USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=11 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 -147:sc= -0.8 USER MOD Set 1.2: X 135 CYS SG : rot 151:sc= 2.88 USER MOD Set 1.3: X 154 HIS : no HD1:sc= -3.03 K(o=-0.19,f=-14!) USER MOD Set 1.4: X 157 CYS SG : rot 134:sc= 0.763 USER MOD Set 2.1: X 118 HIS : +bothHN:sc= 0.446 K(o=4.2,f=-9.4!) USER MOD Set 2.2: X 146 CYS SG : rot -114:sc= 1.31 USER MOD Set 2.3: X 148 ASN : amide:sc= 1.48 K(o=4.2,f=-4.2!) USER MOD Set 2.4: X 149 CYS SG : rot 84:sc= -0.237 USER MOD Set 2.5: X 165 CYS SG : rot 112:sc= 1.22 USER MOD Single : X 142 GLN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : X 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 152 THR OG1 : rot -130:sc= 0 USER MOD Single : X 153 CYS SG : rot 180:sc= 0.0553 USER MOD Single : X 155 SER OG : rot 180:sc= 0 USER MOD Single : X 159 SER OG : rot 97:sc= 0.666 USER MOD Single : X 162 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 12.556 -7.188 -5.756 1.00 0.00 N ATOM 153 CA HIS X 118 11.973 -7.903 -4.617 1.00 0.00 C ATOM 154 C HIS X 118 11.693 -9.385 -4.815 1.00 0.00 C ATOM 155 O HIS X 118 10.989 -9.777 -5.741 1.00 0.00 O ATOM 156 CB HIS X 118 10.620 -7.314 -4.245 1.00 0.00 C ATOM 157 CG HIS X 118 10.654 -5.899 -3.770 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.259 -5.504 -2.584 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.065 -4.792 -4.307 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.024 -4.163 -2.477 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.325 -3.728 -3.505 1.00 0.00 N ATOM 0 HA HIS X 118 12.747 -7.789 -3.858 1.00 0.00 H new ATOM 0 HB2 HIS X 118 9.964 -7.374 -5.113 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.174 -7.932 -3.466 1.00 0.00 H new ATOM 0 HD1 HIS X 118 11.772 -6.093 -1.929 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.487 -4.766 -5.219 1.00 0.00 H new ATOM 0 HE1 HIS X 118 11.365 -3.544 -1.661 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.032 -2.765 -3.669 1.00 0.00 H new ATOM 169 N ARG X 119 12.214 -10.211 -3.914 1.00 0.00 N ATOM 170 CA ARG X 119 11.955 -11.650 -3.982 1.00 0.00 C ATOM 171 C ARG X 119 10.457 -11.934 -3.802 1.00 0.00 C ATOM 172 O ARG X 119 9.930 -12.832 -4.440 1.00 0.00 O ATOM 173 CB ARG X 119 12.797 -12.460 -2.976 1.00 0.00 C ATOM 174 CG ARG X 119 12.544 -12.127 -1.503 1.00 0.00 C ATOM 175 CD ARG X 119 13.291 -13.047 -0.543 1.00 0.00 C ATOM 176 NE ARG X 119 14.749 -12.922 -0.578 1.00 0.00 N ATOM 177 CZ ARG X 119 15.569 -13.788 -1.144 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.110 -14.853 -1.741 1.00 0.00 N ATOM 179 NH2 ARG X 119 16.852 -13.581 -1.103 1.00 0.00 N ATOM 0 H ARG X 119 12.809 -9.918 -3.139 1.00 0.00 H new ATOM 0 HA ARG X 119 12.262 -11.982 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.600 -13.521 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.852 -12.296 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.842 -11.096 -1.314 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.475 -12.192 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG X 119 12.948 -12.845 0.472 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.024 -14.079 -0.770 1.00 0.00 H new ATOM 0 HE ARG X 119 15.163 -12.104 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG X 119 14.105 -15.026 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.756 -15.513 -2.174 1.00 0.00 H new ATOM 0 HH21 ARG X 119 17.220 -12.753 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG X 119 17.490 -14.247 -1.539 1.00 0.00 H new ATOM 193 N PHE X 120 9.799 -11.195 -2.905 1.00 0.00 N ATOM 194 CA PHE X 120 8.369 -11.376 -2.632 1.00 0.00 C ATOM 195 C PHE X 120 7.987 -12.802 -2.273 1.00 0.00 C ATOM 196 O PHE X 120 7.169 -13.423 -2.935 1.00 0.00 O ATOM 197 CB PHE X 120 7.480 -10.867 -3.755 1.00 0.00 C ATOM 198 CG PHE X 120 7.372 -9.369 -3.822 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.946 -8.652 -2.712 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.636 -8.683 -4.989 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.811 -7.293 -2.760 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.486 -7.306 -5.042 1.00 0.00 C ATOM 203 CZ PHE X 120 7.082 -6.613 -3.922 1.00 0.00 C ATOM 0 H PHE X 120 10.237 -10.459 -2.351 1.00 0.00 H new ATOM 0 HA PHE X 120 8.192 -10.761 -1.750 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.867 -11.235 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.482 -11.287 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.718 -9.177 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE X 120 7.961 -9.222 -5.867 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.490 -6.752 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE X 120 7.686 -6.776 -5.962 1.00 0.00 H new ATOM 0 HZ PHE X 120 6.979 -5.539 -3.958 1.00 0.00 H new ATOM 213 N VAL X 121 8.577 -13.343 -1.229 1.00 0.00 N ATOM 214 CA VAL X 121 8.211 -14.716 -0.848 1.00 0.00 C ATOM 215 C VAL X 121 6.790 -14.786 -0.243 1.00 0.00 C ATOM 216 O VAL X 121 6.561 -14.368 0.886 1.00 0.00 O ATOM 217 CB VAL X 121 9.269 -15.414 0.053 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.487 -15.770 -0.783 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.729 -14.527 1.195 1.00 0.00 C ATOM 0 H VAL X 121 9.280 -12.891 -0.645 1.00 0.00 H new ATOM 0 HA VAL X 121 8.198 -15.288 -1.776 1.00 0.00 H new ATOM 0 HB VAL X 121 8.797 -16.303 0.472 1.00 0.00 H new ATOM 0 HG11 VAL X 121 11.230 -16.259 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL X 