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 -139:sc= 0.0657 USER MOD Set 1.2: X 135 CYS SG : rot 155:sc= 2.99 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -3.55! C(o=-0.32!,f=-12!) USER MOD Set 1.4: X 157 CYS SG : rot -128:sc= 0.169 USER MOD Set 2.1: X 118 HIS : no HD1:sc= 1.31 K(o=-1.5,f=-19!) USER MOD Set 2.2: X 146 CYS SG : rot -179:sc= -0.0534 USER MOD Set 2.3: X 149 CYS SG : rot -51:sc= -3.5! USER MOD Set 2.4: X 150 LYS NZ :NH3+ 143:sc= 0.443 (180deg=-0.434) USER MOD Set 2.5: X 165 CYS SG : rot -20:sc= 0.256 USER MOD Single : X 142 GLN : amide:sc= -0.985 K(o=-0.98,f=-3.1!) USER MOD Single : X 148 ASN :FLIP amide:sc= -0.0887 F(o=-2.1!,f=-0.089) USER MOD Single : X 152 THR OG1 : rot 180:sc= 0 USER MOD Single : X 153 CYS SG : rot -26:sc= 0.126 USER MOD Single : X 155 SER OG : rot 180:sc= 0 USER MOD Single : X 159 SER OG : rot -91:sc= 1.17 USER MOD Single : X 162 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 12.793 -7.374 -5.542 1.00 0.00 N ATOM 153 CA HIS X 118 12.094 -7.952 -4.396 1.00 0.00 C ATOM 154 C HIS X 118 11.649 -9.377 -4.638 1.00 0.00 C ATOM 155 O HIS X 118 10.862 -9.638 -5.546 1.00 0.00 O ATOM 156 CB HIS X 118 10.831 -7.176 -4.088 1.00 0.00 C ATOM 157 CG HIS X 118 11.055 -5.750 -3.732 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.914 -5.336 -2.723 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.464 -4.634 -4.238 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.824 -3.982 -2.697 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.970 -3.555 -3.598 1.00 0.00 N ATOM 0 HA HIS X 118 12.813 -7.914 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.171 -7.222 -4.954 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.311 -7.665 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.718 -4.613 -5.018 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.379 -3.343 -2.026 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.730 -2.581 -3.783 1.00 0.00 H new ATOM 169 N ARG X 119 12.118 -10.307 -3.821 1.00 0.00 N ATOM 170 CA ARG X 119 11.705 -11.693 -3.997 1.00 0.00 C ATOM 171 C ARG X 119 10.203 -11.893 -3.765 1.00 0.00 C ATOM 172 O ARG X 119 9.597 -12.708 -4.446 1.00 0.00 O ATOM 173 CB ARG X 119 12.581 -12.650 -3.195 1.00 0.00 C ATOM 174 CG ARG X 119 12.501 -12.541 -1.687 1.00 0.00 C ATOM 175 CD ARG X 119 13.544 -13.481 -1.085 1.00 0.00 C ATOM 176 NE ARG X 119 13.275 -14.878 -1.435 1.00 0.00 N ATOM 177 CZ ARG X 119 14.062 -15.889 -1.116 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.156 -15.685 -0.437 1.00 0.00 N ATOM 179 NH2 ARG X 119 13.749 -17.102 -1.483 1.00 0.00 N ATOM 0 H ARG X 119 12.765 -10.138 -3.051 1.00 0.00 H new ATOM 0 HA ARG X 119 11.865 -11.947 -5.045 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.318 -13.670 -3.477 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.618 -12.494 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.686 -11.515 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.503 -12.807 -1.339 1.00 0.00 H new ATOM 0 HD2 ARG X 119 14.536 -13.201 -1.440 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.551 -13.372 -0.001 1.00 0.00 H new ATOM 0 HE ARG X 119 12.424 -15.083 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.409 -14.740 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.759 -16.471 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG X 119 12.896 -17.269 -2.017 1.00 0.00 H new ATOM 0 HH22 ARG X 119 14.358 -17.883 -1.236 1.00 0.00 H new ATOM 193 N PHE X 120 9.606 -11.169 -2.811 1.00 0.00 N ATOM 194 CA PHE X 120 8.160 -11.283 -2.546 1.00 0.00 C ATOM 195 C PHE X 120 7.710 -12.712 -2.272 1.00 0.00 C ATOM 196 O PHE X 120 6.918 -13.276 -3.011 1.00 0.00 O ATOM 197 CB PHE X 120 7.303 -10.667 -3.658 1.00 0.00 C ATOM 198 CG PHE X 120 7.308 -9.165 -3.679 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.812 -8.448 -2.600 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.749 -8.469 -4.787 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.783 -7.071 -2.622 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.705 -7.086 -4.811 1.00 0.00 C ATOM 203 CZ PHE X 120 7.233 -6.392 -3.724 1.00 0.00 C ATOM 0 H PHE X 120 10.093 -10.502 -2.212 1.00 0.00 H new ATOM 0 HA PHE X 120 8.001 -10.706 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.659 -11.034 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.276 -11.014 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.444 -8.976 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.131 -9.008 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.405 -6.526 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.043 -6.551 -5.687 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.216 -5.312 -3.738 1.00 0.00 H new ATOM 213 N VAL X 121 8.245 -13.320 -1.237 1.00 0.00 N ATOM 214 CA VAL X 121 7.859 -14.716 -0.938 1.00 0.00 C ATOM 215 C VAL X 121 6.411 -14.889 -0.458 1.00 0.00 C ATOM 216 O VAL X 121 6.059 -14.579 0.675 1.00 0.00 O ATOM 217 CB VAL X 121 8.860 -15.492 -0.031 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.092 -15.840 -0.830 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.293 -14.696 1.177 1.00 0.00 C ATOM 0 H VAL X 121 8.924 -12.906 -0.599 1.00 0.00 H new ATOM 0 HA VAL X 121 7.915 -15.188 -1.919 1.00 0.00 H new ATOM 0 HB VAL X 121 8.342 -16.385 0.319 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.794 -16.383 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.811 -16.463 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.562 -14.925 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL