USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 345 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 132 CYS SG : rot -142:sc= -0.071! USER MOD Set 1.2: X 135 CYS SG : rot 180:sc= 2.08 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -4.28! C(o=-2.1!,f=-15!) USER MOD Set 1.4: X 157 CYS SG : rot -134:sc= 0.185 USER MOD Set 2.1: X 118 HIS : no HD1:sc= 1.25 K(o=0.045,f=-19!) USER MOD Set 2.2: X 146 CYS SG : rot -175:sc= -1.22! USER MOD Set 2.3: X 148 ASN : amide:sc= 0.938 K(o=0.045,f=-7.3!) USER MOD Set 2.4: X 149 CYS SG : rot -49:sc= -1.63! USER MOD Set 2.5: X 165 CYS SG : rot -11:sc= 0.711 USER MOD Set 3.1: X 142 GLN : amide:sc= -0.989 K(o=-1,f=-1.7) USER MOD Set 3.2: X 155 SER OG : rot 180:sc= -0.033 USER MOD Single : X 150 LYS NZ :NH3+ -167:sc= 0.827 (180deg=0.707) USER MOD Single : X 152 THR OG1 : rot -120:sc= -0.0318 USER MOD Single : X 153 CYS SG : rot 24:sc= 0.0803 USER MOD Single : X 159 SER OG : rot -81:sc= 1.14 USER MOD Single : X 162 GLN : amide:sc=-0.00322 X(o=-0.0032,f=0) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 13.145 -7.563 -5.054 1.00 0.00 N ATOM 153 CA HIS X 118 12.189 -8.099 -4.081 1.00 0.00 C ATOM 154 C HIS X 118 11.776 -9.540 -4.345 1.00 0.00 C ATOM 155 O HIS X 118 11.059 -9.826 -5.303 1.00 0.00 O ATOM 156 CB HIS X 118 10.885 -7.318 -4.028 1.00 0.00 C ATOM 157 CG HIS X 118 11.000 -5.909 -3.553 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.652 -5.532 -2.380 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.450 -4.778 -4.086 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.481 -4.190 -2.281 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.766 -3.733 -3.291 1.00 0.00 N ATOM 0 HA HIS X 118 12.744 -8.020 -3.146 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.444 -7.312 -5.025 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.191 -7.848 -3.376 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.862 -4.728 -4.990 1.00 0.00 H new ATOM 0 HE1 HIS X 118 11.877 -3.579 -1.483 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.499 -2.761 -3.445 1.00 0.00 H new ATOM 169 N ARG X 119 12.204 -10.449 -3.480 1.00 0.00 N ATOM 170 CA ARG X 119 11.830 -11.852 -3.632 1.00 0.00 C ATOM 171 C ARG X 119 10.328 -12.038 -3.486 1.00 0.00 C ATOM 172 O ARG X 119 9.748 -12.862 -4.181 1.00 0.00 O ATOM 173 CB ARG X 119 12.619 -12.769 -2.686 1.00 0.00 C ATOM 174 CG ARG X 119 12.423 -12.484 -1.199 1.00 0.00 C ATOM 175 CD ARG X 119 13.174 -13.493 -0.329 1.00 0.00 C ATOM 176 NE ARG X 119 14.623 -13.416 -0.495 1.00 0.00 N ATOM 177 CZ ARG X 119 15.353 -14.290 -1.163 1.00 0.00 C ATOM 178 NH1 ARG X 119 14.795 -15.322 -1.724 1.00 0.00 N ATOM 179 NH2 ARG X 119 16.641 -14.122 -1.262 1.00 0.00 N ATOM 0 H ARG X 119 12.801 -10.248 -2.678 1.00 0.00 H new ATOM 0 HA ARG X 119 12.100 -12.152 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.333 -13.802 -2.883 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.680 -12.682 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.771 -11.476 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.360 -12.515 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG X 119 12.923 -13.321 0.718 1.00 0.00 H new ATOM 0 HD3 ARG X 119 12.838 -14.500 -0.576 1.00 0.00 H new ATOM 0 HE ARG X 119 15.107 -12.629 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG X 119 13.787 -15.460 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.365 -15.993 -2.239 1.00 0.00 H new ATOM 0 HH21 ARG X 119 17.085 -13.315 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG X 119 17.205 -14.797 -1.778 1.00 0.00 H new ATOM 193 N PHE X 120 9.704 -11.281 -2.584 1.00 0.00 N ATOM 194 CA PHE X 120 8.253 -11.376 -2.376 1.00 0.00 C ATOM 195 C PHE X 120 7.800 -12.813 -2.077 1.00 0.00 C ATOM 196 O PHE X 120 7.051 -13.411 -2.843 1.00 0.00 O ATOM 197 CB PHE X 120 7.444 -10.799 -3.536 1.00 0.00 C ATOM 198 CG PHE X 120 7.447 -9.301 -3.630 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.923 -8.537 -2.597 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.886 -8.658 -4.772 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.865 -7.164 -2.694 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.812 -7.277 -4.875 1.00 0.00 C ATOM 203 CZ PHE X 120 7.308 -6.533 -3.831 1.00 0.00 C ATOM 0 H PHE X 120 10.173 -10.599 -1.988 1.00 0.00 H new ATOM 0 HA PHE X 120 8.050 -10.763 -1.498 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.833 -11.207 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.413 -11.140 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.556 -9.025 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.290 -9.235 -5.590 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.470 -6.582 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.150 -6.784 -5.775 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.261 -5.457 -3.906 1.00 0.00 H new ATOM 213 N VAL X 121 8.292 -13.385 -0.997 1.00 0.00 N ATOM 214 CA VAL X 121 7.901 -14.765 -0.622 1.00 0.00 C ATOM 215 C VAL X 121 6.421 -14.823 -0.226 1.00 0.00 C ATOM 216 O VAL X 121 6.003 -14.335 0.812 1.00 0.00 O ATOM 217 CB VAL X 121 8.701 -15.330 0.544 1.00 0.00 C ATOM 218 CG1 VAL X 121 8.317 -16.782 0.807 1.00 0.00 C ATOM 219 CG2 VAL X 121 10.178 -15.223 0.279 1.00 0.00 C ATOM 0 H VAL X 121 8.954 -12.940 -0.361 1.00 0.00 H new ATOM 0 HA VAL X 121 8.104 -15.365 -1.509 1.00 0.00 H new ATOM 0 HB VAL X 121 8.465 -14.742 1.431 1.00 0.00 H new ATOM 0 HG11 VAL X 121 8.900 -17.167 1.644 1.00 0.00 H new ATOM 0 HG12 VAL X 121 7.255 -16.840 1.047 1.00 0.00 H new ATOM 0 HG13 VAL X 121 8.521 -17.379 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.730 -15.633 1.125 1.00 0.00 H new ATOM 0 HG22 VAL X 121 10.427 -15.783 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL X 121 10.448 -14.176 0.142 1.00 0.00 H new ATOM 229 N GLU X 122 5.647 -15.419 -1.105 1.00 0.00 N ATOM 230 CA GLU X 122 4.191 -15.588 -0.958 1.00 0.00 C ATOM 231 C GLU X 122 3.794 -16.403 0.276 1.00 0.00 C ATOM 232 O GLU X 122 4.094 -17.593 0.352 1.00 0.00 O ATOM 233 CB GLU X 122 3.684 -16.290 -2.214 1.00 0.00 C ATOM 234 CG GLU X 122 2.186 -16.494 -2.308 1.00 0.00 C ATOM 235 CD GLU X 122 1.824 -17.174 -3.621 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.348 -18.292 -3.819 1.00 0.00 O ATOM 237 OE2 GLU X 122 1.439 -16.420 -4.543 1.00 0.00 O ATOM 0 H GLU X 122 6.009 -15.816 -1.972 1.00 0.00 H new ATOM 0 HA GLU X 122 3.745 -14.602 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU X 122 4.006 -15.715 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.167 -17.265 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU X 122 1.842 -17.100 -1.470 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.677 -15.533 -2.236 1.00 0.00 H new ATOM 244 N LEU X 123 3.131 -15.786 1.247 1.00 0.00 N ATOM 245 CA LEU X 123 2.714 -16.538 2.428 1.00 0.00 C ATOM 246 C LEU X 123 1.471 -17.364 2.094 1.00 0.00 C ATOM 247 O LEU X 123 0.424 -16.822 1.745 1.00 0.00 O ATOM 248 CB LEU X 123 2.493 -15.635 3.657 1.00 0.00 C ATOM 249 CG LEU X 123 1.393 -14.564 3.671 1.00 0.00 C ATOM 250 CD1 LEU X 123 0.152 -15.037 4.416 1.00 0.00 C ATOM 251 CD2 LEU X 123 1.934 -13.353 4.365 1.00 0.00 C ATOM 0 H LEU X 123 2.876 -14.798 1.245 1.00 0.00 H new ATOM 0 HA LEU X 123 3.523 -17.214 2.705 1.00 0.00 H new ATOM 0 HB2 LEU X 123 2.307 -16.293 4.506 1.00 0.00 H new ATOM 0 HB3 LEU X 123 3.436 -15.124 3.850 1.00 0.00 H new ATOM 0 HG LEU X 123 1.106 -14.347 2.642 1.00 0.00 H new ATOM 0 HD11 LEU X 123 -0.602 -14.250 4.403 1.00 0.00 H new ATOM 0 HD12 LEU X 123 -0.245 -15.929 3.931 1.00 0.00 H new ATOM 0 HD13 LEU X 123 0.414 -15.271 5.448 1.00 0.00 H new ATOM 0 HD21 LEU X 123 1.170 -12.576 4.388 1.00 0.00 H new ATOM 0 HD22 LEU X 123 2.217 -13.614 5.385 1.00 0.00 H new ATOM 0 HD23 LEU X 123 2.809 -12.986 3.828 1.00 0.00 H new ATOM 330 N PRO X 129 -6.644 -15.029 8.485 1.00 0.00 N ATOM 331 CA PRO X 129 -6.086 -13.937 7.681 1.00 0.00 C ATOM 332 C PRO X 129 -4.575 -13.736 7.736 1.00 0.00 C ATOM 333 O PRO X 129 -3.814 -14.539 8.267 1.00 0.00 O ATOM 334 CB PRO X 129 -6.715 -12.698 8.340 1.00 0.00 C ATOM 335 CG PRO X 129 -7.985 -13.173 8.855 1.00 0.00 C ATOM 336 CD PRO X 129 -7.614 -14.498 9.461 1.00 0.00 C ATOM 0 HA PRO X 129 -6.295 -14.137 6.630 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.083 -12.308 9.138 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -6.854 -11.892 7.620 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -8.404 -12.491 9.595 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.728 -13.282 8.065 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.173 -14.383 10.451 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.479 -15.151 9.571 1.00 0.00 H new ATOM 344 N GLY X 130 -4.175 -12.598 7.202 1.00 0.00 N ATOM 345 CA GLY X 130 -2.791 -12.179 7.170 1.00 0.00 C ATOM 346 C GLY X 130 -3.019 -10.718 6.898 1.00 0.00 C ATOM 347 O GLY X 130 -4.151 -10.389 6.567 1.00 0.00 O ATOM 0 H GLY X 130 -4.814 -11.930 6.772 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.270 -12.360 8.110 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.216 -12.672 6.387 1.00 0.00 H new ATOM 351 N TRP X 131 -2.035 -9.848 7.037 1.00 0.00 N ATOM 352 CA TRP X 131 -2.247 -8.415 6.811 1.00 0.00 C ATOM 353 C TRP X 131 -1.239 -7.777 5.845 1.00 0.00 C ATOM 354 O TRP X 131 -0.057 -8.077 5.920 1.00 0.00 O ATOM 355 CB TRP X 131 -2.170 -7.754 8.193 1.00 0.00 C ATOM 356 CG TRP X 131 -3.325 -8.232 9.059 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.399 -9.387 9.786 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.573 -7.555 9.285 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.612 -9.487 10.410 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.354 -8.377 10.128 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.106 -6.342 8.861 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.637 -8.020 10.533 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.375 -5.977 9.270 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.134 -6.819 10.097 1.00 0.00 C ATOM 0 H TRP X 131 -1.083 -10.099 7.304 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.213 -8.267 6.328 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.221 -7.998 8.670 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.206 -6.669 8.090 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.609 -10.120 9.858 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -4.914 -10.267 10.993 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.533 -5.691 8.218 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.222 -8.668 11.170 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -6.787 -5.032 8.949 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.127 -6.516 10.395 1.00 0.00 H new ATOM 375 N CYS X 132 -1.707 -6.920 4.941 1.00 0.00 N ATOM 376 CA CYS X 132 -0.830 -6.227 3.997 1.00 0.00 C ATOM 377 C CYS X 132 -0.210 -5.136 4.859 1.00 0.00 C ATOM 378 O CYS X 132 -0.899 -4.167 5.162 1.00 0.00 O ATOM 379 CB CYS X 132 -1.661 -5.641 2.849 1.00 0.00 C ATOM 380 SG CYS X 132 -0.748 -4.709 1.604 1.00 0.00 S ATOM 0 H CYS X 132 -2.695 -6.687 4.841 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.082 -6.864 3.525 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.183 -6.458 2.351 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.423 -4.989 3.275 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.456 -3.688 1.220 1.00 0.00 H new ATOM 385 N ASP X 133 1.061 -5.269 5.228 1.00 0.00 N ATOM 386 CA ASP X 133 1.725 -4.286 6.120 1.00 0.00 C ATOM 387 C ASP X 133 1.495 -2.886 5.587 1.00 0.00 C ATOM 388 O ASP X 133 1.199 -1.946 6.316 1.00 0.00 O ATOM 389 CB ASP X 133 3.230 -4.534 6.157 1.00 0.00 C ATOM 390 CG ASP X 133 3.597 -5.923 6.670 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.784 -6.516 7.401 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.746 -6.347 6.386 1.00 0.00 O ATOM 0 H ASP X 133 1.661 -6.039 4.932 1.00 0.00 H new ATOM 0 HA ASP X 133 1.307 -4.393 7.121 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.638 -4.404 5.155 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.700 -3.783 6.792 1.00 0.00 H new ATOM 397 N LEU X 134 1.628 -2.792 4.281 1.00 0.00 N ATOM 398 CA LEU X 134 1.421 -1.574 3.535 1.00 0.00 C ATOM 399 C LEU X 134 0.009 -0.973 3.704 1.00 0.00 C ATOM 400 O LEU X 134 -0.135 0.213 3.989 1.00 0.00 O ATOM 401 CB LEU X 134 1.687 -1.930 2.075 1.00 0.00 C ATOM 402 CG LEU X 134 1.098 -1.051 0.982 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.599 0.368 1.027 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.484 -1.687 -0.315 1.00 0.00 C ATOM 0 H LEU X 134 1.891 -3.584 3.695 1.00 0.00 H new ATOM 0 HA LEU X 134 2.093 -0.800 3.907 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.768 -1.952 1.933 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.324 -2.945 1.912 1.00 0.00 H new ATOM 0 HG LEU X 134 0.018 -0.984 1.113 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.141 0.941 0.221 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.337 0.816 1.986 1.00 0.00 H new ATOM 0 HD13 LEU X 134 2.682 0.375 0.907 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.087 -1.098 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.571 -1.731 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.076 -2.697 -0.361 1.00 0.00 H new ATOM 416 N CYS X 135 -1.024 -1.783 3.498 1.00 0.00 N ATOM 417 CA CYS X 135 -2.405 -1.298 3.605 1.00 0.00 C ATOM 418 C CYS X 135 -2.967 -1.210 5.026 1.00 0.00 C ATOM 419 O CYS X 135 -3.860 -0.414 5.322 1.00 0.00 O ATOM 420 CB CYS X 135 -3.332 -2.222 2.797 1.00 0.00 C ATOM 421 SG CYS X 135 -3.072 -2.152 1.050 1.00 0.00 S ATOM 0 H CYS X 135 -0.938 -2.771 3.258 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.371 -0.279 3.220 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.189 -3.249 3.134 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.368 -1.958 3.011 1.00 0.00 H new ATOM 0 HG CYS X 135 -3.895 -2.964 0.456 1.00 0.00 H new ATOM 426 N GLY X 136 -2.488 -2.088 5.888 1.00 0.00 N ATOM 427 CA GLY X 136 -2.984 -2.153 7.248 1.00 0.00 C ATOM 428 C GLY X 136 -4.280 -2.950 7.234 1.00 0.00 C ATOM 429 O GLY X 136 -4.963 -3.081 8.248 1.00 0.00 O ATOM 0 H GLY X 136 -1.757 -2.765 5.670 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.251 -2.628 7.900 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.156 -1.151 7.640 1.00 0.00 H new ATOM 433 N ARG X 137 -4.637 -3.456 6.054 1.00 0.00 N ATOM 434 CA ARG X 137 -5.859 -4.241 5.838 1.00 0.00 C ATOM 435 C ARG X 137 -5.525 -5.707 5.621 1.00 0.00 C ATOM 436 O ARG X 137 -4.447 -6.032 5.152 1.00 0.00 O ATOM 437 CB ARG X 137 -6.575 -3.737 4.579 1.00 0.00 C ATOM 438 CG ARG X 137 -6.854 -2.229 4.541 1.00 0.00 C ATOM 439 CD ARG X 137 -7.848 -1.780 5.593 1.00 0.00 C ATOM 440 NE ARG X 137 -7.290 -1.792 6.944 1.00 0.00 N ATOM 441 CZ ARG X 137 -7.942 -1.423 8.028 1.00 0.00 C ATOM 442 NH1 ARG X 137 -9.172 -0.996 7.947 1.00 0.00 N ATOM 443 NH2 ARG X 137 -7.350 -1.485 9.188 1.00 0.00 N ATOM 0 H ARG X 137 -4.081 -3.332 5.208 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.491 -4.131 6.720 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.973 -4.000 3.709 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.522 -4.267 4.483 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.918 -1.689 4.681 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -7.232 -1.961 3.555 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.191 -0.773 5.356 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.722 -2.430 5.561 1.00 0.00 H new ATOM 0 HE ARG X 137 -6.327 -2.109 7.056 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -9.636 -0.946 7.040 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -9.670 -0.712 8.791 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -6.388 -1.818 9.252 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -7.849 -1.201 10.031 1.00 0.00 H new ATOM 457 N GLU X 138 -6.451 -6.583 5.967 1.00 0.00 N ATOM 458 CA GLU X 138 -6.258 -8.022 5.797 1.00 0.00 C ATOM 459 C GLU X 138 -6.040 -8.428 4.331 1.00 0.00 C ATOM 460 O GLU X 138 -6.497 -7.750 3.411 1.00 0.00 O ATOM 461 CB GLU X 138 -7.415 -8.791 6.457 1.00 0.00 C ATOM 462 CG GLU X 138 -8.827 -8.477 5.928 1.00 0.00 C ATOM 463 CD GLU X 138 -9.036 -8.861 4.474 1.00 0.00 C ATOM 464 OE1 GLU X 138 -8.702 -10.014 4.133 1.00 0.00 O ATOM 465 OE2 GLU X 138 -9.597 -8.026 3.735 1.00 0.00 O ATOM 0 H GLU X 138 -7.352 -6.326 6.371 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.334 -8.296 6.306 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.232 -9.858 6.333 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.396 -8.586 7.527 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.560 -9.001 6.541 