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 -130:sc= 1.22 USER MOD Set 1.2: X 135 CYS SG : rot -158:sc= 2.21 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -2.48 K(o=0.68,f=-11!) USER MOD Set 1.4: X 157 CYS SG : rot -136:sc= -0.268 USER MOD Set 2.1: X 118 HIS : no HD1:sc= 0.131 K(o=-2.1,f=-18!) USER MOD Set 2.2: X 146 CYS SG : rot -179:sc= -1.3! USER MOD Set 2.3: X 148 ASN : amide:sc= 1.14 K(o=-2.1,f=-12!) USER MOD Set 2.4: X 149 CYS SG : rot -23:sc= -2.36! USER MOD Set 2.5: X 165 CYS SG : rot 6:sc= 0.243 USER MOD Single : X 142 GLN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Single : X 150 LYS NZ :NH3+ 175:sc= 1.12 (180deg=1.09) USER MOD Single : X 152 THR OG1 : rot 180:sc= 0 USER MOD Single : X 153 CYS SG : rot 80:sc= 0.0515 USER MOD Single : X 155 SER OG : rot -23:sc= 1.48 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc=-0.00285 X(o=-0.0029,f=0) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 13.198 -7.540 -4.883 1.00 0.00 N ATOM 153 CA HIS X 118 12.049 -7.978 -4.080 1.00 0.00 C ATOM 154 C HIS X 118 11.504 -9.343 -4.460 1.00 0.00 C ATOM 155 O HIS X 118 10.741 -9.494 -5.419 1.00 0.00 O ATOM 156 CB HIS X 118 10.863 -7.023 -4.109 1.00 0.00 C ATOM 157 CG HIS X 118 11.120 -5.672 -3.525 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.932 -5.445 -2.418 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.587 -4.468 -3.882 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.875 -4.110 -2.187 1.00 0.00 C ATOM 161 NE2 HIS X 118 11.075 -3.519 -3.049 1.00 0.00 N ATOM 0 HA HIS X 118 12.484 -8.010 -3.081 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.542 -6.899 -5.143 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.034 -7.482 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.893 -4.300 -4.692 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.413 -3.600 -1.402 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.861 -2.522 -3.083 1.00 0.00 H new ATOM 169 N ARG X 119 11.885 -10.340 -3.680 1.00 0.00 N ATOM 170 CA ARG X 119 11.433 -11.696 -3.909 1.00 0.00 C ATOM 171 C ARG X 119 9.936 -11.806 -3.747 1.00 0.00 C ATOM 172 O ARG X 119 9.294 -12.543 -4.487 1.00 0.00 O ATOM 173 CB ARG X 119 12.187 -12.691 -3.025 1.00 0.00 C ATOM 174 CG ARG X 119 11.986 -12.522 -1.517 1.00 0.00 C ATOM 175 CD ARG X 119 12.799 -13.547 -0.724 1.00 0.00 C ATOM 176 NE ARG X 119 14.237 -13.298 -0.818 1.00 0.00 N ATOM 177 CZ ARG X 119 15.076 -13.935 -1.614 1.00 0.00 C ATOM 178 NH1 ARG X 119 14.674 -14.879 -2.401 1.00 0.00 N ATOM 179 NH2 ARG X 119 16.336 -13.612 -1.610 1.00 0.00 N ATOM 0 H ARG X 119 12.509 -10.232 -2.880 1.00 0.00 H new ATOM 0 HA ARG X 119 11.661 -11.957 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG X 119 11.882 -13.700 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.252 -12.608 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.280 -11.515 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG X 119 10.929 -12.630 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG X 119 12.494 -13.520 0.322 1.00 0.00 H new ATOM 0 HD3 ARG X 119 12.580 -14.548 -1.094 1.00 0.00 H new ATOM 0 HE ARG X 119 14.625 -12.570 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG X 119 13.690 -15.146 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.341 -15.357 -3.007 1.00 0.00 H new ATOM 0 HH21 ARG X 119 16.670 -12.871 -0.994 1.00 0.00 H new ATOM 0 HH22 ARG X 119 16.990 -14.100 -2.222 1.00 0.00 H new ATOM 193 N PHE X 120 9.381 -11.077 -2.780 1.00 0.00 N ATOM 194 CA PHE X 120 7.940 -11.087 -2.530 1.00 0.00 C ATOM 195 C PHE X 120 7.441 -12.508 -2.330 1.00 0.00 C ATOM 196 O PHE X 120 6.610 -12.997 -3.086 1.00 0.00 O ATOM 197 CB PHE X 120 7.136 -10.420 -3.637 1.00 0.00 C ATOM 198 CG PHE X 120 7.249 -8.920 -3.678 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.840 -8.162 -2.593 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.696 -8.264 -4.811 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.894 -6.793 -2.623 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.741 -6.874 -4.844 1.00 0.00 C ATOM 203 CZ PHE X 120 7.344 -6.145 -3.741 1.00 0.00 C ATOM 0 H PHE X 120 9.910 -10.469 -2.154 1.00 0.00 H new ATOM 0 HA PHE X 120 7.787 -10.506 -1.621 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.461 -10.822 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.086 -10.689 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.472 -8.659 -1.708 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.011 -8.833 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.580 -6.223 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.086 -6.366 -5.732 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.388 -5.066 -3.760 1.00 0.00 H new ATOM 213 N VAL X 121 7.974 -13.195 -1.348 1.00 0.00 N ATOM 214 CA VAL X 121 7.551 -14.580 -1.120 1.00 0.00 C ATOM 215 C VAL X 121 6.161 -14.688 -0.504 1.00 0.00 C ATOM 216 O VAL X 121 5.933 -14.332 0.639 1.00 0.00 O ATOM 217 CB VAL X 121 8.589 -15.440 -0.341 1.00 0.00 C ATOM 218 CG1 VAL X 121 9.745 -15.780 -1.256 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.138 -14.724 0.879 1.00 0.00 C ATOM 0 H VAL X 121 8.682 -12.842 -0.704 1.00 0.00 H new ATOM 0 HA VAL X 121 7.493 -15.009 -2.120 1.00 0.00 H new ATOM 0 HB VAL X 121 8.073 -16.339 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.474 -16.382 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.377 -16.342 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.219 -14.861 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL X 121 9.857 -15.368 1.386 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.631 -13.803 0.569 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.321 -14.487 1.560 1.00 0.00 H new ATOM 229 N GLU X 122 5.228 -15.169 -1.312 1.00 0.00 N ATOM 230 CA GLU X 122 3.841 -15.361 -0.910 1.00 0.00 C ATOM 231 C GLU X 122 3.706 -16.147 0.403 1.00 0.00 C ATOM 232 O GLU X 122 4.182 -17.274 0.529 1.00 0.00 O ATOM 233 CB GLU X 122 3.139 -16.158 -2.013 1.00 0.00 C ATOM 234 CG GLU X 122 3.047 -15.420 -3.328 1.00 0.00 C ATOM 235 CD GLU X 122 2.492 -16.282 -4.437 1.00 0.00 C ATOM 236 OE1 GLU X 122 1.390 -16.827 -4.265 1.00 0.00 O ATOM 237 OE2 GLU X 122 3.275 -16.538 -5.385 1.00 0.00 O ATOM 0 H GLU X 122 5.414 -15.441 -2.277 1.00 0.00 H new ATOM 0 HA GLU X 122 3.398 -14.377 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.673 -17.095 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU X 122 2.134 -16.416 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU X 122 2.414 -14.541 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU X 122 4.037 -15.063 -3.611 1.00 0.00 H new ATOM 244 N LEU X 123 3.049 -15.533 1.373 1.00 0.00 N ATOM 245 CA LEU X 123 2.829 -16.098 2.677 1.00 0.00 C ATOM 246 C LEU X 123 1.866 -17.288 2.625 1.00 0.00 C ATOM 247 O LEU X 123 0.802 -17.215 2.013 1.00 0.00 O ATOM 248 CB LEU X 123 2.280 -14.971 3.550 1.00 0.00 C ATOM 249 CG LEU X 123 1.808 -15.337 4.940 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.921 -15.906 5.796 1.00 0.00 C ATOM 251 CD2 LEU X 123 1.248 -14.100 5.600 