X 121 9.990 -15.287 1.772 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.782 -13.778 0.852 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.420 -14.448 1.781 1.00 0.00 H new ATOM 229 N GLU X 122 5.577 -15.361 -1.373 1.00 0.00 N ATOM 230 CA GLU X 122 4.156 -15.594 -1.144 1.00 0.00 C ATOM 231 C GLU X 122 3.807 -16.506 0.043 1.00 0.00 C ATOM 232 O GLU X 122 4.488 -17.496 0.316 1.00 0.00 O ATOM 233 CB GLU X 122 3.578 -16.228 -2.423 1.00 0.00 C ATOM 234 CG GLU X 122 2.081 -16.538 -2.382 1.00 0.00 C ATOM 235 CD GLU X 122 1.578 -17.147 -3.686 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.394 -17.278 -4.623 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.395 -17.550 -3.703 1.00 0.00 O ATOM 0 H GLU X 122 5.876 -15.599 -2.319 1.00 0.00 H new ATOM 0 HA GLU X 122 3.728 -14.622 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.770 -15.557 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.118 -17.153 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU X 122 1.877 -17.225 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.528 -15.622 -2.175 1.00 0.00 H new ATOM 244 N LEU X 123 2.724 -16.171 0.735 1.00 0.00 N ATOM 245 CA LEU X 123 2.251 -16.956 1.865 1.00 0.00 C ATOM 246 C LEU X 123 1.077 -17.852 1.512 1.00 0.00 C ATOM 247 O LEU X 123 0.199 -17.499 0.731 1.00 0.00 O ATOM 248 CB LEU X 123 1.778 -16.066 2.999 1.00 0.00 C ATOM 249 CG LEU X 123 2.796 -15.237 3.759 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.001 -14.652 4.876 1.00 0.00 C ATOM 251 CD2 LEU X 123 3.934 -16.073 4.305 1.00 0.00 C ATOM 0 H LEU X 123 2.153 -15.352 0.529 1.00 0.00 H new ATOM 0 HA LEU X 123 3.108 -17.561 2.160 1.00 0.00 H new ATOM 0 HB2 LEU X 123 1.035 -15.381 2.591 1.00 0.00 H new ATOM 0 HB3 LEU X 123 1.264 -16.700 3.722 1.00 0.00 H new ATOM 0 HG LEU X 123 3.272 -14.494 3.119 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.647 -14.028 5.494 1.00 0.00 H new ATOM 0 HD12 LEU X 123 1.192 -14.045 4.468 1.00 0.00 H new ATOM 0 HD13 LEU X 123 1.582 -15.454 5.483 1.00 0.00 H new ATOM 0 HD21 LEU X 123 4.633 -15.430 4.840 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.538 -16.825 4.987 1.00 0.00 H new ATOM 0 HD23 LEU X 123 4.451 -16.566 3.482 1.00 0.00 H new ATOM 330 N PRO X 129 -7.447 -14.756 6.671 1.00 0.00 N ATOM 331 CA PRO X 129 -6.801 -13.465 6.916 1.00 0.00 C ATOM 332 C PRO X 129 -5.291 -13.491 7.067 1.00 0.00 C ATOM 333 O PRO X 129 -4.654 -14.516 7.298 1.00 0.00 O ATOM 334 CB PRO X 129 -7.415 -13.024 8.251 1.00 0.00 C ATOM 335 CG PRO X 129 -7.714 -14.301 8.935 1.00 0.00 C ATOM 336 CD PRO X 129 -8.241 -15.186 7.837 1.00 0.00 C ATOM 0 HA PRO X 129 -6.965 -12.812 6.059 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.722 -12.413 8.829 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.316 -12.429 8.101 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.822 -14.725 9.397 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.450 -14.167 9.728 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -8.093 -16.242 8.061 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.309 -15.041 7.676 1.00 0.00 H new ATOM 344 N GLY X 130 -4.747 -12.296 6.969 1.00 0.00 N ATOM 345 CA GLY X 130 -3.335 -12.034 7.101 1.00 0.00 C ATOM 346 C GLY X 130 -3.461 -10.552 6.901 1.00 0.00 C ATOM 347 O GLY X 130 -4.558 -10.135 6.549 1.00 0.00 O ATOM 0 H GLY X 130 -5.296 -11.455 6.789 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.926 -12.312 8.072 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.725 -12.528 6.345 1.00 0.00 H new ATOM 351 N TRP X 131 -2.436 -9.749 7.117 1.00 0.00 N ATOM 352 CA TRP X 131 -2.582 -8.302 6.951 1.00 0.00 C ATOM 353 C TRP X 131 -1.479 -7.669 6.089 1.00 0.00 C ATOM 354 O TRP X 131 -0.304 -7.958 6.299 1.00 0.00 O ATOM 355 CB TRP X 131 -2.650 -7.719 8.367 1.00 0.00 C ATOM 356 CG TRP X 131 -3.918 -8.243 9.051 1.00 0.00 C ATOM 357 CD1 TRP X 131 -4.073 -9.410 9.756 1.00 0.00 C ATOM 358 CD2 TRP X 131 -5.213 -7.616 9.064 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.370 -9.556 10.168 1.00 0.00 N ATOM 360 CE2 TRP X 131 -6.093 -8.470 9.765 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.712 -6.422 8.555 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.438 -8.163 9.950 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -7.045 -6.105 8.746 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.898 -6.979 9.436 1.00 0.00 C ATOM 0 H TRP X 131 -1.507 -10.059 7.403 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.489 -8.072 6.392 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.766 -8.006 8.937 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.664 -6.630 8.327 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -3.281 -10.116 9.958 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.738 -10.350 10.693 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -5.064 -5.748 8.015 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -8.096 -8.835 10.480 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.433 -5.174 8.360 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.937 -6.714 9.565 1.00 0.00 H new ATOM 375 N CYS X 132 -1.861 -6.829 5.123 1.00 0.00 N ATOM 376 CA CYS X 132 -0.894 -6.132 4.264 1.00 0.00 C ATOM 377 C CYS X 132 -0.408 -5.078 5.232 1.00 0.00 C ATOM 378 O CYS X 132 -1.138 -4.122 5.456 1.00 0.00 O ATOM 379 CB CYS X 132 -1.611 -5.500 3.067 1.00 0.00 C ATOM 380 SG CYS X 132 -0.599 -4.527 1.936 1.00 0.00 S ATOM 0 H CYS X 132 -2.836 -6.613 4.914 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.109 -6.752 3.831 