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -9.019 -7.410 6.044 1.00 0.00 H new ATOM 472 N VAL X 139 -5.317 -9.519 4.116 1.00 0.00 N ATOM 473 CA VAL X 139 -5.030 -10.000 2.771 1.00 0.00 C ATOM 474 C VAL X 139 -5.773 -11.278 2.372 1.00 0.00 C ATOM 475 O VAL X 139 -5.228 -12.381 2.381 1.00 0.00 O ATOM 476 CB VAL X 139 -3.495 -10.241 2.592 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.765 -8.934 2.587 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.902 -11.089 3.704 1.00 0.00 C ATOM 0 H VAL X 139 -4.917 -10.090 4.860 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.389 -9.209 2.113 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.379 -10.768 1.645 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.697 -9.114 2.462 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.128 -8.318 1.764 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.938 -8.417 3.531 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.835 -11.224 3.529 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.052 -10.590 4.661 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.393 -12.062 3.721 1.00 0.00 H new ATOM 488 N LEU X 140 -7.023 -11.114 1.960 1.00 0.00 N ATOM 489 CA LEU X 140 -7.827 -12.244 1.498 1.00 0.00 C ATOM 490 C LEU X 140 -7.153 -12.793 0.240 1.00 0.00 C ATOM 491 O LEU X 140 -7.148 -13.987 -0.037 1.00 0.00 O ATOM 492 CB LEU X 140 -9.289 -11.835 1.213 1.00 0.00 C ATOM 493 CG LEU X 140 -9.646 -10.786 0.137 1.00 0.00 C ATOM 494 CD1 LEU X 140 -11.142 -10.596 0.182 1.00 0.00 C ATOM 495 CD2 LEU X 140 -9.001 -9.416 0.319 1.00 0.00 C ATOM 0 H LEU X 140 -7.503 -10.214 1.935 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.877 -13.007 2.275 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.827 -12.747 0.955 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.705 -11.475 2.154 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.268 -11.172 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.438 -9.860 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -11.636 -11.545 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.435 -10.246 1.172 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -9.317 -8.755 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -9.309 -8.993 1.275 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -7.916 -9.519 0.300 1.00 0.00 H new ATOM 507 N ARG X 141 -6.580 -11.872 -0.523 1.00 0.00 N ATOM 508 CA ARG X 141 -5.861 -12.187 -1.754 1.00 0.00 C ATOM 509 C ARG X 141 -4.447 -12.407 -1.217 1.00 0.00 C ATOM 510 O ARG X 141 -3.965 -11.585 -0.462 1.00 0.00 O ATOM 511 CB ARG X 141 -6.014 -11.018 -2.738 1.00 0.00 C ATOM 512 CG ARG X 141 -5.347 -11.201 -4.089 1.00 0.00 C ATOM 513 CD ARG X 141 -5.716 -10.016 -4.995 1.00 0.00 C ATOM 514 NE ARG X 141 -5.175 -10.159 -6.348 1.00 0.00 N ATOM 515 CZ ARG X 141 -5.498 -9.365 -7.357 1.00 0.00 C ATOM 516 NH1 ARG X 141 -6.332 -8.384 -7.187 1.00 0.00 N ATOM 517 NH2 ARG X 141 -4.982 -9.560 -8.541 1.00 0.00 N ATOM 0 H ARG X 141 -6.600 -10.876 -0.305 1.00 0.00 H new ATOM 0 HA ARG X 141 -6.205 -13.048 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -7.077 -10.841 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -5.608 -10.120 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -4.265 -11.261 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -5.670 -12.137 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -6.801 -9.927 -5.048 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -5.341 -9.093 -4.552 1.00 0.00 H new ATOM 0 HE ARG X 141 -4.511 -10.913 -6.523 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -6.745 -8.219 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -6.574 -7.778 -7.971 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -4.327 -10.327 -8.692 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -5.234 -8.945 -9.315 1.00 0.00 H new ATOM 531 N GLN X 142 -3.804 -13.507 -1.581 1.00 0.00 N ATOM 532 CA GLN X 142 -2.465 -13.836 -1.073 1.00 0.00 C ATOM 533 C GLN X 142 -1.441 -12.705 -1.131 1.00 0.00 C ATOM 534 O GLN X 142 -1.276 -11.992 -2.133 1.00 0.00 O ATOM 535 CB GLN X 142 -1.917 -15.111 -1.737 1.00 0.00 C ATOM 536 CG GLN X 142 -1.579 -14.986 -3.232 1.00 0.00 C ATOM 537 CD GLN X 142 -2.795 -14.761 -4.099 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.784 -15.465 -4.000 1.00 0.00 O ATOM 539 NE2 GLN X 142 -2.735 -13.761 -4.939 1.00 0.00 N ATOM 0 H GLN X 142 -4.185 -14.196 -2.230 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.616 -14.013 -0.008 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.018 -15.420 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -2.650 -15.908 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -0.882 -14.160 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -1.069 -15.892 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -1.890 -13.192 -4.995 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -3.533 -13.550 -5.538 1.00 0.00 H new ATOM 548 N ALA X 143 -0.779 -12.550 0.006 1.00 0.00 N ATOM 549 CA ALA X 143 0.228 -11.534 0.215 1.00 0.00 C ATOM 550 C ALA X 143 1.638 -12.067 0.041 1.00 0.00 C ATOM 551 O ALA X 143 1.962 -13.172 0.481 1.00 0.00 O ATOM 552 CB ALA X 143 0.065 -10.980 1.553 1.00 0.00 C ATOM 0 H ALA X 143 -0.934 -13.142 0.822 1.00 0.00 H new ATOM 0 HA ALA X 143 0.089 -10.761 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.819 -10.212 1.723 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.928 -10.540 1.646 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.182 -11.773 2.292 1.00 0.00 H new ATOM 558 N LEU X 144 