121 10.192 -16.444 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.914 -14.862 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.467 -15.060 1.795 1.00 0.00 H new ATOM 0 HG22 VAL X 121 10.176 -13.618 0.792 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.875 -14.265 1.819 1.00 0.00 H new ATOM 229 N GLU X 122 5.836 -15.287 -1.025 1.00 0.00 N ATOM 230 CA GLU X 122 4.435 -15.409 -0.608 1.00 0.00 C ATOM 231 C GLU X 122 4.214 -16.033 0.779 1.00 0.00 C ATOM 232 O GLU X 122 4.663 -17.138 1.087 1.00 0.00 O ATOM 233 CB GLU X 122 3.671 -16.254 -1.643 1.00 0.00 C ATOM 234 CG GLU X 122 2.192 -16.500 -1.290 1.00 0.00 C ATOM 235 CD GLU X 122 1.461 -17.327 -2.340 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.086 -17.658 -3.367 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.254 -17.584 -2.126 1.00 0.00 O ATOM 0 H GLU X 122 6.011 -15.623 -1.972 1.00 0.00 H new ATOM 0 HA GLU X 122 4.065 -14.386 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.724 -15.757 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.172 -17.216 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU X 122 2.133 -17.009 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.687 -15.541 -1.174 1.00 0.00 H new ATOM 244 N LEU X 123 3.497 -15.287 1.605 1.00 0.00 N ATOM 245 CA LEU X 123 3.142 -15.659 2.941 1.00 0.00 C ATOM 246 C LEU X 123 1.753 -16.313 2.912 1.00 0.00 C ATOM 247 O LEU X 123 0.742 -15.648 3.138 1.00 0.00 O ATOM 248 CB LEU X 123 3.117 -14.380 3.782 1.00 0.00 C ATOM 249 CG LEU X 123 2.687 -14.550 5.228 1.00 0.00 C ATOM 250 CD1 LEU X 123 3.709 -15.340 6.022 1.00 0.00 C ATOM 251 CD2 LEU X 123 2.455 -13.199 5.834 1.00 0.00 C ATOM 0 H LEU X 123 3.138 -14.370 1.339 1.00 0.00 H new ATOM 0 HA LEU X 123 3.853 -16.367 3.367 1.00 0.00 H new ATOM 0 HB2 LEU X 123 4.114 -13.939 3.768 1.00 0.00 H new ATOM 0 HB3 LEU X 123 2.446 -13.666 3.304 1.00 0.00 H new ATOM 0 HG LEU X 123 1.758 -15.120 5.256 1.00 0.00 H new ATOM 0 HD11 LEU X 123 3.369 -15.443 7.053 1.00 0.00 H new ATOM 0 HD12 LEU X 123 3.828 -16.329 5.579 1.00 0.00 H new ATOM 0 HD13 LEU X 123 4.665 -14.817 6.006 1.00 0.00 H new ATOM 0 HD21 LEU X 123 2.146 -13.314 6.873 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.376 -12.618 5.792 1.00 0.00 H new ATOM 0 HD23 LEU X 123 1.674 -12.680 5.278 1.00 0.00 H new ATOM 330 N PRO X 129 -7.518 -14.274 8.610 1.00 0.00 N ATOM 331 CA PRO X 129 -6.861 -13.083 8.061 1.00 0.00 C ATOM 332 C PRO X 129 -5.485 -12.758 8.607 1.00 0.00 C ATOM 333 O PRO X 129 -5.124 -13.109 9.728 1.00 0.00 O ATOM 334 CB PRO X 129 -7.821 -11.946 8.467 1.00 0.00 C ATOM 335 CG PRO X 129 -8.552 -12.494 9.642 1.00 0.00 C ATOM 336 CD PRO X 129 -8.794 -13.915 9.248 1.00 0.00 C ATOM 0 HA PRO X 129 -6.688 -13.232 6.995 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -7.277 -11.037 8.724 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.503 -11.691 7.656 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -7.961 -12.422 10.555 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -9.485 -11.960 9.823 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -9.012 -14.546 10.109 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.635 -14.011 8.562 1.00 0.00 H new ATOM 344 N GLY X 130 -4.738 -12.047 7.786 1.00 0.00 N ATOM 345 CA GLY X 130 -3.410 -11.592 8.127 1.00 0.00 C ATOM 346 C GLY X 130 -3.562 -10.318 7.359 1.00 0.00 C ATOM 347 O GLY X 130 -4.513 -10.267 6.592 1.00 0.00 O ATOM 0 H GLY X 130 -5.042 -11.767 6.853 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -3.247 -11.452 9.196 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.610 -12.238 7.765 1.00 0.00 H new ATOM 351 N TRP X 131 -2.739 -9.304 7.537 1.00 0.00 N ATOM 352 CA TRP X 131 -2.931 -8.058 6.801 1.00 0.00 C ATOM 353 C TRP X 131 -1.714 -7.658 5.992 1.00 0.00 C ATOM 354 O TRP X 131 -0.597 -8.123 6.216 1.00 0.00 O ATOM 355 CB TRP X 131 -3.307 -6.957 7.795 1.00 0.00 C ATOM 356 CG TRP X 131 -4.325 -7.499 8.731 1.00 0.00 C ATOM 357 CD1 TRP X 131 -5.670 -7.469 8.620 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.049 -8.208 9.933 1.00 0.00 C ATOM 359 NE1 TRP X 131 -6.251 -8.134 9.660 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.276 -8.598 10.493 1.00 0.00 C ATOM 361 CE3 TRP X 131 -2.877 -8.569 10.571 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -5.355 -9.334 11.670 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -2.934 -9.291 11.745 1.00 0.00 C ATOM 364 CH2 TRP X 131 -4.176 -9.670 12.290 1.00 0.00 C ATOM 0 H TRP X 131 -1.941 -9.310 8.173 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.734 -8.209 6.079 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -2.426 -6.624 8.344 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -3.701 -6.088 7.268 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -6.211 -6.986 7.820 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -7.254 -8.263 9.793 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -1.922 -8.287 10.153 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -6.308 -9.631 12.082 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -2.020 -9.567 12.250 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -4.202 -10.234 13.211 1.00 0.00 H new ATOM 375 N CYS X 132 -1.987 -6.782 5.052 1.00 0.00 N ATOM 376 CA CYS X 132 -1.016 -6.196 4.152 1.00 0.00 C ATOM 377 C CYS X 132 -0.374 -5.176 5.058 1.00 0.00 C ATOM 378 O CYS X 132 -0.947 -4.125 5.243 1.00 0.00 O ATOM 379 CB CYS X 132 -1.786 -5.544 2.991 1.00 0.00 C ATOM 380 SG CYS X 132 -0.852 -4.655 1.729 