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.088 -6.297 2.497 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.407 -4.860 3.447 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.251 -3.461 1.577 1.00 0.00 H new ATOM 385 N ASP X 133 0.776 -5.222 5.816 1.00 0.00 N ATOM 386 CA ASP X 133 1.200 -4.225 6.823 1.00 0.00 C ATOM 387 C ASP X 133 1.232 -2.829 6.220 1.00 0.00 C ATOM 388 O ASP X 133 0.951 -1.833 6.879 1.00 0.00 O ATOM 389 CB ASP X 133 2.471 -4.651 7.557 1.00 0.00 C ATOM 390 CG ASP X 133 3.658 -4.714 6.670 1.00 0.00 C ATOM 391 OD1 ASP X 133 4.068 -3.636 6.210 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.269 -5.813 6.624 1.00 0.00 O ATOM 0 H ASP X 133 1.439 -5.975 5.631 1.00 0.00 H new ATOM 0 HA ASP X 133 0.451 -4.179 7.613 1.00 0.00 H new ATOM 0 HB2 ASP X 133 2.667 -3.951 8.369 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.311 -5.629 8.011 1.00 0.00 H new ATOM 397 N LEU X 134 1.512 -2.803 4.933 1.00 0.00 N ATOM 398 CA LEU X 134 1.527 -1.595 4.137 1.00 0.00 C ATOM 399 C LEU X 134 0.149 -0.900 4.152 1.00 0.00 C ATOM 400 O LEU X 134 0.044 0.299 4.397 1.00 0.00 O ATOM 401 CB LEU X 134 1.919 -2.004 2.718 1.00 0.00 C ATOM 402 CG LEU X 134 1.509 -1.085 1.577 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.161 0.271 1.661 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.880 -1.761 0.286 1.00 0.00 C ATOM 0 H LEU X 134 1.741 -3.642 4.400 1.00 0.00 H new ATOM 0 HA LEU X 134 2.239 -0.877 4.543 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.003 -2.112 2.688 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.495 -2.989 2.524 1.00 0.00 H new ATOM 0 HG LEU X 134 0.435 -0.911 1.637 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.833 0.885 0.822 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.878 0.753 2.597 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.244 0.157 1.625 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.597 -1.124 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.956 -1.936 0.263 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.356 -2.714 0.211 1.00 0.00 H new ATOM 416 N CYS X 135 -0.902 -1.662 3.860 1.00 0.00 N ATOM 417 CA CYS X 135 -2.263 -1.111 3.825 1.00 0.00 C ATOM 418 C CYS X 135 -3.018 -1.055 5.149 1.00 0.00 C ATOM 419 O CYS X 135 -3.889 -0.212 5.356 1.00 0.00 O ATOM 420 CB CYS X 135 -3.128 -1.978 2.903 1.00 0.00 C ATOM 421 SG CYS X 135 -2.791 -1.786 1.198 1.00 0.00 S ATOM 0 H CYS X 135 -0.843 -2.657 3.645 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.112 -0.083 3.495 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.987 -3.025 3.172 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.177 -1.741 3.082 1.00 0.00 H new ATOM 0 HG CYS X 135 -3.149 -2.861 0.561 1.00 0.00 H new ATOM 426 N GLY X 136 -2.737 -2.018 6.005 1.00 0.00 N ATOM 427 CA GLY X 136 -3.432 -2.136 7.272 1.00 0.00 C ATOM 428 C GLY X 136 -4.699 -2.936 7.010 1.00 0.00 C ATOM 429 O GLY X 136 -5.436 -3.291 7.918 1.00 0.00 O ATOM 0 H GLY X 136 -2.028 -2.734 5.845 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.806 -2.636 8.011 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.673 -1.152 7.673 1.00 0.00 H new ATOM 433 N ARG X 137 -4.944 -3.219 5.732 1.00 0.00 N ATOM 434 CA ARG X 137 -6.103 -3.986 5.284 1.00 0.00 C ATOM 435 C ARG X 137 -5.779 -5.470 5.131 1.00 0.00 C ATOM 436 O ARG X 137 -4.677 -5.839 4.728 1.00 0.00 O ATOM 437 CB ARG X 137 -6.547 -3.438 3.940 1.00 0.00 C ATOM 438 CG ARG X 137 -6.989 -1.990 4.014 1.00 0.00 C ATOM 439 CD ARG X 137 -7.373 -1.467 2.654 1.00 0.00 C ATOM 440 NE ARG X 137 -6.247 -1.336 1.720 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.375 -0.972 0.456 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.555 -0.716 -0.040 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.325 -0.867 -0.306 1.00 0.00 N ATOM 0 H ARG X 137 -4.336 -2.918 4.970 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.890 -3.891 6.033 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.727 -3.527 3.227 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.368 -4.045 3.558 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.836 -1.900 4.694 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.184 -1.382 4.426 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.117 -2.133 2.218 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.848 -0.493 2.772 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.310 -1.538 2.068 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.384 -0.796 0.549 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -7.648 -0.435 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.399 -1.066 0.072 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.428 -0.586 -1.281 1.00 0.00 H new ATOM 457 N GLU X 138 -6.745 -6.312 5.449 1.00 0.00 N ATOM 458 CA GLU X 138 -6.591 -7.768 5.343 1.00 0.00 C ATOM 459 C GLU X 138 -6.206 -8.297 3.955 1.00 0.00 C ATOM 460 O GLU X 138 -6.760 -7.889 2.930 1.00 0.00 O ATOM 461 CB GLU X 138 -7.869 -8.478 5.813 1.00 0.00 C ATOM 462 CG GLU X 138 -9.125 -8.136 5.007 1.00 0.00 C ATOM 463 CD GLU X 138 -10.353 -8.885 5.494 1.00 0.00 C ATOM 464 OE1 GLU X 138 -10.211 -9.674 6.453 1.00 0.00 O ATOM 465 OE2 GLU X 138 -11.415 -8.691 4.867 1.00 0.00 O ATOM 0 H GLU X 138 -7.660 -6.016 5.788 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.745 -7.996 5.992 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.707 -9.555 5.768 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.045 -8.225 6.859 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.310 -7.064 5.068 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -8.953 -8.371 3.957 1.00 0.00 H new ATOM 472 N VAL X 139 -5.267 -9.229 3.921 1.00 0.00 N ATOM 473 CA VAL X 139 -4.848 -9.851 2.672 1.00 0.00 C ATOM 474 C VAL X 139 -5.514 -11.215 2.549 1.00 0.00 C ATOM 475 O VAL X 139 -4.982 -12.228 2.960 1.00 0.00 O ATOM 476 CB VAL X 139 -3.294 -10.028 2.581 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.658 -8.747 2.250 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.698 -10.432 3.877 1.00 0.00 C ATOM 0 H VAL X 139 -4.778 -9.574 4.747 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.150 -9.192 1.858 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.126 -10.793 1.823 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.578 -8.882 2.189 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.034 -8.391 1.291 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.889 -8.015 3.024 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.620 -10.542 3.763 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -2.908 -9.670 4.627 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.128 -11.382 4.195 1.00 0.00 H new ATOM 488 N LEU X 140 -6.683 -11.240 1.932 1.00 0.00 N ATOM 489 CA LEU X 140 -7.394 -12.504 1.735 1.00 0.00 C ATOM 490 C LEU X 140 -6.832 -13.129 0.468 1.00 0.00 C ATOM 491 O LEU X 140 -7.110 -14.265 0.114 1.00 0.00 O ATOM 492 CB LEU X 140 -8.898 -12.254 1.599 1.00 0.00 C ATOM 493 CG LEU X 140 -9.580 -11.650 2.835 1.00 0.00 C ATOM 494 CD1 LEU X 140 -11.052 -11.551 2.556 1.00 0.00 C ATOM 495 CD2 LEU X 140 -9.361 -12.484 4.076 1.00 0.00 C ATOM 0 H LEU X 140 -7.159 -10.417 1.562 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.257 -13.170 2.587 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.063 -11.588 0.752 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.386 -13.199 1.361 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.144 -10.669 3.024 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.558 -11.124 3.422 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -11.216 -10.912 1.688 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.452 -12.545 2.356 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -9.863 -12.015 4.923 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -9.769 -13.483 3.920 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -8.293 -12.557 4.282 1.00 0.00 H new ATOM 507 N ARG X 141 -6.030 -12.336 -0.226 1.00 0.00 N ATOM 508 CA ARG X 141 -5.399 -12.764 -1.470 1.00 0.00 C ATOM 509 C ARG X 141 -4.006 -13.313 -1.147 1.00 0.00 C ATOM 510 O ARG X 141 -3.634 -13.454 0.008 1.00 0.00 O ATOM 511 CB ARG X 141 -5.262 -11.575 -2.447 1.00 0.00 C ATOM 512 CG ARG X 141 -6.571 -10.972 -3.003 1.00 0.00 C ATOM 513 CD ARG X 141 -7.383 -10.165 -1.975 1.00 0.00 C ATOM 514 NE ARG X 141 -8.539 -9.515 -2.598 1.00 0.00 N ATOM 515 CZ ARG X 141 -8.469 -8.346 -3.215 1.00 0.00 C ATOM 516 NH1 ARG X 141 -7.327 -7.729 -3.284 1.00 0.00 N ATOM 517 NH2 ARG X 141 -9.523 -7.811 -3.764 1.00 0.00 N ATOM 0 H ARG X 141 -5.798 -11.383 0.053 1.00 0.00 H new ATOM 0 HA ARG X 141 -6.015 -13.531 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -4.712 -10.782 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -4.652 -11.898 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -6.330 -10.325 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -7.194 -11.779 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -7.722 -10.826 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -6.744 -9.411 -1.515 1.00 0.00 H new ATOM 0 HE ARG X 141 -9.442 -9.987 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -6.496 -8.146 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -7.262 -6.828 -3.757 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -10.420 -8.294 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -9.450 -6.909 -4.235 1.00 0.00 H new ATOM 531 N GLN X 142 -3.241 -13.587 -2.187 1.00 0.00 N ATOM 532 CA GLN X 142 -1.873 -14.098 -2.080 1.00 0.00 C ATOM 533 C GLN X 142 -0.894 -13.078 -1.477 1.00 0.00 C ATOM 534 O GLN X 142 -0.281 -12.307 -2.211 1.00 0.00 O ATOM 535 CB GLN X 142 -1.380 -14.508 -3.472 1.00 0.00 C ATOM 536 CG GLN X 142 -2.104 -15.727 -4.067 1.00 0.00 C ATOM 537 CD GLN X 142 -3.560 -15.464 -4.391 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.922 -14.408 -4.903 1.00 0.00 O ATOM 539 NE2 GLN X 142 -4.402 -16.420 -4.097 1.00 0.00 N ATOM 0 H GLN X 142 -3.552 -13.461 -3.150 1.00 0.00 H new ATOM 0 HA GLN X 142 -1.901 -14.953 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.499 -13.663 -4.150 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.313 -14.725 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.588 -16.039 -4.975 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.040 -16.557 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -4.065 -17.284 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -5.396 -16.302 -4.292 1.00 0.00 H new ATOM 548 N ALA X 143 -0.768 -13.040 -0.159 1.00 0.00 N ATOM 549 CA ALA X 143 0.157 -12.108 0.487 1.00 0.00 C ATOM 550 C ALA X 143 1.593 -12.374 0.051 1.00 0.00 C ATOM 551 O ALA X 143 2.059 -13.498 0.088 1.00 0.00 O ATOM 552 CB ALA X 143 0.059 -12.195 1.951 1.00 0.00 C ATOM 0 H ALA X 143 -1.288 -13.637 0.484 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.124 -11.102 0.177 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.757 -11.492 2.405 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.956 -11.950 2.263 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.303 -13.207 2.272 