2.473 -11.297 -0.627 1.00 0.00 N ATOM 559 CA LEU X 144 3.836 -11.710 -0.874 1.00 0.00 C ATOM 560 C LEU X 144 4.781 -10.842 -0.067 1.00 0.00 C ATOM 561 O LEU X 144 4.646 -9.627 -0.051 1.00 0.00 O ATOM 562 CB LEU X 144 4.120 -11.647 -2.342 1.00 0.00 C ATOM 563 CG LEU X 144 3.166 -12.522 -3.160 1.00 0.00 C ATOM 564 CD1 LEU X 144 2.127 -11.726 -3.852 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.941 -13.267 -4.172 1.00 0.00 C ATOM 0 H LEU X 144 2.230 -10.382 -1.008 1.00 0.00 H new ATOM 0 HA LEU X 144 3.985 -12.742 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU X 144 4.041 -10.614 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU X 144 5.147 -11.965 -2.525 1.00 0.00 H new ATOM 0 HG LEU X 144 2.666 -13.199 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU X 144 1.476 -12.392 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU X 144 1.537 -11.180 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU X 144 2.603 -11.019 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.268 -13.892 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.449 -12.564 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU X 144 4.679 -13.896 -3.674 1.00 0.00 H new ATOM 577 N ARG X 145 5.718 -11.477 0.616 1.00 0.00 N ATOM 578 CA ARG X 145 6.645 -10.770 1.515 1.00 0.00 C ATOM 579 C ARG X 145 8.061 -10.666 1.086 1.00 0.00 C ATOM 580 O ARG X 145 8.780 -11.659 1.105 1.00 0.00 O ATOM 581 CB ARG X 145 6.674 -11.470 2.881 1.00 0.00 C ATOM 582 CG ARG X 145 7.545 -10.707 3.902 1.00 0.00 C ATOM 583 CD ARG X 145 7.566 -11.344 5.269 1.00 0.00 C ATOM 584 NE ARG X 145 8.385 -10.532 6.173 1.00 0.00 N ATOM 585 CZ ARG X 145 8.617 -10.829 7.438 1.00 0.00 C ATOM 586 NH1 ARG X 145 8.115 -11.913 7.964 1.00 0.00 N ATOM 587 NH2 ARG X 145 9.353 -10.036 8.170 1.00 0.00 N ATOM 0 H ARG X 145 5.866 -12.485 0.572 1.00 0.00 H new ATOM 0 HA ARG X 145 6.243 -9.757 1.527 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.658 -11.558 3.265 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.058 -12.483 2.761 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.565 -10.645 3.523 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.175 -9.685 3.991 1.00 0.00 H new ATOM 0 HD2 ARG X 145 6.551 -11.429 5.658 1.00 0.00 H new ATOM 0 HD3 ARG X 145 7.969 -12.355 5.205 1.00 0.00 H new ATOM 0 HE ARG X 145 8.804 -9.680 5.800 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.540 -12.536 7.397 1.00 0.00 H new ATOM 0 HH12 ARG X 145 8.298 -12.137 8.942 1.00 0.00 H new ATOM 0 HH21 ARG X 145 9.748 -9.188 7.764 1.00 0.00 H new ATOM 0 HH22 ARG X 145 9.533 -10.265 9.148 1.00 0.00 H new ATOM 601 N CYS X 146 8.522 -9.488 0.730 1.00 0.00 N ATOM 602 CA CYS X 146 9.913 -9.407 0.377 1.00 0.00 C ATOM 603 C CYS X 146 10.734 -9.378 1.670 1.00 0.00 C ATOM 604 O CYS X 146 10.951 -8.336 2.290 1.00 0.00 O ATOM 605 CB CYS X 146 10.213 -8.254 -0.533 1.00 0.00 C ATOM 606 SG CYS X 146 11.981 -8.084 -0.709 1.00 0.00 S ATOM 0 H CYS X 146 7.987 -8.621 0.679 1.00 0.00 H new ATOM 0 HA CYS X 146 10.192 -10.287 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.753 -8.416 -1.508 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.787 -7.336 -0.128 1.00 0.00 H new ATOM 0 HG CYS X 146 12.247 -7.021 -1.409 1.00 0.00 H new ATOM 611 N ALA X 147 11.156 -10.562 2.075 1.00 0.00 N ATOM 612 CA ALA X 147 11.937 -10.749 3.286 1.00 0.00 C ATOM 613 C ALA X 147 13.262 -9.990 3.216 1.00 0.00 C ATOM 614 O ALA X 147 13.905 -9.782 4.234 1.00 0.00 O ATOM 615 CB ALA X 147 12.194 -12.234 3.506 1.00 0.00 C ATOM 0 H ALA X 147 10.966 -11.427 1.570 1.00 0.00 H new ATOM 0 HA ALA X 147 11.368 -10.349 4.125 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.780 -12.371 4.415 1.00 0.00 H new ATOM 0 HB2 ALA X 147 11.243 -12.757 3.605 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.743 -12.638 2.656 1.00 0.00 H new ATOM 621 N ASN X 148 13.673 -9.601 2.012 1.00 0.00 N ATOM 622 CA ASN X 148 14.919 -8.862 1.842 1.00 0.00 C ATOM 623 C ASN X 148 14.979 -7.521 2.463 1.00 0.00 C ATOM 624 O ASN X 148 16.071 -6.989 2.614 1.00 0.00 O ATOM 625 CB ASN X 148 15.325 -8.688 0.366 1.00 0.00 C ATOM 626 CG ASN X 148 15.665 -9.976 -0.319 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.689 -11.038 0.284 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.915 -9.893 -1.605 1.00 0.00 N ATOM 0 H ASN X 148 13.165 -9.784 1.146 1.00 0.00 H new ATOM 0 HA ASN X 148 15.614 -9.510 2.375 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.509 -8.205 -0.172 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.184 -8.019 0.311 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.139 -10.734 -2.136 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.885 -8.987 -2.073 1.00 0.00 H new ATOM 635 N CYS X 149 13.852 -6.954 2.818 1.00 0.00 N ATOM 636 CA CYS X 149 13.915 -5.637 3.370 1.00 0.00 C ATOM 637 C CYS X 149 12.703 -5.151 4.135 1.00 0.00 C ATOM 638 O CYS X 149 12.732 -4.770 5.305 1.00 0.00 O ATOM 639 CB CYS X 149 14.143 -4.717 2.135 1.00 0.00 C ATOM 640 SG CYS X 149 12.936 -4.905 0.749 1.00 0.00 S ATOM 0 H CYS X 149 12.922 -7.366 2.738 1.00 0.00 H new ATOM 0 HA CYS X 149 14.699 -5.627 4.127 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.121 -3.680 2.471 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.144 -4.906 1.747 1.00 0.00 H new ATOM 0 HG CYS X 149 12.809 -6.164 0.452 1.00 0.00 H new ATOM 645 N LYS X 150 11.669 -5.061 3.347 1.00 0.00 N ATOM 646 CA LYS X 150 10.416 -4.419 3.762 1.00 0.00 C ATOM 647 C LYS X 150 9.136 -5.138 4.208 1.00 0.00 C ATOM 648 O LYS X 150 8.960 -5.349 5.399 