1.00 0.00 C ATOM 0 H LEU X 123 2.646 -14.602 1.263 1.00 0.00 H new ATOM 0 HA LEU X 123 3.759 -16.492 3.088 1.00 0.00 H new ATOM 0 HB2 LEU X 123 3.055 -14.211 3.646 1.00 0.00 H new ATOM 0 HB3 LEU X 123 1.446 -14.510 3.021 1.00 0.00 H new ATOM 0 HG LEU X 123 1.046 -16.110 4.846 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.531 -16.153 6.783 1.00 0.00 H new ATOM 0 HD12 LEU X 123 3.317 -16.807 5.327 1.00 0.00 H new ATOM 0 HD13 LEU X 123 3.718 -15.169 5.894 1.00 0.00 H new ATOM 0 HD21 LEU X 123 0.903 -14.348 6.604 1.00 0.00 H new ATOM 0 HD22 LEU X 123 2.024 -13.337 5.661 1.00 0.00 H new ATOM 0 HD23 LEU X 123 0.412 -13.721 5.012 1.00 0.00 H new ATOM 330 N PRO X 129 -6.432 -15.391 8.184 1.00 0.00 N ATOM 331 CA PRO X 129 -6.227 -14.019 7.707 1.00 0.00 C ATOM 332 C PRO X 129 -4.763 -13.634 7.606 1.00 0.00 C ATOM 333 O PRO X 129 -3.901 -14.224 8.255 1.00 0.00 O ATOM 334 CB PRO X 129 -6.876 -13.177 8.813 1.00 0.00 C ATOM 335 CG PRO X 129 -6.705 -14.012 10.033 1.00 0.00 C ATOM 336 CD PRO X 129 -6.981 -15.407 9.551 1.00 0.00 C ATOM 0 HA PRO X 129 -6.638 -13.884 6.706 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.388 -12.208 8.918 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -7.928 -12.983 8.604 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -5.699 -13.922 10.442 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -7.398 -13.716 10.821 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -6.492 -16.155 10.175 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.047 -15.634 9.557 1.00 0.00 H new ATOM 344 N GLY X 130 -4.487 -12.619 6.808 1.00 0.00 N ATOM 345 CA GLY X 130 -3.135 -12.130 6.660 1.00 0.00 C ATOM 346 C GLY X 130 -3.348 -10.651 6.510 1.00 0.00 C ATOM 347 O GLY X 130 -4.475 -10.245 6.248 1.00 0.00 O ATOM 0 H GLY X 130 -5.183 -12.120 6.254 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.519 -12.367 7.528 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.639 -12.560 5.790 1.00 0.00 H new ATOM 351 N TRP X 131 -2.318 -9.846 6.680 1.00 0.00 N ATOM 352 CA TRP X 131 -2.460 -8.400 6.578 1.00 0.00 C ATOM 353 C TRP X 131 -1.399 -7.765 5.681 1.00 0.00 C ATOM 354 O TRP X 131 -0.221 -8.085 5.810 1.00 0.00 O ATOM 355 CB TRP X 131 -2.390 -7.852 8.005 1.00 0.00 C ATOM 356 CG TRP X 131 -3.584 -8.353 8.800 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.691 -9.521 9.506 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.854 -7.695 8.954 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.938 -9.640 10.057 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.675 -8.535 9.738 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.375 -6.483 8.506 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.986 -8.198 10.064 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.675 -6.144 8.830 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.472 -7.004 9.600 1.00 0.00 C ATOM 0 H TRP X 131 -1.372 -10.165 6.890 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.411 -8.151 6.107 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.463 -8.169 8.483 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.383 -6.762 7.987 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.900 -10.249 9.613 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.265 -10.428 10.616 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.769 -5.815 7.912 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.599 -8.856 10.662 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.083 -5.205 8.486 