1.00 0.00 H new ATOM 558 N LEU X 144 2.276 -11.326 -0.356 1.00 0.00 N ATOM 559 CA LEU X 144 3.660 -11.398 -0.829 1.00 0.00 C ATOM 560 C LEU X 144 4.646 -10.737 0.130 1.00 0.00 C ATOM 561 O LEU X 144 4.523 -9.559 0.426 1.00 0.00 O ATOM 562 CB LEU X 144 3.718 -10.706 -2.184 1.00 0.00 C ATOM 563 CG LEU X 144 3.098 -11.484 -3.355 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.218 -10.659 -4.584 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.764 -12.780 -3.644 1.00 0.00 C ATOM 0 H LEU X 144 1.889 -10.382 -0.372 1.00 0.00 H new ATOM 0 HA LEU X 144 3.952 -12.446 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.212 -9.744 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.761 -10.498 -2.421 1.00 0.00 H new ATOM 0 HG LEU X 144 2.068 -11.693 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.783 -11.196 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.690 -9.716 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.270 -10.458 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.266 -13.266 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.810 -12.604 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.705 -13.423 -2.766 1.00 0.00 H new ATOM 577 N ARG X 145 5.624 -11.492 0.613 1.00 0.00 N ATOM 578 CA ARG X 145 6.620 -10.962 1.559 1.00 0.00 C ATOM 579 C ARG X 145 8.001 -10.720 1.051 1.00 0.00 C ATOM 580 O ARG X 145 8.765 -11.670 0.952 1.00 0.00 O ATOM 581 CB ARG X 145 6.799 -11.903 2.749 1.00 0.00 C ATOM 582 CG ARG X 145 5.666 -11.892 3.661 1.00 0.00 C ATOM 583 CD ARG X 145 5.919 -12.742 4.878 1.00 0.00 C ATOM 584 NE ARG X 145 4.801 -12.624 5.812 1.00 0.00 N ATOM 585 CZ ARG X 145 4.796 -13.131 7.031 1.00 0.00 C ATOM 586 NH1 ARG X 145 5.827 -13.799 7.469 1.00 0.00 N ATOM 587 NH2 ARG X 145 3.756 -12.968 7.803 1.00 0.00 N ATOM 0 H ARG X 145 5.756 -12.474 0.371 1.00 0.00 H new ATOM 0 HA ARG X 145 6.183 -9.993 1.802 1.00 0.00 H new ATOM 0 HB2 ARG X 145 6.952 -12.918 2.382 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.700 -11.622 3.295 1.00 0.00 H new ATOM 0 HG2 ARG X 145 5.458 -10.868 3.970 1.00 0.00 H new ATOM 0 HG3 ARG X 145 4.779 -12.255 3.142 1.00 0.00 H new ATOM 0 HD2 ARG X 145 6.049 -13.783 4.584 1.00 0.00 H new ATOM 0 HD3 ARG X 145 6.844 -12.430 5.364 1.00 0.00 H new ATOM 0 HE ARG X 145 3.972 -12.118 5.502 1.00 0.00 H new ATOM 0 HH11 ARG X 145 6.641 -13.931 6.869 1.00 0.00 H new ATOM 0 HH12 ARG X 145 5.819 -14.189 8.411 1.00 0.00 H new ATOM 0 HH21 ARG X 145 2.946 -12.448 7.465 1.00 0.00 H new ATOM 0 HH22 ARG X 145 3.753 -13.360 8.745 1.00 0.00 H new ATOM 601 N CYS X 146 8.386 -9.500 0.731 1.00 0.00 N ATOM 602 CA CYS X 146 9.762 -9.352 0.303 1.00 0.00 C ATOM 603 C CYS X 146 10.616 -9.298 1.581 1.00 0.00 C ATOM 604 O CYS X 146 10.913 -8.236 2.124 1.00 0.00 O ATOM 605 CB CYS X 146 9.980 -8.185 -0.621 1.00 0.00 C ATOM 606 SG CYS X 146 11.755 -7.956 -0.957 1.00 0.00 S ATOM 0 H CYS X 146 7.816 -8.655 0.754 1.00 0.00 H new ATOM 0 HA CYS X 146 10.061 -10.201 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.446 -8.350 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.569 -7.279 -0.175 1.00 0.00 H new ATOM 0 HG CYS X 146 11.920 -6.928 -1.735 1.00 0.00 H new ATOM 611 N ALA X 147 10.968 -10.481 2.059 1.00 0.00 N ATOM 612 CA ALA X 147 11.758 -10.654 3.275 1.00 0.00 C ATOM 613 C ALA X 147 13.111 -9.964 3.147 1.00 0.00 C ATOM 614 O ALA X 147 13.801 -9.733 4.121 1.00 0.00 O ATOM 615 CB ALA X 147 11.948 -12.138 3.551 1.00 0.00 C ATOM 0 H ALA X 147 10.712 -11.361 1.611 1.00 0.00 H new ATOM 0 HA ALA X 147 11.224 -10.196 4.108 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.538 -12.267 4.459 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.975 -12.612 3.680 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.468 -12.600 2.712 1.00 0.00 H new ATOM 621 N ASN X 148 13.488 -9.671 1.915 1.00 0.00 N ATOM 622 CA ASN X 148 14.743 -9.002 1.629 1.00 0.00 C ATOM 623 C ASN X 148 14.861 -7.573 2.100 1.00 0.00 C ATOM 624 O ASN X 148 15.963 -7.040 2.090 1.00 0.00 O ATOM 625 CB ASN X 148 15.066 -9.078 0.136 1.00 0.00 C ATOM 626 CG ASN X 148 15.440 -10.464 -0.320 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.636 -11.357 0.613 1.00 0.00 O flip ATOM 628 ND2 ASN X 148 15.590 -10.720 -1.496 1.00 0.00 N flip ATOM 0 H ASN X 148 12.934 -9.890 1.087 1.00 0.00 H new ATOM 0 HA ASN X 148 15.473 -9.555 2.221 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.202 -8.736 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN X 148 15.886 -8.395 -0.087 1.00 0.00 H new ATOM 0 HD21 ASN X 148 15.429 -9.999 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.878 -11.656 -1.782 1.00 0.00 H new ATOM 635 N CYS X 149 13.759 -6.956 2.499 1.00 0.00 N ATOM 636 CA CYS X 149 13.825 -5.583 2.944 1.00 0.00 C ATOM 637 C CYS X 149 12.583 -5.096 3.676 1.00 0.00 C ATOM 638 O CYS X 149 12.642 -4.526 4.766 1.00 0.00 O ATOM 639 CB CYS X 149 14.048 -4.722 1.672 1.00 0.00 C ATOM 640 SG CYS X 149 12.795 -4.940 0.382 1.00 0.00 S ATOM 0 H CYS X 149 12.830 -7.377 2.522 1.00 0.00 H new ATOM 0 HA CYS X 149 14.633 -5.498 3.671 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.074 -3.671 1.961 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.026 -4.962 1.254 1.00 0.00 H new ATOM 0 HG CYS X 149 12.642 -6.207 0.136 1.00 0.00 H new ATOM 645 N LYS X 150 11.490 -5.237 2.977 1.00 0.00 N ATOM 646 CA LYS X 150 10.203 -4.683 3.407 1.00 0.00 C ATOM 647 C LYS X 150 9.102 -5.503 4.125 1.00 0.00 C ATOM 648 O LYS X 150 9.281 -5.989 5.235 1.00 0.00 O ATOM 649 CB LYS X 150 9.664 -3.897 2.215 1.00 0.00 