1.00 0.00 S ATOM 0 H CYS X 132 -2.934 -6.442 4.885 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.292 -6.872 3.698 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.357 -6.327 2.491 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.507 -4.849 3.421 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.558 -3.655 1.291 1.00 0.00 H new ATOM 385 N ASP X 133 0.787 -5.462 5.622 1.00 0.00 N ATOM 386 CA ASP X 133 1.425 -4.506 6.550 1.00 0.00 C ATOM 387 C ASP X 133 1.612 -3.142 5.886 1.00 0.00 C ATOM 388 O ASP X 133 1.596 -2.105 6.540 1.00 0.00 O ATOM 389 CB ASP X 133 2.683 -5.091 7.232 1.00 0.00 C ATOM 390 CG ASP X 133 3.788 -5.475 6.261 1.00 0.00 C ATOM 391 OD1 ASP X 133 3.659 -5.204 5.062 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.686 -6.233 6.713 1.00 0.00 O ATOM 0 H ASP X 133 1.308 -6.325 5.467 1.00 0.00 H new ATOM 0 HA ASP X 133 0.748 -4.327 7.385 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.073 -4.360 7.941 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.396 -5.971 7.807 1.00 0.00 H new ATOM 397 N LEU X 134 1.721 -3.175 4.574 1.00 0.00 N ATOM 398 CA LEU X 134 1.806 -1.996 3.740 1.00 0.00 C ATOM 399 C LEU X 134 0.513 -1.134 3.848 1.00 0.00 C ATOM 400 O LEU X 134 0.568 0.065 4.105 1.00 0.00 O ATOM 401 CB LEU X 134 2.000 -2.479 2.302 1.00 0.00 C ATOM 402 CG LEU X 134 1.697 -1.481 1.195 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.741 -0.385 1.155 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.660 -2.188 -0.119 1.00 0.00 C ATOM 0 H LEU X 134 1.754 -4.046 4.045 1.00 0.00 H new ATOM 0 HA LEU X 134 2.636 -1.367 4.061 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.034 -2.806 2.190 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.370 -3.356 2.150 1.00 0.00 H new ATOM 0 HG LEU X 134 0.727 -1.025 1.396 1.00 0.00 H new ATOM 0 HD11 LEU X 134 2.502 0.316 0.355 1.00 0.00 H new ATOM 0 HD12 LEU X 134 2.751 0.143 2.109 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.722 -0.823 0.972 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.443 -1.472 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.626 -2.656 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU X 134 0.884 -2.953 -0.099 1.00 0.00 H new ATOM 416 N CYS X 135 -0.637 -1.767 3.598 1.00 0.00 N ATOM 417 CA CYS X 135 -1.954 -1.100 3.614 1.00 0.00 C ATOM 418 C CYS X 135 -2.724 -1.049 4.951 1.00 0.00 C ATOM 419 O CYS X 135 -3.549 -0.170 5.182 1.00 0.00 O ATOM 420 CB CYS X 135 -2.891 -1.850 2.645 1.00 0.00 C ATOM 421 SG CYS X 135 -2.451 -1.757 0.927 1.00 0.00 S ATOM 0 H CYS X 135 -0.687 -2.762 3.377 1.00 0.00 H new ATOM 0 HA CYS X 135 -1.710 -0.070 3.355 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.922 -2.900 2.937 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -3.900 -1.456 2.765 1.00 0.00 H new ATOM 0 HG CYS X 135 -2.861 -2.828 0.315 1.00 0.00 H new ATOM 426 N GLY X 136 -2.502 -2.056 5.774 1.00 0.00 N ATOM 427 CA GLY X 136 -3.192 -2.207 7.046 1.00 0.00 C ATOM 428 C GLY X 136 -4.457 -3.035 6.844 1.00 0.00 C ATOM 429 O GLY X 136 -5.077 -3.502 7.791 1.00 0.00 O ATOM 0 H GLY X 136 -1.832 -2.800 5.579 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.539 -2.693 7.771 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.446 -1.228 7.452 1.00 0.00 H new ATOM 433 N ARG X 137 -4.825 -3.235 5.581 1.00 0.00 N ATOM 434 CA ARG X 137 -6.011 -4.018 5.202 1.00 0.00 C ATOM 435 C ARG X 137 -5.725 -5.508 5.081 1.00 0.00 C ATOM 436 O ARG X 137 -4.684 -5.900 4.588 1.00 0.00 O ATOM 437 CB ARG X 137 -6.525 -3.520 3.866 1.00 0.00 C ATOM 438 CG ARG X 137 -7.017 -2.081 3.899 1.00 0.00 C ATOM 439 CD ARG X 137 -7.387 -1.607 2.508 1.00 0.00 C ATOM 440 NE ARG X 137 -6.218 -1.446 1.635 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.288 -1.163 0.346 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.448 -1.021 -0.234 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.199 -1.024 -0.356 1.00 0.00 N ATOM 0 H ARG X 137 -4.311 -2.859 4.784 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.748 -3.885 5.994 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.730 -3.606 3.126 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.339 -4.166 3.536 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.882 -2.003 4.557 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.242 -1.436 4.314 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.077 -2.320 2.057 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.915 -0.656 2.581 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.293 -1.560 2.050 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.306 -1.128 0.308 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -7.497 -0.803 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.288 -1.134 0.089 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.258 -0.806 -1.351 1.00 0.00 H new ATOM 457 N GLU X 138 -6.665 -6.328 5.507 1.00 0.00 N ATOM 458 CA GLU X 138 -6.550 -7.794 5.448 1.00 0.00 C ATOM 459 C GLU X 138 -6.191 -8.373 4.070 1.00 0.00 C ATOM 460 O GLU X 138 -6.783 -8.015 3.050 1.00 0.00 O ATOM 461 CB GLU X 138 -7.850 -8.443 5.977 1.00 0.00 C ATOM 462 CG GLU X 138 -9.144 -8.153 5.169 1.00 0.00 C ATOM 463 CD GLU X 138 -9.786 -6.795 5.481 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.231 -6.049 6.323 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.795 -6.491 4.817 1.00 0.00 O ATOM 0 H GLU X 138 -7.544 -6.004 5.910 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.701 -8.042 6.085 