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.488 -6.720 9.831 1.00 0.00 H new ATOM 375 N CYS X 132 -1.819 -6.882 4.781 1.00 0.00 N ATOM 376 CA CYS X 132 -0.906 -6.166 3.893 1.00 0.00 C ATOM 377 C CYS X 132 -0.349 -5.158 4.871 1.00 0.00 C ATOM 378 O CYS X 132 -1.014 -4.180 5.134 1.00 0.00 O ATOM 379 CB CYS X 132 -1.702 -5.490 2.774 1.00 0.00 C ATOM 380 SG CYS X 132 -0.766 -4.481 1.610 1.00 0.00 S ATOM 0 H CYS X 132 -2.801 -6.642 4.646 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.152 -6.767 3.384 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.222 -6.265 2.211 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.466 -4.861 3.232 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.333 -3.317 1.491 1.00 0.00 H new ATOM 385 N ASP X 133 0.834 -5.390 5.420 1.00 0.00 N ATOM 386 CA ASP X 133 1.376 -4.473 6.450 1.00 0.00 C ATOM 387 C ASP X 133 1.440 -3.048 5.904 1.00 0.00 C ATOM 388 O ASP X 133 1.269 -2.075 6.631 1.00 0.00 O ATOM 389 CB ASP X 133 2.702 -4.979 7.062 1.00 0.00 C ATOM 390 CG ASP X 133 3.860 -4.957 6.095 1.00 0.00 C ATOM 391 OD1 ASP X 133 4.240 -3.839 5.732 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.556 -6.007 6.004 1.00 0.00 O ATOM 0 H ASP X 133 1.435 -6.180 5.187 1.00 0.00 H new ATOM 0 HA ASP X 133 0.688 -4.456 7.296 1.00 0.00 H new ATOM 0 HB2 ASP X 133 2.951 -4.365 7.928 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.560 -5.998 7.423 1.00 0.00 H new ATOM 397 N LEU X 134 1.633 -2.967 4.602 1.00 0.00 N ATOM 398 CA LEU X 134 1.656 -1.717 3.869 1.00 0.00 C ATOM 399 C LEU X 134 0.318 -0.952 4.010 1.00 0.00 C ATOM 400 O LEU X 134 0.294 0.225 4.359 1.00 0.00 O ATOM 401 CB LEU X 134 1.938 -2.067 2.407 1.00 0.00 C ATOM 402 CG LEU X 134 1.553 -1.057 1.334 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.297 0.249 1.485 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.858 -1.670 -0.004 1.00 0.00 C ATOM 0 H LEU X 134 1.781 -3.786 4.012 1.00 0.00 H new ATOM 0 HA LEU X 134 2.426 -1.056 4.266 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.006 -2.261 2.312 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.423 -3.001 2.184 1.00 0.00 H new ATOM 0 HG LEU X 134 0.492 -0.826 1.430 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.989 0.937 0.697 1.00 0.00 H new ATOM 0 HD12 LEU X 134 2.071 0.686 2.457 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.369 0.068 1.409 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.592 -0.968 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.922 -1.900 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.281 -2.587 -0.124 1.00 0.00 H new ATOM 416 N CYS X 135 -0.783 -1.632 3.707 1.00 0.00 N ATOM 417 CA CYS X 135 -2.124 -1.035 3.775 1.00 0.00 C ATOM 418 C CYS X 135 -2.770 -1.070 5.169 1.00 0.00 C ATOM 419 O CYS X 135 -3.642 -0.265 5.517 1.00 0.00 O ATOM 420 CB CYS X 135 -3.047 -1.796 2.807 1.00 0.00 C ATOM 421 SG CYS X 135 -2.613 -1.587 1.105 1.00 0.00 S ATOM 0 H CYS X 135 -0.778 -2.607 3.408 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.002 0.016 3.511 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.021 -2.858 3.052 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.073 -1.459 2.956 1.00 0.00 H new ATOM 0 HG CYS X 135 -3.646 -1.843 0.359 1.00 0.00 H new ATOM 426 N GLY X 136 -2.379 -2.073 5.930 1.00 0.00 N ATOM 427 CA GLY X 136 -2.930 -2.309 7.248 1.00 0.00 C ATOM 428 C GLY X 136 -4.272 -2.987 7.050 1.00 0.00 C ATOM 429 O GLY X 136 -5.062 -3.115 7.980 1.00 0.00 O ATOM 0 H GLY X 136 -1.668 -2.749 5.650 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.263 -2.938 7.838 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.048 -1.371 7.791 1.00 0.00 H new ATOM 433 N ARG X 137 -4.534 -3.408 5.813 1.00 0.00 N ATOM 434 CA ARG X 137 -5.799 -4.071 5.459 1.00 0.00 C ATOM 435 C ARG X 137 -5.628 -5.562 5.187 1.00 0.00 C ATOM 436 O ARG X 137 -4.592 -6.005 4.697 1.00 0.00 O ATOM 437 CB ARG X 137 -6.420 -3.442 4.202 1.00 0.00 C ATOM 438 CG ARG X 137 -6.647 -1.931 4.253 1.00 0.00 C ATOM 439 CD ARG X 137 -7.566 -1.527 5.378 1.00 0.00 C ATOM 440 NE ARG X 137 -6.769 -0.953 6.461 1.00 0.00 N ATOM 441 CZ ARG X 137 -7.215 -0.740 7.683 1.00 0.00 C ATOM 442 NH1 ARG X 137 -8.440 -1.053 8.000 1.00 0.00 N ATOM 443 NH2 ARG X 137 -6.428 -0.211 8.580 1.00 0.00 N ATOM 0 H ARG X 137 -3.886 -3.303 5.032 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.449 -3.936 6.324 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.775 -3.664 3.352 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.377 -3.927 4.012 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.688 -1.426 4.371 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -7.069 -1.597 3.305 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.298 -0.801 5.024 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.123 -2.392 5.738 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.802 -0.700 6.257 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -9.058 -1.465 7.301 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -8.780 -0.886 8.947 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -5.469 0.037 8.335 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -6.772 -0.046 9.526 1.00 0.00 H new ATOM 457 N GLU X 138 -6.658 -6.317 5.513 1.00 0.00 N ATOM 458 CA GLU X 138 -6.709 -7.764 5.324 1.00 0.00 C ATOM 459 C GLU X 138 -6.420 -8.248 3.888 1.00 0.00 C ATOM 460 O GLU X 138 -6.970 -7.739 2.911 1.00 0.00 O ATOM 461 CB GLU X 138 -8.076 -8.276 5.825 1.00 0.00 C ATOM 462 CG GLU X 138 -9.329 -7.710 5.094 1.00 0.00 C ATOM 463 CD GLU X 138 -9.783 -6.317 5.586 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.106 -5.727 6.466 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.760 -5.814 5.001 1.00 0.00 O ATOM 0 H GLU X 138 -7.508 -5.937 5.928 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.894 -8.189 5.910 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.089 -9.362 5.737 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.162 -8.041 6.886 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.116 -7.653 4.026 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -10.154 -8.412 5.217 1.00 0.00 H new ATOM 472 N VAL X 139 -5.547 -9.240 3.762 1.00 0.00 N ATOM 473 CA VAL X 139 -5.188 -9.807 2.455 1.00 0.00 C ATOM 474 C VAL X 139 -5.919 -11.109 2.115 1.00 0.00 C ATOM 475 O VAL X 139 -5.589 -12.184 2.597 1.00 0.00 O ATOM 476 CB VAL X 139 -3.652 -10.037 2.284 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.932 -8.735 2.262 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.073 -10.884 3.380 1.00 0.00 C ATOM 0 H VAL X 139 -5.068 -9.675 4.551 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.516 -9.039 1.754 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.522 -10.562 1.338 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.863 -8.912 2.142 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.295 -8.132 1.430 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.109 -8.205 3.198 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.004 -11.013 3.214 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.234 -10.396 4.341 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.560 -11.859 3.382 1.00 0.00 H new ATOM 488 N LEU X 140 -6.938 -11.007 1.277 1.00 0.00 N ATOM 489 CA LEU X 140 -7.689 -12.194 0.861 1.00 0.00 C ATOM 490 C LEU X 140 -6.740 -13.174 0.139 1.00 0.00 C ATOM 491 O LEU X 140 -6.891 -14.388 0.221 1.00 0.00 O ATOM 492 CB LEU X 140 -8.892 -11.822 -0.033 1.00 0.00 C ATOM 493 CG LEU X 140 -8.714 -11.139 -1.406 1.00 0.00 C ATOM 494 CD1 LEU X 140 -10.092 -10.856 -1.949 1.00 0.00 C ATOM 495 CD2 LEU X 140 -7.937 -9.824 -1.391 1.00 0.00 C ATOM 0 H LEU X 140 -7.266 -10.130 0.873 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.095 -12.679 1.749 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.448 -12.743 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.534 -11.171 0.560 1.00 0.00 H new ATOM 0 HG LEU X 140 -8.125 -11.825 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -10.007 -10.372 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.640 -11.792 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -10.626 -10.199 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -7.870 -9.429 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.452 -9.104 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -6.934 -9.999 -1.003 1.00 0.00 H new ATOM 507 N ARG X 141 -5.764 -12.623 -0.576 1.00 0.00 N ATOM 508 CA ARG X 141 -4.771 -13.419 -1.312 1.00 0.00 C ATOM 509 C ARG X 141 -3.510 -13.624 -0.471 1.00 0.00 C ATOM 510 O ARG X 141 -3.300 -12.933 0.509 1.00 0.00 O ATOM 511 CB ARG X 141 -4.386 -12.693 -2.606 1.00 0.00 C ATOM 512 CG ARG X 141 -5.541 -12.525 -3.579 1.00 0.00 C ATOM 513 CD ARG X 141 -5.076 -11.833 -4.836 1.00 0.00 C ATOM 514 NE ARG X 141 -6.166 -11.639 -5.788 1.00 0.00 N ATOM 515 CZ ARG X 141 -6.018 -11.047 -6.959 1.00 0.00 C ATOM 516 NH1 ARG X 141 -4.847 -10.605 -7.332 1.00 0.00 N ATOM 517 NH2 ARG X 141 -7.043 -10.899 -7.754 1.00 0.00 N ATOM 0 H ARG X 141 -5.634 -11.615 -0.665 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.212 -14.390 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -3.987 -11.710 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.586 -13.246 -3.098 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -5.960 -13.500 -3.827 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -6.337 -11.946 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -4.643 -10.866 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -4.287 -12.422 -5.303 1.00 0.00 H new ATOM 0 HE ARG X 141 -7.093 -11.980 -5.534 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -4.040 -10.716 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -4.739 -10.149 -8.238 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -7.961 -11.241 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -6.925 -10.441 -8.658 1.00 0.00 H new ATOM 531 N GLN X 142 -2.665 -14.562 -0.873 1.00 0.00 N ATOM 532 CA GLN X 142 -1.407 -14.830 -0.175 1.00 0.00 C ATOM 533 C GLN X 142 -0.483 -13.621 -0.305 1.00 0.00 C ATOM 534 O GLN X 142 0.067 -13.355 -1.370 1.00 0.00 O ATOM 535 CB GLN X 142 -0.725 -16.075 -0.741 1.00 0.00 C ATOM 536 CG GLN X 142 -1.477 -17.366 -0.438 1.00 0.00 C ATOM 537 CD GLN X 142 -0.774 -18.580 -0.999 1.00 0.00 C ATOM 538 OE1 GLN X 142 -1.200 -19.166 -1.985 1.00 0.00 O ATOM 539 NE2 GLN X 142 0.320 -18.952 -0.386 1.00 0.00 N ATOM 0 H GLN X 142 -2.826 -15.157 -1.686 1.00 0.00 H new ATOM 0 HA GLN X 142 -1.623 -15.011 0.878 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -0.625 -15.966 