C ATOM 650 CG LYS X 150 10.572 -2.694 1.915 1.00 0.00 C ATOM 651 CD LYS X 150 10.133 -1.992 0.663 1.00 0.00 C ATOM 652 CE LYS X 150 10.982 -0.745 0.434 1.00 0.00 C ATOM 653 NZ LYS X 150 12.435 -1.072 0.242 1.00 0.00 N ATOM 0 H LYS X 150 11.450 -5.738 2.089 1.00 0.00 H new ATOM 0 HA LYS X 150 10.473 -4.112 4.296 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.606 -4.544 1.340 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.651 -3.553 2.425 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.550 -1.998 2.754 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.603 -3.030 1.806 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.223 -2.664 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.082 -1.716 0.742 1.00 0.00 H new ATOM 0 HE2 LYS X 150 10.613 -0.213 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.873 -0.072 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.843 -0.433 -0.470 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 12.940 -0.954 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.530 -2.056 -0.081 1.00 0.00 H new ATOM 667 N PHE X 151 7.936 -5.582 3.498 1.00 0.00 N ATOM 668 CA PHE X 151 6.731 -6.192 4.061 1.00 0.00 C ATOM 669 C PHE X 151 5.947 -7.292 3.378 1.00 0.00 C ATOM 670 O PHE X 151 6.244 -7.722 2.257 1.00 0.00 O ATOM 671 CB PHE X 151 5.759 -5.025 4.150 1.00 0.00 C ATOM 672 CG PHE X 151 5.919 -3.992 3.085 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.629 -4.264 1.760 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.323 -2.715 3.433 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.758 -3.281 0.807 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.449 -1.737 2.490 1.00 0.00 C ATOM 677 CZ PHE X 151 6.170 -2.011 1.180 1.00 0.00 C ATOM 0 H PHE X 151 7.795 -5.214 2.557 1.00 0.00 H new ATOM 0 HA PHE X 151 7.109 -6.710 4.942 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.742 -5.414 4.108 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.877 -4.546 5.122 1.00 0.00 H new ATOM 0 HD1 PHE X 151 5.300 -5.252 1.473 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.542 -2.489 4.466 1.00 0.00 H new ATOM 0 HE1 PHE X 151 5.539 -3.498 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.769 -0.747 2.778 1.00 0.00 H new ATOM 0 HZ PHE X 151 6.271 -1.236 0.434 1.00 0.00 H new ATOM 687 N THR X 152 4.893 -7.695 4.096 1.00 0.00 N ATOM 688 CA THR X 152 3.937 -8.670 3.631 1.00 0.00 C ATOM 689 C THR X 152 2.790 -7.847 3.053 1.00 0.00 C ATOM 690 O THR X 152 1.953 -7.330 3.752 1.00 0.00 O ATOM 691 CB THR X 152 3.462 -9.529 4.841 1.00 0.00 C ATOM 692 OG1 THR X 152 2.330 -10.325 4.476 1.00 0.00 O ATOM 693 CG2 THR X 152 3.155 -8.732 6.077 1.00 0.00 C ATOM 0 H THR X 152 4.689 -7.339 5.030 1.00 0.00 H new ATOM 0 HA THR X 152 4.344 -9.356 2.888 1.00 0.00 H new ATOM 0 HB THR X 152 4.305 -10.171 5.096 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.044 -10.860 5.246 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.831 -9.404 6.872 1.00 0.00 H new ATOM 0 HG22 THR X 152 4.049 -8.196 6.396 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.361 -8.017 5.861 1.00 0.00 H new ATOM 701 N CYS X 153 2.780 -7.702 1.755 1.00 0.00 N ATOM 702 CA CYS X 153 1.770 -6.871 1.104 1.00 0.00 C ATOM 703 C CYS X 153 0.778 -7.607 0.203 1.00 0.00 C ATOM 704 O CYS X 153 1.081 -8.686 -0.304 1.00 0.00 O ATOM 705 CB CYS X 153 2.508 -5.880 0.210 1.00 0.00 C ATOM 706 SG CYS X 153 3.526 -6.643 -1.059 1.00 0.00 S ATOM 0 H CYS X 153 3.449 -8.139 1.121 1.00 0.00 H new ATOM 0 HA CYS X 153 1.187 -6.428 1.912 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.778 -5.228 -0.270 1.00 0.00 H new ATOM 0 HB3 CYS X 153 3.139 -5.247 0.833 1.00 0.00 H new ATOM 0 HG CYS X 153 3.896 -7.826 -0.666 1.00 0.00 H new ATOM 712 N HIS X 154 -0.385 -7.017 -0.053 1.00 0.00 N ATOM 713 CA HIS X 154 -1.324 -7.652 -1.013 1.00 0.00 C ATOM 714 C HIS X 154 -0.558 -7.755 -2.339 1.00 0.00 C ATOM 715 O HIS X 154 0.206 -6.848 -2.687 1.00 0.00 O ATOM 716 CB HIS X 154 -2.589 -6.837 -1.402 1.00 0.00 C ATOM 717 CG HIS X 154 -3.507 -6.478 -0.280 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.311 -5.376 0.546 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.670 -7.086 0.126 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.353 -5.384 1.426 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.167 -6.397 1.185 1.00 0.00 N ATOM 0 H HIS X 154 -0.704 -6.141 0.361 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.653 -8.570 -0.527 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.268 -5.917 -1.891 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.154 -7.409 -2.138 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.547 -4.702 0.503 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.114 -7.963 -0.321 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.494 -4.659 2.214 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.017 -6.621 1.702 1.00 0.00 H new ATOM 729 N SER X 155 -0.769 -8.829 -3.089 1.00 0.00 N ATOM 730 CA SER X 155 -0.104 -8.978 -4.387 1.00 0.00 C ATOM 731 C SER X 155 -0.466 -7.730 -5.199 1.00 0.00 C ATOM 732 O SER X 155 0.369 -7.098 -5.815 1.00 0.00 O ATOM 733 CB SER X 155 -0.563 -10.254 -5.098 1.00 0.00 C ATOM 734 OG SER X 155 0.022 -10.361 -6.385 1.00 0.00 O ATOM 0 H SER X 155 -1.384 -9.601 -2.831 1.00 0.00 H new ATOM 0 HA SER X 155 0.976 -9.068 -4.268 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.294 -11.124 -4.499 1.00 0.00 H new ATOM 0 HB3 SER X 155 -1.649 -10.253 -5.188 1.00 0.00 H new ATOM 0 HG SER X 155 -0.286 -11.185 -6.817 1.00 