1.00 0.00 O ATOM 649 CB LYS X 150 10.116 -3.387 2.683 1.00 0.00 C ATOM 650 CG LYS X 150 11.221 -2.296 2.735 1.00 0.00 C ATOM 651 CD LYS X 150 11.144 -1.203 1.712 1.00 0.00 C ATOM 652 CE LYS X 150 11.372 -1.729 0.303 1.00 0.00 C ATOM 653 NZ LYS X 150 11.379 -0.610 -0.700 1.00 0.00 N ATOM 0 H LYS X 150 11.653 -5.425 2.394 1.00 0.00 H new ATOM 0 HA LYS X 150 10.671 -4.091 4.770 1.00 0.00 H new ATOM 0 HB2 LYS X 150 10.094 -3.859 1.701 1.00 0.00 H new ATOM 0 HB3 LYS X 150 9.134 -2.942 2.845 1.00 0.00 H new ATOM 0 HG2 LYS X 150 11.199 -1.837 3.724 1.00 0.00 H new ATOM 0 HG3 LYS X 150 12.188 -2.788 2.634 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.167 -0.723 1.767 1.00 0.00 H new ATOM 0 HD3 LYS X 150 11.888 -0.440 1.939 1.00 0.00 H new ATOM 0 HE2 LYS X 150 12.320 -2.265 0.261 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.590 -2.445 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 11.315 -1.004 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 10.567 0.016 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.261 -0.066 -0.607 1.00 0.00 H new ATOM 667 N PHE X 151 8.229 -5.473 3.304 1.00 0.00 N ATOM 668 CA PHE X 151 6.956 -6.074 3.732 1.00 0.00 C ATOM 669 C PHE X 151 6.192 -7.094 2.904 1.00 0.00 C ATOM 670 O PHE X 151 6.550 -7.425 1.767 1.00 0.00 O ATOM 671 CB PHE X 151 5.996 -4.907 3.924 1.00 0.00 C ATOM 672 CG PHE X 151 5.897 -3.968 2.751 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.225 -4.334 1.593 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.434 -2.696 2.830 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.107 -3.447 0.540 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.315 -1.812 1.775 1.00 0.00 C ATOM 677 CZ PHE X 151 5.646 -2.190 0.636 1.00 0.00 C ATOM 0 H PHE X 151 8.335 -5.348 2.297 1.00 0.00 H new ATOM 0 HA PHE X 151 7.277 -6.677 4.582 1.00 0.00 H new ATOM 0 HB2 PHE X 151 5.003 -5.303 4.138 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.308 -4.339 4.800 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.791 -5.320 1.514 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.952 -2.390 3.727 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.589 -3.744 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.747 -0.825 1.846 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.545 -1.496 -0.185 1.00 0.00 H new ATOM 687 N THR X 152 5.095 -7.560 3.509 1.00 0.00 N ATOM 688 CA THR X 152 4.179 -8.498 2.899 1.00 0.00 C ATOM 689 C THR X 152 2.923 -7.775 2.427 1.00 0.00 C ATOM 690 O THR X 152 2.044 -7.425 3.179 1.00 0.00 O ATOM 691 CB THR X 152 3.837 -9.655 3.863 1.00 0.00 C ATOM 692 OG1 THR X 152 2.948 -10.556 3.207 1.00 0.00 O ATOM 693 CG2 THR X 152 3.200 -9.226 5.146 1.00 0.00 C ATOM 0 H THR X 152 4.824 -7.284 4.453 1.00 0.00 H new ATOM 0 HA THR X 152 4.666 -8.940 2.029 1.00 0.00 H new ATOM 0 HB THR X 152 4.788 -10.119 4.123 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.110 -10.614 3.712 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.995 -10.102 5.761 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.874 -8.557 5.681 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.266 -8.706 4.932 1.00 0.00 H new ATOM 701 N CYS X 153 2.878 -7.513 1.142 1.00 0.00 N ATOM 702 CA CYS X 153 1.756 -6.790 0.553 1.00 0.00 C ATOM 703 C CYS X 153 0.844 -7.675 -0.285 1.00 0.00 C ATOM 704 O CYS X 153 1.284 -8.718 -0.778 1.00 0.00 O ATOM 705 CB CYS X 153 2.330 -5.731 -0.373 1.00 0.00 C ATOM 706 SG CYS X 153 3.305 -6.399 -1.729 1.00 0.00 S ATOM 0 H CYS X 153 3.602 -7.786 0.477 1.00 0.00 H new ATOM 0 HA CYS X 153 1.164 -6.379 1.371 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.512 -5.140 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.953 -5.052 0.209 1.00 0.00 H new ATOM 0 HG CYS X 153 2.942 -7.625 -1.962 1.00 0.00 H new ATOM 712 N HIS X 154 -0.401 -7.259 -0.509 1.00 0.00 N ATOM 713 CA HIS X 154 -1.290 -8.047 -1.390 1.00 0.00 C ATOM 714 C HIS X 154 -0.544 -8.133 -2.742 1.00 0.00 C ATOM 715 O HIS X 154 0.212 -7.213 -3.116 1.00 0.00 O ATOM 716 CB HIS X 154 -2.665 -7.401 -1.718 1.00 0.00 C ATOM 717 CG HIS X 154 -3.548 -7.100 -0.541 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.401 -5.969 0.269 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.634 -7.797 -0.062 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.401 -6.048 1.200 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.139 -7.119 1.007 1.00 0.00 N ATOM 0 H HIS X 154 -0.815 -6.414 -0.114 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.499 -8.985 -0.876 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.488 -6.473 -2.261 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.205 -8.066 -2.392 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.695 -5.238 0.184 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.020 -8.722 -0.464 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.562 -5.327 1.988 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -5.949 -7.395 1.562 1.00 0.00 H new ATOM 729 N SER X 155 -0.761 -9.204 -3.496 1.00 0.00 N ATOM 730 CA SER X 155 -0.097 -9.347 -4.797 1.00 0.00 C ATOM 731 C SER X 155 -0.382 -8.100 -5.619 1.00 0.00 C ATOM 732 O SER X 155 0.483 -7.550 -6.288 1.00 0.00 O ATOM 733 CB SER X 155 -0.609 -10.592 -5.535 1.00 0.00 C ATOM 734 OG SER X 155 -2.005 -10.519 -5.788 1.00 0.00 O ATOM 0 H SER X 155 -1.378 -9.975 -3.241 1.00 0.00 H new ATOM 0 HA SER X 155 0.976 -9.465 -4.648 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.074 -10.701 -6.478 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.393 -11.481 -4.942 1.00 0.00 H new ATOM 0 HG SER X 155 -2.295 -11.327 -6.260 1.00 0.00 H new ATOM 740 N GLU X 156 -1.626 -7.674 -5.541 1.00 0.00 N ATOM 741 CA GLU X 156 -2.117 -6.493 -6.221 1.00 0.00 C ATOM 742 C GLU X 156 -1.390 -5.240 -5.714 1.00 0.00 C ATOM 743 O GLU X 156 -0.963 -4.391 -6.500 1.00 0.00 O ATOM 744 CB GLU X 156 -3.613 -6.440 -5.955 1.00 0.00 C ATOM 745 CG GLU X 156 -4.370 -5.312 -6.598 1.00 0.00 C ATOM 746 CD GLU X 156 -5.863 -5.440 -6.319 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.171 -6.215 -5.377 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.592 -5.234 -7.311 1.00 0.00 O ATOM 0 H GLU X 156 -2.340 -8.150 -4.990 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.928 -6.533 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.052 -7.380 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.766 -6.383 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -4.004 -4.358 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.194 -5.315 -7.674 1.00 0.00 H new ATOM 755 N CYS X 157 -1.226 -5.153 -4.397 1.00 0.00 N ATOM 756 CA CYS X 157 -0.548 -4.039 -3.758 1.00 0.00 C ATOM 757 C CYS X 157 0.919 -3.905 -4.150 1.00 0.00 C ATOM 758 O CYS X 157 1.498 -2.840 -3.955 1.00 0.00 O ATOM 759 CB CYS X 157 -0.710 -4.131 -2.247 1.00 0.00 C ATOM 760 SG CYS X 157 -2.398 -3.891 -1.790 1.00 0.00 S ATOM 0 H CYS X 157 -1.563 -5.859 -3.743 1.00 0.00 H new ATOM 0 HA CYS X 157 -1.026 -3.129 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.367 -5.105 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS X 157 -0.086 -3.381 -1.762 1.00 0.00 H new ATOM 0 HG CYS X 157 -2.463 -3.071 -0.783 1.00 0.00 H new ATOM 765 N ARG X 158 1.527 -4.950 -4.716 1.00 0.00 N ATOM 766 CA ARG X 158 2.937 -4.804 -5.156 1.00 0.00 C ATOM 767 C ARG X 158 3.070 -3.609 -6.101 1.00 0.00 C ATOM 768 O ARG X 158 4.114 -2.985 -6.173 1.00 0.00 O ATOM 769 CB ARG X 158 3.487 -5.986 -5.957 1.00 0.00 C ATOM 770 CG ARG X 158 3.737 -7.304 -5.268 1.00 0.00 C ATOM 771 CD ARG X 158 4.404 -8.147 -6.353 1.00 0.00 C ATOM 772 NE ARG X 158 4.848 -9.482 -5.959 1.00 0.00 N ATOM 773 CZ ARG X 158 5.590 -10.240 -6.750 1.00 0.00 C ATOM 774 NH1 ARG X 158 5.934 -9.798 -7.928 1.00 0.00 N ATOM 775 NH2 ARG X 158 5.990 -11.423 -6.380 1.00 0.00 N ATOM 0 H ARG X 158 1.104 -5.863 -4.879 1.00 0.00 H new ATOM 0 HA ARG X 158 3.493 -4.705 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.794 -6.174 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.430 -5.667 -6.402 1.00 0.00 H new ATOM 0 HG2 ARG X 158 4.382 -7.187 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.809 -7.758 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.705 -8.251 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG X 158 5.267 -7.598 -6.730 1.00 0.00 H new ATOM 0 HE ARG X 158 4.577 -9.842 -5.044 1.00 0.00 H new ATOM 0 HH11 ARG X 158 5.631 -8.873 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG X 158 6.506 -10.377 -8.543 1.00 0.00 H new ATOM 0 HH21 ARG X 158 5.732 -11.785 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG X 158 6.561 -11.988 -7.008 1.00 0.00 H new ATOM 789 N SER X 159 2.006 -3.305 -6.829 1.00 0.00 N ATOM 790 CA SER X 159 1.999 -2.176 -7.763 1.00 0.00 C ATOM 791 C SER X 159 2.376 -0.852 -7.088 1.00 0.00 C ATOM 792 O SER X 159 3.097 -0.038 -7.658 1.00 0.00 O ATOM 793 CB SER X 159 0.619 -2.047 -8.411 1.00 0.00 C ATOM 794 OG SER X 159 -0.389 -1.835 -7.436 1.00 0.00 O ATOM 0 H SER X 159 1.129 -3.824 -6.794 1.00 0.00 H new ATOM 0 HA SER X 159 2.754 -2.382 -8.522 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.623 -1.218 -9.119 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.395 -2.950 -8.978 1.00 0.00 H new ATOM 0 HG SER X 159 -0.645 -2.693 -7.038 1.00 0.00 H new ATOM 800 N LEU X 160 1.880 -0.651 -5.875 1.00 0.00 N ATOM 801 CA LEU X 160 2.129 0.562 -5.097 1.00 0.00 C ATOM 802 C LEU X 160 3.582 0.749 -4.635 1.00 0.00 C ATOM 803 O LEU X 160 3.911 1.771 -4.039 1.00 0.00 O ATOM 804 CB LEU X 160 1.215 0.551 -3.864 1.00 0.00 C ATOM 805 CG LEU X 160 -0.292 0.470 -4.151 1.00 0.00 C ATOM 806 CD1 LEU X 160 -1.052 0.563 -2.853 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.742 1.580 -5.075 1.00 0.00 C ATOM 0 H LEU X 160 1.288 -1.329 -5.396 1.00 0.00 H new ATOM 0 HA LEU X 160 1.919 1.397 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.492 -0.296 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.407 1.454 -3.284 1.00 0.00 H new ATOM 0 HG LEU X 160 -0.493 -0.482 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -2.122 0.506 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.760 -0.260 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.824 1.511 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.813 1.491 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.531 2.545 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -0.207 1.505 -6.022 1.00 0.00 H new ATOM 819 N ILE X 161 4.458 -0.209 -4.907 1.00 0.00 N ATOM 820 CA ILE X 161 5.860 -0.083 -4.505 1.00 0.00 C ATOM 821 C ILE X 161 6.766 -0.358 -5.709 1.00 0.00 C ATOM 822 O ILE X 161 7.028 -1.492 -6.092 1.00 0.00 O ATOM 823 CB ILE X 161 6.204 -0.979 -3.249 1.00 0.00 C ATOM 824 CG1 ILE X 161 7.735 -1.037 -3.031 1.00 0.00 C ATOM 825 CG2 ILE X 161 5.578 -2.394 -3.385 1.00 0.00 C ATOM 826 CD1 ILE X 161 8.195 -1.936 -1.890 1.00 0.00 C ATOM 0 H ILE X 161 4.231 -1.074 -5.398 1.00 0.00 H new ATOM 0 HA ILE X 161 6.043 0.941 -4.178 1.00 0.00 H new ATOM 0 HB ILE X 161 5.763 -0.523 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.204 -1.379 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE X 161 8.098 -0.026 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE X 161 5.830 -2.989 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE X 161 4.494 -2.306 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE X 161 5.969 -2.881 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE X 161 9.282 -1.908 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE X 161 7.762 -1.585 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.870 -2.959 -2.079 1.00 0.00 H new ATOM 838 N GLN X 162 7.240 0.726 -6.302 1.00 0.00 N ATOM 839 CA GLN X 162 8.129 0.664 -7.462 1.00 0.00 C ATOM 840 C GLN X 162 9.587 0.803 -7.014 1.00 0.00 C ATOM 841 O GLN X 162 10.475 1.071 -7.812 1.00 0.00 O ATOM 842 CB GLN X 162 7.774 1.790 -8.436 1.00 0.00 C ATOM 843 CG GLN X 162 6.381 1.641 -9.046 1.00 0.00 C ATOM 844 CD GLN X 162 6.063 2.757 -10.013 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.100 3.925 -9.666 1.00 0.00 O ATOM 846 NE2 GLN X 162 5.749 2.403 -11.234 1.00 0.00 N ATOM 0 H GLN X 162 7.023 1.675 -5.997 1.00 0.00 H new ATOM 0 HA GLN X 162 8.005 -0.298 -7.959 1.00 0.00 H new ATOM 0 HB2 GLN X 162 7.835 2.745 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN X 162 8.513 1.816 -9.237 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.312 0.684 -9.562 1.00 0.00 H new ATOM 0 HG3 GLN X 162 5.636 1.628 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN X 162 5.728 1.416 -11.489 1.00 0.00 H new ATOM 0 HE22 GLN X 162 5.525 3.115 -11.930 1.00 0.00 H new ATOM 855 N LEU X 163 9.816 0.647 -5.719 1.00 0.00 N ATOM 856 CA LEU X 163 11.158 0.772 -5.150 1.00 0.00 C ATOM 857 C LEU X 163 11.665 -0.536 -4.564 1.00 0.00 C ATOM 858 O LEU X 163 11.145 -1.002 -3.550 1.00 0.00 O ATOM 859 CB LEU X 163 11.150 1.838 -4.047 1.00 0.00 C ATOM 860 CG LEU X 163 10.891 3.283 -4.491 1.00 0.00 C ATOM 861 CD1 LEU X 163 10.997 4.179 -3.280 1.00 0.00 C ATOM 862 CD2 LEU X 163 11.895 3.740 -5.530 1.00 0.00 C ATOM 0 H LEU X 163 9.089 0.433 -5.036 1.00 0.00 H new ATOM 0 HA LEU X 163 11.827 1.057 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU X 163 10.390 1.565 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU X 163 12.112 1.806 -3.535 1.00 0.00 H new ATOM 0 HG LEU X 163 9.898 3.335 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU X 163 10.816 5.213 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU X 163 10.257 3.878 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.995 4.094 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU X 163 11.677 4.768 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU X 163 12.901 3.685 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU X 163 11.830 3.096 -6.407 1.00 0.00 H new ATOM 874 N ASP X 164 12.681 -1.105 -5.204 1.00 0.00 N ATOM 875 CA ASP X 164 13.325 -2.369 -4.790 1.00 0.00 C ATOM 876 C ASP X 164 13.903 -2.377 -3.378 1.00 0.00 C ATOM 877 O ASP X 164 13.779 -1.405 -2.637 1.00 0.00 O ATOM 878 CB ASP X 164 14.385 -2.779 -5.818 1.00 0.00 C ATOM 879 CG ASP X 164 13.777 -3.147 -7.155 1.00 0.00 C ATOM 880 OD1 ASP X 164 12.580 -3.511 -7.142 1.00 0.00 O ATOM 881 OD2 ASP X 164 14.560 -3.294 -8.107 1.00 0.00 O ATOM 0 H ASP X 164 13.096 -0.701 -6.043 1.00 0.00 H new ATOM 0 HA ASP X 164 12.522 -3.106 -4.758 1.00 0.00 H new ATOM 0 HB2 ASP X 164 15.091 -1.960 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP X 164 14.952 -3.627 -5.434 1.00 0.00 H new ATOM 886 N CYS X 165 14.496 -3.498 -2.990 1.00 0.00 N ATOM 887 CA CYS X 165 15.069 -3.649 -1.673 1.00 0.00 C ATOM 888 C CYS X 165 16.102 -2.542 -1.395 1.00 0.00 C ATOM 889 O CYS X 165 17.136 -2.450 -2.061 1.00 0.00 O ATOM 890 CB CYS X 165 15.728 -5.029 -1.609 1.00 0.00 C ATOM 891 SG CYS X 165 14.752 -6.363 -2.287 1.00 0.00 S ATOM 0 H CYS X 165 14.590 -4.323 -3.583 1.00 0.00 H new ATOM 0 HA CYS X 165 14.292 -3.563 -0.913 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.678 -4.987 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.956 -5.258 -0.568 1.00 0.00 H new ATOM 0 HG CYS X 165 13.541 -5.946 -2.509 1.00 0.00 H new ATOM 896 N ARG X 166 15.777 -1.681 -0.441 1.00 0.00 N ATOM 897 CA ARG X 166 16.654 -0.560 -0.066 1.00 0.00 C ATOM 898 C ARG X 166 17.458 -0.930 1.165 1.00 0.00 C ATOM 899 O ARG X 166 18.205 -0.051 1.633 1.00 0.00 O ATOM 900 CB ARG X 166 15.856 0.728 0.203 1.00 0.00 C ATOM 901 CG ARG X 166 14.991 1.238 -0.972 1.00 0.00 C ATOM 902 CD ARG X 166 15.800 1.620 -2.233 1.00 0.00 C ATOM 903 NE ARG X 166 16.320 0.432 -2.910 1.00 0.00 N ATOM 904 CZ ARG X 166 16.974 0.434 -4.053 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.198 1.550 -4.688 1.00 0.00 N ATOM 906 NH2 ARG X 166 17.400 -0.693 -4.550 1.00 0.00 N ATOM 907 OXT ARG X 166 17.161 -2.013 1.694 1.00 0.00 O ATOM 0 H ARG X 166 14.910 -1.731 0.095 1.00 0.00 H new ATOM 0 HA ARG X 166 17.323 -0.367 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG X 166 15.206 0.558 1.062 1.00 0.00 H new ATOM 0 HB3 ARG X 166 16.556 1.515 0.483 1.00 0.00 H new ATOM 0 HG2 ARG X 166 14.267 0.467 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG X 166 14.423 2.108 -0.640 1.00 0.00 H new ATOM 0 HD2 ARG X 166 15.166 2.183 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG X 166 16.627 2.273 -1.954 1.00 0.00 H new ATOM 0 HE ARG X 166 16.163 -0.470 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG X 166 16.866 2.433 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG X 166 17.706 1.540 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG X 166 17.226 -1.567 -4.054 1.00 0.00 H new ATOM 0 HH22 ARG X 166 17.907 -0.701 -5.435 1.00 0.00 H new