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN X 142 0.283 -16.146 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.585 -17.477 0.641 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.482 -17.305 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN X 142 0.645 -18.439 0.434 1.00 0.00 H new ATOM 0 HE22 GLN X 142 0.848 -19.755 -0.728 1.00 0.00 H new ATOM 548 N ALA X 143 -0.343 -12.880 0.779 1.00 0.00 N ATOM 549 CA ALA X 143 0.490 -11.691 0.804 1.00 0.00 C ATOM 550 C ALA X 143 1.949 -11.893 0.388 1.00 0.00 C ATOM 551 O ALA X 143 2.651 -12.760 0.878 1.00 0.00 O ATOM 552 CB ALA X 143 0.418 -11.076 2.129 1.00 0.00 C ATOM 0 H ALA X 143 -0.803 -13.085 1.666 1.00 0.00 H new ATOM 0 HA ALA X 143 0.080 -11.033 0.038 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.043 -10.183 2.150 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.614 -10.802 2.347 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.772 -11.784 2.878 1.00 0.00 H new ATOM 558 N LEU X 144 2.373 -11.058 -0.536 1.00 0.00 N ATOM 559 CA LEU X 144 3.724 -11.048 -1.082 1.00 0.00 C ATOM 560 C LEU X 144 4.738 -10.446 -0.120 1.00 0.00 C ATOM 561 O LEU X 144 4.809 -9.233 0.006 1.00 0.00 O ATOM 562 CB LEU X 144 3.668 -10.208 -2.337 1.00 0.00 C ATOM 563 CG LEU X 144 3.027 -10.894 -3.550 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.026 -9.909 -4.668 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.747 -12.106 -4.051 1.00 0.00 C ATOM 0 H LEU X 144 1.772 -10.342 -0.945 1.00 0.00 H new ATOM 0 HA LEU X 144 4.047 -12.071 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.113 -9.295 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.682 -9.910 -2.602 1.00 0.00 H new ATOM 0 HG LEU X 144 2.039 -11.222 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.576 -10.362 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.450 -9.030 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.051 -9.614 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.215 -12.517 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.759 -11.831 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.793 -12.855 -3.260 1.00 0.00 H new ATOM 577 N ARG X 145 5.528 -11.279 0.544 1.00 0.00 N ATOM 578 CA ARG X 145 6.527 -10.789 1.505 1.00 0.00 C ATOM 579 C ARG X 145 7.922 -10.676 0.974 1.00 0.00 C ATOM 580 O ARG X 145 8.617 -11.675 0.869 1.00 0.00 O ATOM 581 CB ARG X 145 6.589 -11.696 2.752 1.00 0.00 C ATOM 582 CG ARG X 145 7.694 -11.282 3.795 1.00 0.00 C ATOM 583 CD ARG X 145 7.360 -9.986 4.525 1.00 0.00 C ATOM 584 NE ARG X 145 8.452 -9.510 5.375 1.00 0.00 N ATOM 585 CZ ARG X 145 8.360 -8.449 6.162 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.246 -7.777 6.232 1.00 0.00 N ATOM 587 NH2 ARG X 145 9.383 -8.065 6.873 1.00 0.00 N ATOM 0 H ARG X 145 5.503 -12.293 0.441 1.00 0.00 H new ATOM 0 HA ARG X 145 6.179 -9.784 1.743 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.617 -11.684 3.245 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.772 -12.722 2.433 1.00 0.00 H new ATOM 0 HG2 ARG X 145 7.818 -12.083 4.524 1.00 0.00 H new ATOM 0 HG3 ARG X 145 8.648 -11.169 3.281 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.115 -9.216 3.793 1.00 0.00 H new ATOM 0 HD3 ARG X 145 6.471 -10.139 5.137 1.00 0.00 H new ATOM 0 HE ARG X 145 9.333 -10.024 5.360 1.00 0.00 H new ATOM 0 HH11 ARG X 145 6.440 -8.067 5.679 1.00 0.00 H new ATOM 0 HH12 ARG X 145 7.180 -6.960 6.840 1.00 0.00 H new ATOM 0 HH21 ARG X 145 10.261 -8.583 6.825 1.00 0.00 H new ATOM 0 HH22 ARG X 145 9.306 -7.247 7.477 1.00 0.00 H