0.00 H new ATOM 740 N GLU X 156 -1.735 -7.367 -5.142 1.00 0.00 N ATOM 741 CA GLU X 156 -2.255 -6.182 -5.822 1.00 0.00 C ATOM 742 C GLU X 156 -1.423 -4.932 -5.463 1.00 0.00 C ATOM 743 O GLU X 156 -1.042 -4.145 -6.330 1.00 0.00 O ATOM 744 CB GLU X 156 -3.714 -6.007 -5.375 1.00 0.00 C ATOM 745 CG GLU X 156 -4.431 -4.765 -5.889 1.00 0.00 C ATOM 746 CD GLU X 156 -5.881 -4.705 -5.391 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.289 -5.653 -4.674 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.584 -3.743 -5.748 1.00 0.00 O ATOM 0 H GLU X 156 -2.442 -7.885 -4.621 1.00 0.00 H new ATOM 0 HA GLU X 156 -2.195 -6.306 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.277 -6.884 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.739 -5.991 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.896 -3.873 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.419 -4.762 -6.979 1.00 0.00 H new ATOM 755 N CYS X 157 -1.142 -4.774 -4.176 1.00 0.00 N ATOM 756 CA CYS X 157 -0.381 -3.653 -3.656 1.00 0.00 C ATOM 757 C CYS X 157 1.092 -3.570 -4.076 1.00 0.00 C ATOM 758 O CYS X 157 1.636 -2.468 -4.132 1.00 0.00 O ATOM 759 CB CYS X 157 -0.487 -3.653 -2.125 1.00 0.00 C ATOM 760 SG CYS X 157 -2.154 -3.354 -1.592 1.00 0.00 S ATOM 0 H CYS X 157 -1.442 -5.432 -3.457 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.833 -2.769 -4.106 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.145 -4.612 -1.735 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.171 -2.888 -1.713 1.00 0.00 H new ATOM 0 HG CYS X 157 -2.165 -2.387 -0.723 1.00 0.00 H new ATOM 765 N ARG X 158 1.764 -4.686 -4.366 1.00 0.00 N ATOM 766 CA ARG X 158 3.195 -4.551 -4.745 1.00 0.00 C ATOM 767 C ARG X 158 3.381 -3.688 -5.986 1.00 0.00 C ATOM 768 O ARG X 158 4.468 -3.203 -6.238 1.00 0.00 O ATOM 769 CB ARG X 158 3.992 -5.845 -4.944 1.00 0.00 C ATOM 770 CG ARG X 158 3.576 -6.737 -6.078 1.00 0.00 C ATOM 771 CD ARG X 158 4.555 -7.872 -6.224 1.00 0.00 C ATOM 772 NE ARG X 158 4.150 -8.790 -7.288 1.00 0.00 N ATOM 773 CZ ARG X 158 4.838 -9.862 -7.636 1.00 0.00 C ATOM 774 NH1 ARG X 158 5.954 -10.151 -7.028 1.00 0.00 N ATOM 775 NH2 ARG X 158 4.406 -10.639 -8.590 1.00 0.00 N ATOM 0 H ARG X 158 1.387 -5.634 -4.353 1.00 0.00 H new ATOM 0 HA ARG X 158 3.608 -4.076 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG X 158 5.039 -5.578 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.936 -6.422 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG X 158 2.576 -7.129 -5.895 1.00 0.00 H new ATOM 0 HG3 ARG X 158 3.529 -6.164 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG X 158 5.546 -7.474 -6.442 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.629 -8.414 -5.282 1.00 0.00 H new ATOM 0 HE ARG X 158 3.285 -8.590 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG X 158 6.299 -9.548 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG X 158 6.483 -10.980 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG X 158 3.533 -10.420 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG X 158 4.941 -11.466 -8.856 1.00 0.00 H new ATOM 789 N SER X 159 2.329 -3.520 -6.771 1.00 0.00 N ATOM 790 CA SER X 159 2.408 -2.712 -7.985 1.00 0.00 C ATOM 791 C SER X 159 2.949 -1.298 -7.722 1.00 0.00 C ATOM 792 O SER X 159 3.741 -0.788 -8.503 1.00 0.00 O ATOM 793 CB SER X 159 1.022 -2.618 -8.628 1.00 0.00 C ATOM 794 OG SER X 159 0.085 -2.035 -7.736 1.00 0.00 O ATOM 0 H SER X 159 1.412 -3.929 -6.593 1.00 0.00 H new ATOM 0 HA SER X 159 3.109 -3.206 -8.657 1.00 0.00 H new ATOM 0 HB2 SER X 159 1.080 -2.023 -9.540 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.683 -3.613 -8.917 1.00 0.00 H new ATOM 0 HG SER X 159 -0.348 -2.739 -7.210 1.00 0.00 H new ATOM 800 N LEU X 160 2.526 -0.666 -6.631 1.00 0.00 N ATOM 801 CA LEU X 160 3.002 0.687 -6.294 1.00 0.00 C ATOM 802 C LEU X 160 4.465 0.776 -5.808 1.00 0.00 C ATOM 803 O LEU X 160 4.973 1.869 -5.542 1.00 0.00 O ATOM 804 CB LEU X 160 2.031 1.402 -5.327 1.00 0.00 C ATOM 805 CG LEU X 160 1.695 0.841 -3.935 1.00 0.00 C ATOM 806 CD1 LEU X 160 2.901 0.604 -3.063 1.00 0.00 C ATOM 807 CD2 LEU X 160 0.790 1.831 -3.240 1.00 0.00 C ATOM 0 H LEU X 160 1.860 -1.058 -5.965 1.00 0.00 H new ATOM 0 HA LEU X 160 3.007 1.219 -7.245 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.426 2.406 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.085 1.510 -5.857 1.00 0.00 H new ATOM 0 HG LEU X 160 1.223 -0.130 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU X 160 2.581 0.208 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU X 160 3.565 -0.112 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU X 160 3.431 1.544 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU X 160 0.535 1.457 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU X 160 1.302 2.789 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -0.121 1.962 -3.823 1.00 0.00 H new ATOM 819 N ILE X 161 5.132 -0.360 -5.659 1.00 0.00 N ATOM 820 CA ILE X 161 6.515 -0.374 -5.178 1.00 0.00 C ATOM 821 C ILE X 161 7.496 0.028 -6.279 1.00 0.00 C ATOM 822 O ILE X 161 7.868 -0.756 -7.141 1.00 0.00 O ATOM 823 CB ILE X 161 6.892 -1.764 -4.609 1.00 0.00 C ATOM 824 CG1 ILE X 161 5.922 -2.166 -3.480 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.307 -1.750 -4.066 1.00 0.00 C ATOM 826 CD1 ILE X 161 5.967 -1.286 -2.246 1.00 0.00 C ATOM 0 H ILE X 161 4.744 -1.281 -5.862 1.00 0.00 H new ATOM 0 HA ILE X 161 6.585 0.361 -4.376 1.00 0.00 H new ATOM 0 HB ILE X 161 6.824 -2.489 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE X 161 4.906 -2.158 