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.703 -9.523 6.012 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.006 -8.109 7.003 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -8.913 -8.198 4.105 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -9.870 -8.941 5.371 1.00 0.00 H new ATOM 472 N VAL X 139 -5.222 -9.278 4.029 1.00 0.00 N ATOM 473 CA VAL X 139 -4.830 -9.894 2.769 1.00 0.00 C ATOM 474 C VAL X 139 -5.662 -11.122 2.450 1.00 0.00 C ATOM 475 O VAL X 139 -5.243 -12.251 2.623 1.00 0.00 O ATOM 476 CB VAL X 139 -3.313 -10.268 2.727 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.498 -9.043 2.523 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.857 -10.912 4.034 1.00 0.00 C ATOM 0 H VAL X 139 -4.698 -9.599 4.844 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.015 -9.136 2.008 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.178 -10.974 1.907 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.441 -9.309 2.495 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -2.779 -8.572 1.581 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.675 -8.348 3.343 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.797 -11.158 3.968 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.017 -10.216 4.858 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.431 -11.822 4.211 1.00 0.00 H new ATOM 488 N LEU X 140 -6.859 -10.883 1.938 1.00 0.00 N ATOM 489 CA LEU X 140 -7.740 -11.976 1.536 1.00 0.00 C ATOM 490 C LEU X 140 -7.118 -12.695 0.333 1.00 0.00 C ATOM 491 O LEU X 140 -7.415 -13.852 0.051 1.00 0.00 O ATOM 492 CB LEU X 140 -9.164 -11.482 1.207 1.00 0.00 C ATOM 493 CG LEU X 140 -9.431 -10.482 0.064 1.00 0.00 C ATOM 494 CD1 LEU X 140 -10.912 -10.194 0.066 1.00 0.00 C ATOM 495 CD2 LEU X 140 -8.702 -9.149 0.188 1.00 0.00 C ATOM 0 H LEU X 140 -7.244 -9.950 1.790 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.839 -12.669 2.371 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.765 -12.367 0.999 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.561 -11.034 2.118 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.064 -10.945 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.146 -9.488 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -11.463 -11.120 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.198 -9.766 1.027 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -8.954 -8.516 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -9.003 -8.654 1.111 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -7.626 -9.323 0.204 1.00 0.00 H new ATOM 507 N ARG X 141 -6.263 -11.974 -0.385 1.00 0.00 N ATOM 508 CA ARG X 141 -5.592 -12.510 -1.571 1.00 0.00 C ATOM 509 C ARG X 141 -4.203 -13.017 -1.176 1.00 0.00 C ATOM 510 O ARG X 141 -3.845 -13.022 -0.012 1.00 0.00 O ATOM 511 CB ARG X 141 -5.408 -11.374 -2.598 1.00 0.00 C ATOM 512 CG ARG X 141 -6.699 -10.660 -3.021 1.00 0.00 C ATOM 513 CD ARG X 141 -7.604 -11.505 -3.921 1.00 0.00 C ATOM 514 NE ARG X 141 -6.995 -11.793 -5.223 1.00 0.00 N ATOM 515 CZ ARG X 141 -6.988 -10.950 -6.245 1.00 0.00 C ATOM 516 NH1 ARG X 141 -7.529 -9.770 -6.141 1.00 0.00 N ATOM 517 NH2 ARG X 141 -6.432 -11.298 -7.373 1.00 0.00 N ATOM 0 H ARG X 141 -6.015 -11.009 -0.166 1.00 0.00 H new ATOM 0 HA ARG X 141 -6.188 -13.319 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -4.724 -10.636 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -4.930 -11.784 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -7.255 -10.374 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -6.440 -9.739 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -7.837 -12.443 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -8.548 -10.982 -4.074 1.00 0.00 H new ATOM 0 HE ARG X 141 -6.548 -12.701 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -7.965 -9.485 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -7.516 -9.131 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -6.003 -12.219 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -6.426 -10.649 -8.160 1.00 0.00 H new ATOM 531 N GLN X 142 -3.408 -13.391 -2.164 1.00 0.00 N ATOM 532 CA GLN X 142 -2.041 -13.848 -1.926 1.00 0.00 C ATOM 533 C GLN X 142 -1.166 -12.710 -1.410 1.00 0.00 C ATOM 534 O GLN X 142 -1.061 -11.665 -2.057 1.00 0.00 O ATOM 535 CB GLN X 142 -1.441 -14.411 -3.212 1.00 0.00 C ATOM 536 CG GLN X 142 -2.081 -15.714 -3.653 1.00 0.00 C ATOM 537 CD GLN X 142 -1.530 -16.197 -4.968 1.00 0.00 C ATOM 538 OE1 GLN X 142 -1.828 -15.637 -6.016 1.00 0.00 O ATOM 539 NE2 GLN X 142 -0.688 -17.190 -4.921 1.00 0.00 N ATOM 0 H GLN X 142 -3.684 -13.388 -3.146 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.076 -14.631 -1.169 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.548 -13.674 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.372 -14.570 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.917 -16.475 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -3.159 -15.577 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -0.467 -17.629 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -0.250 -17.528 -5.778 1.00 0.00 H new ATOM 548 N ALA X 143 -0.549 -12.897 -0.256 1.00 0.00 N ATOM 549 CA ALA X 143 0.326 -11.881 0.315 1.00 0.00 C ATOM 550 C ALA X 143 1.772 -12.173 -0.047 1.00 0.00 C ATOM 551 O ALA X 143 2.221 -13.285 0.084 1.00 0.00 O ATOM 552 CB ALA X 143 0.180 -11.834 1.774 1.00 0.00 C ATOM 0 H ALA X 143 -0.636 -13.743 0.307 1.00 0.00 H new ATOM 0 HA ALA X 143 0.041 -10.913 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.841 -11.069 