0.00 C ATOM 876 C ASP X 164 14.956 -2.758 -2.787 1.00 0.00 C ATOM 877 O ASP X 164 14.403 -2.055 -1.923 1.00 0.00 O ATOM 878 CB ASP X 164 16.390 -1.774 -4.671 1.00 0.00 C ATOM 879 CG ASP X 164 16.692 -0.391 -4.091 1.00 0.00 C ATOM 880 OD1 ASP X 164 16.023 0.043 -3.129 1.00 0.00 O ATOM 881 OD2 ASP X 164 17.511 0.301 -4.734 1.00 0.00 O ATOM 0 H ASP X 164 14.371 -0.355 -4.535 1.00 0.00 H new ATOM 0 HA ASP X 164 14.800 -3.232 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP X 164 17.160 -2.474 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP X 164 16.444 -1.725 -5.759 1.00 0.00 H new ATOM 886 N CYS X 165 15.497 -3.932 -2.478 1.00 0.00 N ATOM 887 CA CYS X 165 15.460 -4.406 -1.109 1.00 0.00 C ATOM 888 C CYS X 165 16.572 -3.825 -0.203 1.00 0.00 C ATOM 889 O CYS X 165 17.626 -4.438 -0.026 1.00 0.00 O ATOM 890 CB CYS X 165 15.624 -5.934 -1.127 1.00 0.00 C ATOM 891 SG CYS X 165 14.582 -6.871 -2.235 1.00 0.00 S ATOM 0 H CYS X 165 15.955 -4.556 -3.142 1.00 0.00 H new ATOM 0 HA CYS X 165 14.507 -4.079 -0.693 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.662 -6.156 -1.375 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.452 -6.301 -0.115 1.00 0.00 H new ATOM 0 HG CYS X 165 13.468 -7.170 -1.635 1.00 0.00 H new ATOM 896 N ARG X 166 16.311 -2.666 0.382 1.00 0.00 N ATOM 897 CA ARG X 166 17.282 -1.996 1.255 1.00 0.00 C ATOM 898 C ARG X 166 16.729 -1.782 2.657 1.00 0.00 C ATOM 899 O ARG X 166 17.404 -1.084 3.429 1.00 0.00 O ATOM 900 CB ARG X 166 17.646 -0.641 0.645 1.00 0.00 C ATOM 901 CG ARG X 166 18.279 -0.817 -0.720 1.00 0.00 C ATOM 902 CD ARG X 166 18.861 0.466 -1.275 1.00 0.00 C ATOM 903 NE ARG X 166 19.272 0.250 -2.658 1.00 0.00 N ATOM 904 CZ ARG X 166 20.393 -0.317 -3.054 1.00 0.00 C ATOM 905 NH1 ARG X 166 21.283 -0.738 -2.197 1.00 0.00 N ATOM 906 NH2 ARG X 166 20.605 -0.462 -4.327 1.00 0.00 N ATOM 907 OXT ARG X 166 15.504 -2.027 2.769 1.00 0.00 O ATOM 0 H ARG X 166 15.431 -2.162 0.271 1.00 0.00 H new ATOM 0 HA ARG X 166 18.162 -2.633 1.336 1.00 0.00 H new ATOM 0 HB2 ARG X 166 16.752 -0.024 0.559 1.00 0.00 H new ATOM 0 HB3 ARG X 166 18.335 -0.114 1.305 1.00 0.00 H new ATOM 0 HG2 ARG X 166 19.067 -1.568 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG X 166 17.531 -1.200 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG X 166 18.122 1.266 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG X 166 19.715 0.781 -0.675 1.00 0.00 H new ATOM 0 HE ARG X 166 18.632 0.568 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG X 166 21.118 -0.631 -1.196 1.00 0.00 H new ATOM 0 HH12 ARG X 166 22.144 -1.174 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG X 166 19.910 -0.139 -5.000 1.00 0.00 H new ATOM 0 HH22 ARG X 166 21.467 -0.899 -4.654 1.00 0.00 H new