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE X 161 6.140 -3.192 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.555 -2.735 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE X 161 9.001 -1.495 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.384 -1.009 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE X 161 5.249 -1.652 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE X 161 6.969 -1.311 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE X 161 5.716 -0.261 -2.520 1.00 0.00 H new ATOM 838 N GLN X 162 7.914 1.278 -6.203 1.00 0.00 N ATOM 839 CA GLN X 162 8.843 1.887 -7.155 1.00 0.00 C ATOM 840 C GLN X 162 10.321 1.939 -6.713 1.00 0.00 C ATOM 841 O GLN X 162 11.101 2.714 -7.253 1.00 0.00 O ATOM 842 CB GLN X 162 8.325 3.287 -7.505 1.00 0.00 C ATOM 843 CG GLN X 162 8.182 4.213 -6.302 1.00 0.00 C ATOM 844 CD GLN X 162 7.678 5.583 -6.695 1.00 0.00 C ATOM 845 OE1 GLN X 162 8.316 6.302 -7.444 1.00 0.00 O ATOM 846 NE2 GLN X 162 6.517 5.939 -6.207 1.00 0.00 N ATOM 0 H GLN X 162 7.615 1.916 -5.466 1.00 0.00 H new ATOM 0 HA GLN X 162 8.862 1.234 -8.028 1.00 0.00 H new ATOM 0 HB2 GLN X 162 9.003 3.745 -8.225 1.00 0.00 H new ATOM 0 HB3 GLN X 162 7.356 3.193 -7.996 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.496 3.768 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN X 162 9.147 4.311 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN X 162 6.012 5.310 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN X 162 6.117 6.845 -6.451 1.00 0.00 H new ATOM 855 N LEU X 163 10.708 1.134 -5.731 1.00 0.00 N ATOM 856 CA LEU X 163 12.105 1.132 -5.264 1.00 0.00 C ATOM 857 C LEU X 163 12.585 -0.267 -4.882 1.00 0.00 C ATOM 858 O LEU X 163 11.803 -1.090 -4.432 1.00 0.00 O ATOM 859 CB LEU X 163 12.312 2.082 -4.065 1.00 0.00 C ATOM 860 CG LEU X 163 11.643 1.803 -2.703 1.00 0.00 C ATOM 861 CD1 LEU X 163 12.018 2.930 -1.771 1.00 0.00 C ATOM 862 CD2 LEU X 163 10.130 1.729 -2.747 1.00 0.00 C ATOM 0 H LEU X 163 10.093 0.482 -5.244 1.00 0.00 H new ATOM 0 HA LEU X 163 12.699 1.487 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU X 163 13.386 2.141 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU X 163 11.987 3.072 -4.383 1.00 0.00 H new ATOM 0 HG LEU X 163 11.995 0.825 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU X 163 11.560 2.763 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU X 163 13.102 2.966 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.663 3.875 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU X 163 9.746 1.530 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU X 163 9.730 2.677 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.824 0.927 -3.419 1.00 0.00 H new ATOM 874 N ASP X 164 13.880 -0.487 -5.085 1.00 0.00 N ATOM 875 CA ASP X 164 14.614 -1.753 -4.825 1.00 0.00 C ATOM 876 C ASP X 164 14.526 -2.244 -3.366 1.00 0.00 C ATOM 877 O ASP X 164 13.898 -1.593 -2.515 1.00 0.00 O ATOM 878 CB ASP X 164 16.117 -1.513 -5.073 1.00 0.00 C ATOM 879 CG ASP X 164 16.422 -0.924 -6.441 1.00 0.00 C ATOM 880 OD1 ASP X 164 15.524 -0.930 -7.296 1.00 0.00 O ATOM 881 OD2 ASP X 164 17.368 -0.099 -6.417 1.00 0.00 O ATOM 0 H ASP X 164 14.491 0.241 -5.454 1.00 0.00 H new ATOM 0 HA ASP X 164 14.158 -2.494 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP X 164 16.501 -0.842 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP X 164 16.650 -2.458 -4.967 1.00 0.00 H new ATOM 886 N CYS X 165 15.175 -3.374 -3.060 1.00 0.00 N ATOM 887 CA CYS X 165 15.207 -3.873 -1.688 1.00 0.00 C ATOM 888 C CYS X 165 16.159 -2.945 -0.891 1.00 0.00 C ATOM 889 O CYS X 165 17.366 -3.167 -0.825 1.00 0.00 O ATOM 890 CB CYS X 165 15.743 -5.320 -1.649 1.00 0.00 C ATOM 891 SG CYS X 165 14.826 -6.562 -2.547 1.00 0.00 S ATOM 0 H CYS X 165 15.677 -3.950 -3.736 1.00 0.00 H new ATOM 0 HA CYS X 165 14.204 -3.876 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.763 -5.312 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.798 -5.631 -0.606 1.00 0.00 H new ATOM 0 HG CYS X 165 13.617 -6.136 -2.764 1.00 0.00 H new ATOM 896 N ARG X 166 15.577 -1.906 -0.318 1.00 0.00 N ATOM 897 CA ARG X 166 16.297 -0.869 0.422 1.00 0.00 C ATOM 898 C ARG X 166 15.850 -0.837 1.869 1.00 0.00 C ATOM 899 O ARG X 166 16.573 -0.200 2.649 1.00 0.00 O ATOM 900 CB ARG X 166 15.990 0.480 -0.240 1.00 0.00 C ATOM 901 CG ARG X 166 16.490 0.525 -1.686 1.00 0.00 C ATOM 902 CD ARG X 166 16.197 1.837 -2.390 1.00 0.00 C ATOM 903 NE ARG X 166 16.633 1.768 -3.787 1.00 0.00 N ATOM 904 CZ ARG X 166 16.576 2.770 -4.641 1.00 0.00 C ATOM 905 NH1 ARG X 166 16.116 3.932 -4.266 1.00 0.00 N ATOM 906 NH2 ARG X 166 16.974 2.599 -5.867 1.00 0.00 N ATOM 907 OXT ARG X 166 14.613 -1.021 1.988 1.00 0.00 O ATOM 0 H ARG X 166 14.569 -1.751 -0.351 1.00 0.00 H new ATOM 0 HA ARG X 166 17.367 -1.077 0.403 1.00 0.00 H new ATOM 0 HB2 ARG X 166 14.915 0.659 -0.220 1.00 0.00 H new ATOM 0 HB3 ARG X 166 16.457 1.281 0.332 1.00 0.00 H new ATOM 0 HG2 ARG X 166 17.566 0.350 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG X 166 16.030 -0.289 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG X 166 15.129 2.052 -2.344 1.00 0.00 H new ATOM 0 HD3 ARG X 166 16.709 2.654 -1.881 1.00 0.00 H new ATOM 0 HE ARG X 166 17.008 0.881 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG X 166 15.798 4.069 -3.307 1.00 0.00 H new ATOM 0 HH12 ARG X 166 16.075 4.703 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG X 166 17.329 1.691 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG X 166 16.931 3.373 -6.530 1.00 0.00 H new