2.181 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.852 -11.594 2.029 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.442 -12.804 2.197 1.00 0.00 H new ATOM 558 N LEU X 144 2.485 -11.174 -0.518 1.00 0.00 N ATOM 559 CA LEU X 144 3.885 -11.304 -0.918 1.00 0.00 C ATOM 560 C LEU X 144 4.794 -10.561 0.042 1.00 0.00 C ATOM 561 O LEU X 144 4.619 -9.372 0.271 1.00 0.00 O ATOM 562 CB LEU X 144 4.046 -10.717 -2.295 1.00 0.00 C ATOM 563 CG LEU X 144 3.397 -11.525 -3.429 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.604 -10.772 -4.708 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.970 -12.901 -3.610 1.00 0.00 C ATOM 0 H LEU X 144 2.112 -10.232 -0.639 1.00 0.00 H new ATOM 0 HA LEU X 144 4.159 -12.359 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.622 -9.713 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU X 144 5.110 -10.614 -2.507 1.00 0.00 H new ATOM 0 HG LEU X 144 2.347 -11.650 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU X 144 3.152 -11.324 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU X 144 3.139 -9.789 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.672 -10.654 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.457 -13.404 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU X 144 5.033 -12.825 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.837 -13.474 -2.692 1.00 0.00 H new ATOM 577 N ARG X 145 5.765 -11.259 0.606 1.00 0.00 N ATOM 578 CA ARG X 145 6.675 -10.656 1.582 1.00 0.00 C ATOM 579 C ARG X 145 8.065 -10.556 1.032 1.00 0.00 C ATOM 580 O ARG X 145 8.707 -11.584 0.897 1.00 0.00 O ATOM 581 CB ARG X 145 6.702 -11.528 2.841 1.00 0.00 C ATOM 582 CG ARG X 145 7.626 -10.975 3.928 1.00 0.00 C ATOM 583 CD ARG X 145 7.640 -11.828 5.188 1.00 0.00 C ATOM 584 NE ARG X 145 6.375 -11.764 5.924 1.00 0.00 N ATOM 585 CZ ARG X 145 6.155 -12.403 7.061 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.087 -13.150 7.585 1.00 0.00 N ATOM 587 NH2 ARG X 145 5.009 -12.293 7.671 1.00 0.00 N ATOM 0 H ARG X 145 5.948 -12.243 0.409 1.00 0.00 H new ATOM 0 HA ARG X 145 6.319 -9.652 1.814 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.691 -11.614 3.239 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.025 -12.534 2.573 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.640 -10.903 3.533 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.311 -9.963 4.184 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.848 -12.864 4.919 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.451 -11.498 5.837 1.00 0.00 H new ATOM 0 HE ARG X 145 5.622 -11.195 5.538 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.989 -13.243 7.118 1.00 0.00 H new ATOM 0 HH12 ARG X 145 6.914 -13.641 8.462 1.00 0.00 H new ATOM 0 HH21 ARG X 145 4.273 -11.711 7.272 1.00 0.00 H new ATOM 0 HH22 ARG X 145 4.848 -12.789 8.547 1.00 0.00 H new ATOM 601 N CYS X 146 8.586 -9.389 0.702 1.00 0.00 N ATOM 602 CA CYS X 146 9.957 -9.438 0.162 1.00 0.00 C ATOM 603 C CYS X 146 10.954 -9.543 1.326 1.00 0.00 C ATOM 604 O CYS X 146 11.481 -8.552 1.740 1.00 0.00 O ATOM 605 CB CYS X 146 10.254 -8.289 -0.781 1.00 0.00 C ATOM 606 SG CYS X 146 11.979 -8.354 -1.293 1.00 0.00 S ATOM 0 H CYS X 146 8.145 -8.473 0.781 1.00 0.00 H new ATOM 0 HA CYS X 146 10.062 -10.329 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.603 -8.345 -1.654 1.00 0.00 H new ATOM 0 HB3 CYS X 146 10.046 -7.339 -0.289 1.00 0.00 H new ATOM 0 HG CYS X 146 12.610 -7.319 -0.824 1.00 0.00 H new ATOM 611 N ALA X 147 11.182 -10.754 1.841 1.00 0.00 N ATOM 612 CA ALA X 147 12.026 -11.022 3.035 1.00 0.00 C ATOM 613 C ALA X 147 13.297 -10.202 3.258 1.00 0.00 C ATOM 614 O ALA X 147 13.712 -10.028 4.394 1.00 0.00 O ATOM 615 CB ALA X 147 12.376 -12.496 3.092 1.00 0.00 C ATOM 0 H ALA X 147 10.782 -11.602 1.439 1.00 0.00 H new ATOM 0 HA ALA X 147 11.379 -10.687 3.846 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.995 -12.689 3.968 1.00 0.00 H new ATOM 0 HB2 ALA X 147 11.461 -13.085 3.157 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.924 -12.775 2.192 1.00 0.00 H new ATOM 621 N ASN X 148 13.909 -9.709 2.205 1.00 0.00 N ATOM 622 CA ASN X 148 15.114 -8.887 2.347 1.00 0.00 C ATOM 623 C ASN X 148 14.896 -7.506 3.029 1.00 0.00 C ATOM 624 O ASN X 148 15.614 -7.097 3.941 1.00 0.00 O ATOM 625 CB ASN X 148 15.671 -8.583 0.951 1.00 0.00 C ATOM 626 CG ASN X 148 16.135 -9.807 0.207 1.00 0.00 C ATOM 627 OD1 ASN X 148 16.211 -10.908 0.743 1.00 0.00 O ATOM 628 ND2 ASN X 148 16.406 -9.630 -1.057 1.00 0.00 N ATOM 0 H ASN X 148 13.604 -9.855 1.243 1.00 0.00 H new ATOM 0 HA ASN X 148 15.781 -9.472 2.980 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.902 -8.081 0.364 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.505 -7.888 1.045 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.692 -10.422 -1.633 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.332 -8.700 -1.469 1.00 0.00 H new ATOM 635 N CYS X 149 13.919 -6.797 2.485 1.00 0.00 N ATOM 636 CA CYS X 149 13.527 -5.418 2.791 1.00 0.00 C ATOM 637 C CYS X 149 12.135 -5.383 3.372 1.00 0.00 C ATOM 638 O CYS X 149 11.472 -4.345 3.495 1.00 0.00 O ATOM 639 CB CYS X 149 13.568 -4.655 1.486 1.00 0.00 C ATOM 640 SG CYS X 149 12.406 -5.295 0.343 1.00 0.00 S ATOM 0 H CYS X 149 13.328 -7.199 1.758 1.00 0.00 H new ATOM 0 HA CYS X 149 14.199 -4.976 3.526 1.00 0.00 H new ATOM 0 HB2 CYS X 149 13.358 -3.601 1.671 1.00 0.00 H new ATOM 0 HB3 CYS X 149 14.570 -4.711 1.060 1.00 0.00 H new ATOM 0 HG CYS X 149 11.237 -4.777 0.577 1.00 0.00 H new ATOM 645 N LYS X 150 11.665 -6.593 3.545 1.00 0.00 N ATOM 646 CA LYS X 150 10.326 -6.913 3.948 1.00 0.00 C ATOM 647 C LYS X 150 9.264 -6.089 4.588 1.00 0.00 C ATOM 648 O LYS X 150 9.407 -5.227 5.456 1.00 0.00 O ATOM 649 CB LYS X 150 10.199 -8.334 4.542 1.00 0.00 C ATOM 650 CG LYS X 150 11.034 -8.593 5.833 1.00 0.00 C ATOM 651 CD LYS X 150 10.694 -7.635 6.990 1.00 0.00 C ATOM 652 CE LYS X 150 9.240 -7.754 7.473 1.00 0.00 C ATOM 653 NZ LYS X 150 8.942 -6.704 8.509 1.00 0.00 N ATOM 0 H LYS X 150 12.240 -7.423 3.400 1.00 0.00 H new ATOM 0 HA LYS X 150 10.062 -6.639 2.927 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.149 -8.525 4.764 1.00 0.00 H new ATOM 0 HB3 LYS X 150 10.501 -9.056 3.783 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.870 -9.619 6.162 1.00 0.00 H new ATOM 0 HG3 LYS X 150 12.094 -8.500 5.595 1.00 0.00 H new ATOM 0 HD2 LYS X 150 11.364 -7.834 7.826 1.00 0.00 H new ATOM 0 HD3 LYS X 150 10.880 -6.610 6.670 1.00 0.00 H new ATOM 0 HE2 LYS X 150 8.560 -7.644 6.629 1.00 0.00 H new ATOM 0 HE3 LYS X 150 9.070 -8.746 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 7.956 -6.798 8.825 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 9.579 -6.827 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 9.085 -5.760 8.097 1.00 0.00 H new ATOM 667 N PHE X 151 8.130 -6.497 4.050 1.00 0.00 N ATOM 668 CA PHE X 151 6.829 -6.034 4.297 1.00 0.00 C ATOM 669 C PHE X 151 6.094 -7.096 3.495 1.00 0.00 C ATOM 670 O PHE X 151 6.632 -7.588 2.462 1.00 0.00 O ATOM 671 CB PHE X 151 6.614 -4.648 3.701 1.00 0.00 C ATOM 672 CG PHE X 151 7.029 -4.523 2.269 1.00 0.00 C ATOM 673 CD1 PHE X 151 6.136 -4.825 1.261 1.00 0.00 C ATOM 674 CD2 PHE X 151 8.297 -4.082 1.926 1.00 0.00 C ATOM 675 CE1 PHE X 151 6.494 -4.703 -0.043 1.00 0.00 C ATOM 676 CE2 PHE X 151 8.657 -3.955 0.606 1.00 0.00 C ATOM 677 CZ PHE X 151 7.749 -4.263 -0.379 1.00 0.00 C ATOM 0 H PHE X 151 8.128 -7.244 3.356 1.00 0.00 H new ATOM 0 HA PHE X 151 6.540 -5.920 5.342 1.00 0.00 H new ATOM 0 HB2 PHE X 151 5.559 -4.389 3.785 1.00 0.00 H new ATOM 0 HB3 PHE X 151 7.169 -3.920 4.293 1.00 0.00 H new ATOM 0 HD1 PHE X 151 5.141 -5.162 1.512 1.00 0.00 H new ATOM 0 HD2 PHE X 151 9.007 -3.836 2.702 1.00 0.00 H new ATOM 0 HE1 PHE X 151 5.787 -4.954 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE X 151 9.648 -3.615 0.344 1.00 0.00 H new ATOM 0 HZ PHE X 151 8.024 -4.158 -1.418 1.00 0.00 H new ATOM 687 N THR X 152 4.937 -7.504 3.988 1.00 0.00 N ATOM 688 CA THR X 152 4.112 -8.490 3.354 1.00 0.00 C ATOM 689 C THR X 152 2.822 -7.808 2.896 1.00 0.00 C ATOM 690 O THR X 152 1.890 -7.583 3.647 1.00 0.00 O ATOM 691 CB THR X 152 3.867 -9.593 4.356 1.00 0.00 C ATOM 692 OG1 THR X 152 2.907 -10.519 3.854 1.00 0.00 O ATOM 693 CG2 THR X 152 3.431 -9.091 5.718 1.00 0.00 C ATOM 0 H THR X 152 4.546 -7.145 4.859 1.00 0.00 H new ATOM 0 HA THR X 152 4.581 -8.930 2.474 1.00 0.00 H new ATOM 0 HB THR X 152 4.828 -10.088 4.497 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.214 -10.671 4.530 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.274 -9.939 6.385 1.00 0.00 H new ATOM 0 HG22 THR X 152 4.204 -8.443 6.131 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.502 -8.530 5.619 1.00 0.00 H new ATOM 701 N CYS X 153 2.776 -7.489 1.623 1.00 0.00 N ATOM 702 CA CYS X 153 1.636 -6.786 1.061 1.00 0.00 C ATOM 703 C CYS X 153 0.729 -7.612 0.175 1.00 0.00 C ATOM 704 O CYS X 153 1.124 -8.671 -0.283 1.00 0.00 O ATOM 705 CB CYS X 153 2.207 -5.668 0.179 1.00 0.00 C ATOM 706 SG CYS X 153 3.206 -6.282 -1.195 1.00 0.00 S ATOM 0 H CYS X 153 3.514 -7.704 0.953 1.00 0.00 H new ATOM 0 HA CYS X 153 1.028 -6.458 1.904 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.385 -5.071 -0.217 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.816 -5.005 0.794 1.00 0.00 H new ATOM 0 HG CYS X 153 3.649 -5.278 -1.892 1.00 0.00 H new ATOM 712 N HIS X 154 -0.471 -7.126 -0.121 1.00 0.00 N ATOM 713 CA HIS X 154 -1.342 -7.858 -1.056 1.00 0.00 C ATOM 714 C HIS X 154 -0.526 -7.905 -2.353 1.00 0.00 C ATOM 715 O HIS X 154 0.103 -6.900 -2.724 1.00 0.00 O ATOM 716 CB HIS X 154 -2.659 -7.148 -1.458 1.00 0.00 C ATOM 717 CG HIS X 154 -3.574 -6.784 -0.334 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.462 -5.595 0.389 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.659 -7.458 0.163 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.481 -5.617 1.294 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.196 -6.721 1.173 1.00 0.00 N ATOM 0 H HIS X 154 -0.860 -6.261 0.253 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.620 -8.797 -0.578 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.407 -6.239 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.202 -7.794 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.025 -8.412 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.678 -4.836 2.014 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.007 -6.976 1.737 1.00 0.00 H new ATOM 729 N SER X 155 -0.535 -9.031 -3.054 1.00 0.00 N ATOM 730 CA SER X 155 0.201 -9.127 -4.317 1.00 0.00 C ATOM 731 C SER X 155 -0.294 -7.987 -5.193 1.00 0.00 C ATOM 732 O SER X 155 0.466 -7.308 -5.839 1.00 0.00 O ATOM 733 CB SER X 155 -0.061 -10.461 -5.016 1.00 0.00 C ATOM 734 OG SER X 155 0.578 -10.494 -6.283 1.00 0.00 O ATOM 0 H SER X 155 -1.032 -9.878 -2.780 1.00 0.00 H new ATOM 0 HA SER X 155 1.274 -9.065 -4.133 1.00 0.00 H new ATOM 0 HB2 SER X 155 0.304 -11.280 -4.397 1.00 0.00 H new ATOM 0 HB3 SER X 155 -1.134 -10.609 -5.140 1.00 0.00 H new ATOM 0 HG SER X 155 0.401 -11.355 -6.716 1.00 0.00 H new ATOM 740 N GLU X 156 -1.596 -7.791 -5.183 1.00 0.00 N ATOM 741 CA GLU X 156 -2.251 -6.730 -5.938 1.00 0.00 C ATOM 742 C GLU X 156 -1.649 -5.338 -5.610 1.00 0.00 C ATOM 743 O GLU X 156 -1.347 -4.547 -6.509 1.00 0.00 O ATOM 744 CB GLU X 156 -3.740 -6.826 -5.592 1.00 0.00 C ATOM 745 CG GLU X 156 -4.658 -5.782 -6.184 1.00 0.00 C ATOM 746 CD GLU X 156 -6.116 -6.049 -5.790 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.363 -7.145 -5.219 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.981 -5.256 -6.203 1.00 0.00 O ATOM 0 H GLU X 156 -2.242 -8.369 -4.645 1.00 0.00 H new ATOM 0 HA GLU X 156 -2.100 -6.850 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.097 -7.807 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.838 -6.785 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -4.359 -4.792 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.564 -5.783 -7.270 1.00 0.00 H new ATOM 755 N CYS X 157 -1.455 -5.071 -4.323 1.00 0.00 N ATOM 756 CA CYS X 157 -0.892 -3.815 -3.838 1.00 0.00 C ATOM 757 C CYS X 157 0.597 -3.577 -4.137 1.00 0.00 C ATOM 758 O CYS X 157 1.039 -2.432 -4.098 1.00 0.00 O ATOM 759 CB CYS X 157 -1.092 -3.719 -2.312 1.00 0.00 C ATOM 760 SG CYS X 157 -2.808 -3.585 -1.831 1.00 0.00 S ATOM 0 H CYS X 157 -1.687 -5.728 -3.578 1.00 0.00 H new ATOM 0 HA CYS X 157 -1.433 -3.047 -4.390 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.657 -4.600 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS X 157 -0.547 -2.853 -1.935 1.00 0.00 H new ATOM 0 HG CYS X 157 -3.048 -4.401 -0.848 1.00 0.00 H new ATOM 765 N ARG X 158 1.388 -4.614 -4.411 1.00 0.00 N ATOM 766 CA ARG X 158 2.834 -4.356 -4.658 1.00 0.00 C ATOM 767 C ARG X 158 3.030 -3.385 -5.813 1.00 0.00 C ATOM 768 O ARG X 158 4.038 -2.711 -5.900 1.00 0.00 O ATOM 769 CB ARG X 158 3.675 -5.592 -4.974 1.00 0.00 C ATOM 770 CG ARG X 158 3.465 -6.219 -6.349 1.00 0.00 C ATOM 771 CD ARG X 158 4.321 -7.449 -6.514 1.00 0.00 C ATOM 772 NE ARG X 158 4.120 -8.069 -7.822 1.00 0.00 N ATOM 773 CZ ARG X 158 4.755 -9.153 -8.226 1.00 0.00 C ATOM 774 NH1 ARG X 158 5.628 -9.729 -7.449 1.00 0.00 N ATOM 775 NH2 ARG X 158 4.514 -9.655 -9.406 1.00 0.00 N ATOM 0 H ARG X 158 1.092 -5.588 -4.469 1.00 0.00 H new ATOM 0 HA ARG X 158 3.180 -3.948 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG X 158 4.727 -5.324 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.468 -6.349 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG X 158 2.415 -6.482 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG X 158 3.709 -5.494 -7.125 1.00 0.00 H new ATOM 0 HD2 ARG X 158 5.371 -7.182 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.083 -8.167 -5.729 1.00 0.00 H new ATOM 0 HE ARG X 158 3.450 -7.639 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG X 158 5.822 -9.342 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG X 158 6.117 -10.567 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG X 158 3.832 -9.209 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG X 158 5.007 -10.493 -9.714 1.00 0.00 H new ATOM 789 N SER X 159 2.060 -3.357 -6.712 1.00 0.00 N ATOM 790 CA SER X 159 2.094 -2.507 -7.896 1.00 0.00 C ATOM 791 C SER X 159 2.441 -1.043 -7.614 1.00 0.00 C ATOM 792 O SER X 159 3.160 -0.419 -8.377 1.00 0.00 O ATOM 793 CB SER X 159 0.712 -2.544 -8.542 1.00 0.00 C ATOM 794 OG SER X 159 0.330 -3.886 -8.807 1.00 0.00 O ATOM 0 H SER X 159 1.218 -3.928 -6.642 1.00 0.00 H new ATOM 0 HA SER X 159 2.882 -2.899 -8.539 1.00 0.00 H new ATOM 0 HB2 SER X 159 -0.018 -2.074 -7.883 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.720 -1.971 -9.469 1.00 0.00 H new ATOM 0 HG SER X 159 -0.244 -4.212 -8.083 1.00 0.00 H new ATOM 800 N LEU X 160 1.900 -0.489 -6.538 1.00 0.00 N ATOM 801 CA LEU X 160 2.164 0.920 -6.191 1.00 0.00 C ATOM 802 C LEU X 160 3.497 1.182 -5.474 1.00 0.00 C ATOM 803 O LEU X 160 3.829 2.326 -5.169 1.00 0.00 O ATOM 804 CB LEU X 160 1.018 1.506 -5.352 1.00 0.00 C ATOM 805 CG LEU X 160 0.728 0.853 -3.997 1.00 0.00 C ATOM 806 CD1 LEU X 160 0.731 1.897 -2.910 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.641 0.201 -4.039 1.00 0.00 C ATOM 0 H LEU X 160 1.282 -0.978 -5.891 1.00 0.00 H new ATOM 0 HA LEU X 160 2.235 1.421 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.233 2.560 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU X 160 0.107 1.461 -5.949 1.00 0.00 H new ATOM 0 HG LEU X 160 1.497 0.108 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU X 160 0.524 1.424 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU X 160 1.707 2.381 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.036 2.643 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -0.852 -0.265 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -1.398 0.957 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -0.659 -0.558 -4.821 1.00 0.00 H new ATOM 819 N ILE X 161 4.238 0.134 -5.161 1.00 0.00 N ATOM 820 CA ILE X 161 5.500 0.294 -4.439 1.00 0.00 C ATOM 821 C ILE X 161 6.682 0.680 -5.329 1.00 0.00 C ATOM 822 O ILE X 161 7.284 -0.159 -5.981 1.00 0.00 O ATOM 823 CB ILE X 161 5.850 -1.013 -3.696 1.00 0.00 C ATOM 824 CG1 ILE X 161 4.672 -1.406 -2.790 1.00 0.00 C ATOM 825 CG2 ILE X 161 7.116 -0.808 -2.824 1.00 0.00 C ATOM 826 CD1 ILE X 161 4.937 -2.600 -1.966 1.00 0.00 C ATOM 0 H ILE X 161 3.996 -0.830 -5.390 1.00 0.00 H new ATOM 0 HA ILE X 161 5.340 1.118 -3.743 1.00 0.00 H new ATOM 0 HB ILE X 161 6.042 -1.800 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE X 161 4.432 -0.568 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE X 161 3.793 -1.589 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE X 161 7.354 -1.736 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE X 161 7.954 -0.523 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE X 161 6.931 -0.020 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE X 161 4.064 -2.819 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE X 161 5.147 -3.450 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE X 161 5.796 -2.414 -1.322 1.00 0.00 H new ATOM 838 N GLN X 162 7.017 1.962 -5.327 1.00 0.00 N ATOM 839 CA GLN X 162 8.158 2.465 -6.101 1.00 0.00 C ATOM 840 C GLN X 162 9.472 1.999 -5.451 1.00 0.00 C ATOM 841 O GLN X 162 10.480 1.803 -6.103 1.00 0.00 O ATOM 842 CB GLN X 162 8.131 3.998 -6.144 1.00 0.00 C ATOM 843 CG GLN X 162 6.923 4.608 -6.876 1.00 0.00 C ATOM 844 CD GLN X 162 6.975 4.422 -8.384 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.990 3.320 -8.891 1.00 0.00 O ATOM 846 NE2 GLN X 162 7.004 5.517 -9.101 1.00 0.00 N ATOM 0 H GLN X 162 6.518 2.679 -4.800 1.00 0.00 H new ATOM 0 HA GLN X 162 8.093 2.075 -7.117 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.145 4.375 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN X 162 9.044 4.349 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.009 4.155 -6.493 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.870 5.673 -6.650 1.00 0.00 H new ATOM 0 HE21 GLN X 162 6.990 6.428 -8.642 1.00 0.00 H new ATOM 0 HE22 GLN X 162 7.040 5.459 -10.119 1.00 0.00 H new ATOM 855 N LEU X 163 9.427 1.888 -4.129 1.00 0.00 N ATOM 856 CA LEU X 163 10.564 1.477 -3.294 1.00 0.00 C ATOM 857 C LEU X 163 11.142 0.085 -3.645 1.00 0.00 C ATOM 858 O LEU X 163 10.492 -0.936 -3.440 1.00 0.00 O ATOM 859 CB LEU X 163 10.116 1.623 -1.817 1.00 0.00 C ATOM 860 CG LEU X 163 10.923 1.192 -0.575 1.00 0.00 C ATOM 861 CD1 LEU X 163 10.997 -0.294 -0.355 1.00 0.00 C ATOM 862 CD2 LEU X 163 12.329 1.739 -0.685 1.00 0.00 C ATOM 0 H LEU X 163 8.584 2.084 -3.590 1.00 0.00 H new ATOM 0 HA LEU X 163 11.417 2.127 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU X 163 9.906 2.683 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU X 163 9.164 1.097 -1.746 1.00 0.00 H new ATOM 0 HG LEU X 163 10.389 1.599 0.283 1.00 0.00 H new ATOM 0 HD11 LEU X 163 11.584 -0.501 0.540 1.00 0.00 H new ATOM 0 HD12 LEU X 163 9.991 -0.694 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.470 -0.766 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU X 163 12.906 1.438 0.190 1.00 0.00 H new ATOM 0 HD22 LEU X 163 12.803 1.346 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU X 163 12.293 2.827 -0.739 1.00 0.00 H new ATOM 874 N ASP X 164 12.360 0.078 -4.180 1.00 0.00 N ATOM 875 CA ASP X 164 13.080 -1.155 -4.568 1.00 0.00 C ATOM 876 C ASP X 164 13.464 -2.065 -3.391 1.00 0.00 C ATOM 877 O ASP X 164 13.364 -1.682 -2.230 1.00 0.00 O ATOM 878 CB ASP X 164 14.361 -0.784 -5.330 1.00 0.00 C ATOM 879 CG ASP X 164 14.079 -0.124 -6.664 1.00 0.00 C ATOM 880 OD1 ASP X 164 13.032 -0.468 -7.243 1.00 0.00 O ATOM 881 OD2 ASP X 164 15.039 0.469 -7.203 1.00 0.00 O ATOM 0 H ASP X 164 12.889 0.931 -4.362 1.00 0.00 H new ATOM 0 HA ASP X 164 12.383 -1.718 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP X 164 14.962 -0.112 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP X 164 14.955 -1.683 -5.493 1.00 0.00 H new ATOM 886 N CYS X 165 13.925 -3.273 -3.693 1.00 0.00 N ATOM 887 CA CYS X 165 14.343 -4.211 -2.659 1.00 0.00 C ATOM 888 C CYS X 165 15.672 -3.755 -2.015 1.00 0.00 C ATOM 889 O CYS X 165 16.753 -3.944 -2.568 1.00 0.00 O ATOM 890 CB CYS X 165 14.443 -5.609 -3.279 1.00 0.00 C ATOM 891 SG CYS X 165 14.813 -6.946 -2.150 1.00 0.00 S ATOM 0 H CYS X 165 14.019 -3.626 -4.645 1.00 0.00 H new ATOM 0 HA CYS X 165 13.607 -4.242 -1.855 1.00 0.00 H new ATOM 0 HB2 CYS X 165 13.499 -5.832 -3.777 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.213 -5.588 -4.050 1.00 0.00 H new ATOM 0 HG CYS X 165 13.780 -7.730 -2.052 1.00 0.00 H new ATOM 896 N ARG X 166 15.537 -3.138 -0.851 1.00 0.00 N ATOM 897 CA ARG X 166 16.663 -2.627 -0.065 1.00 0.00 C ATOM 898 C ARG X 166 17.649 -3.728 0.312 1.00 0.00 C ATOM 899 O ARG X 166 17.145 -4.733 0.863 1.00 0.00 O ATOM 900 CB ARG X 166 16.141 -1.976 1.209 1.00 0.00 C ATOM 901 CG ARG X 166 15.219 -0.786 0.957 1.00 0.00 C ATOM 902 CD ARG X 166 14.738 -0.167 2.268 1.00 0.00 C ATOM 903 NE ARG X 166 13.908 -1.097 3.045 1.00 0.00 N ATOM 904 CZ ARG X 166 14.348 -1.816 4.064 1.00 0.00 C ATOM 905 NH1 ARG X 166 15.589 -1.731 4.458 1.00 0.00 N ATOM 906 NH2 ARG X 166 13.543 -2.624 4.689 1.00 0.00 N ATOM 907 OXT ARG X 166 18.848 -3.396 0.346 1.00 0.00 O ATOM 0 H ARG X 166 14.630 -2.973 -0.414 1.00 0.00 H new ATOM 0 HA ARG X 166 17.189 -1.900 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG X 166 15.604 -2.723 1.794 1.00 0.00 H new ATOM 0 HB3 ARG X 166 16.988 -1.647 1.812 1.00 0.00 H new ATOM 0 HG2 ARG X 166 15.745 -0.034 0.369 1.00 0.00 H new ATOM 0 HG3 ARG X 166 14.360 -1.107 0.368 1.00 0.00 H new ATOM 0 HD2 ARG X 166 15.599 0.134 2.864 1.00 0.00 H new ATOM 0 HD3 ARG X 166 14.167 0.736 2.054 1.00 0.00 H new ATOM 0 HE ARG X 166 12.928 -1.195 2.781 1.00 0.00 H new ATOM 0 HH11 ARG X 166 16.235 -1.104 3.978 1.00 0.00 H new ATOM 0 HH12 ARG X 166 15.914 -2.292 5.246 1.00 0.00 H new ATOM 0 HH21 ARG X 166 12.570 -2.704 4.393 1.00 0.00 H new ATOM 0 HH22 ARG X 166 13.885 -3.178 5.475 1.00 0.00 H new