new ATOM 601 N CYS X 146 8.381 -9.488 0.646 1.00 0.00 N ATOM 602 CA CYS X 146 9.760 -9.400 0.238 1.00 0.00 C ATOM 603 C CYS X 146 10.593 -9.471 1.528 1.00 0.00 C ATOM 604 O CYS X 146 10.811 -8.478 2.231 1.00 0.00 O ATOM 605 CB CYS X 146 10.054 -8.166 -0.560 1.00 0.00 C ATOM 606 SG CYS X 146 11.840 -7.966 -0.708 1.00 0.00 S ATOM 0 H CYS X 146 7.852 -8.616 0.652 1.00 0.00 H new ATOM 0 HA CYS X 146 10.010 -10.219 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.601 -8.242 -1.549 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.617 -7.293 -0.076 1.00 0.00 H new ATOM 0 HG CYS X 146 12.101 -6.890 -1.389 1.00 0.00 H new ATOM 611 N ALA X 147 11.012 -10.684 1.843 1.00 0.00 N ATOM 612 CA ALA X 147 11.796 -10.963 3.037 1.00 0.00 C ATOM 613 C ALA X 147 13.126 -10.216 3.036 1.00 0.00 C ATOM 614 O ALA X 147 13.749 -10.059 4.076 1.00 0.00 O ATOM 615 CB ALA X 147 12.037 -12.458 3.151 1.00 0.00 C ATOM 0 H ALA X 147 10.818 -11.509 1.275 1.00 0.00 H new ATOM 0 HA ALA X 147 11.228 -10.613 3.899 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.624 -12.665 4.046 1.00 0.00 H new ATOM 0 HB2 ALA X 147 11.081 -12.977 3.217 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.579 -12.807 2.272 1.00 0.00 H new ATOM 621 N ASN X 148 13.560 -9.769 1.866 1.00 0.00 N ATOM 622 CA ASN X 148 14.819 -9.045 1.754 1.00 0.00 C ATOM 623 C ASN X 148 14.913 -7.744 2.459 1.00 0.00 C ATOM 624 O ASN X 148 16.026 -7.266 2.711 1.00 0.00 O ATOM 625 CB ASN X 148 15.262 -8.855 0.295 1.00 0.00 C ATOM 626 CG ASN X 148 15.616 -10.139 -0.387 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.642 -11.196 0.226 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.883 -10.063 -1.665 1.00 0.00 N ATOM 0 H ASN X 148 13.062 -9.894 0.985 1.00 0.00 H new ATOM 0 HA ASN X 148 15.499 -9.714 2.281 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.462 -8.365 -0.260 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.123 -8.188 0.268 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.124 -10.906 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.850 -9.161 -2.140 1.00 0.00 H new ATOM 635 N CYS X 149 13.786 -7.165 2.802 1.00 0.00 N ATOM 636 CA CYS X 149 13.846 -5.900 3.451 1.00 0.00 C ATOM 637 C CYS X 149 12.589 -5.367 4.081 1.00 0.00 C ATOM 638 O CYS X 149 12.524 -5.064 5.269 1.00 0.00 O ATOM 639 CB CYS X 149 14.274 -4.903 2.343 1.00 0.00 C ATOM 640 SG CYS X 149 13.452 -5.147 0.746 1.00 0.00 S ATOM 0 H CYS X 149 12.852 -7.543 2.645 1.00 0.00 H new ATOM 0 HA CYS X 149 14.523 -6.022 4.296 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.073 -3.889 2.688 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.351 -4.983 2.198 1.00 0.00 H new ATOM 0 HG CYS X 149 13.030 -6.373 0.658 1.00 0.00 H new ATOM 645 N LYS X 150 11.628 -5.167 3.211 1.00 0.00 N ATOM 646 CA LYS X 150 10.392 -4.480 3.599 1.00 0.00 C ATOM 647 C LYS X 150 9.041 -5.065 4.033 1.00 0.00 C ATOM 648 O LYS X 150 8.831 -5.223 5.230 1.00 0.00 O ATOM 649 CB LYS X 150 10.247 -3.280 2.656 1.00 0.00 C ATOM 650 CG LYS X 150 10.246 -3.623 1.175 1.00 0.00 C ATOM 651 CD LYS X 150 10.166 -2.370 0.305 1.00 0.00 C ATOM 652 CE LYS X 150 11.514 -1.591 0.380 1.00 0.00 C ATOM 653 NZ LYS X 150 11.592 -0.365 -0.482 1.00 0.00 N ATOM 0 H LYS X 150 11.665 -5.462 2.235 1.00 0.00 H new ATOM 0 HA LYS X 150 10.626 -4.361 4.657 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.319 -2.760 2.894 1.00 0.00 H new ATOM 0 HB3 LYS X 150 11.062 -2.583 2.852 1.00 0.00 H new ATOM 0 HG2 LYS X 150 11.151 -4.179 0.930 1.00 0.00 H new ATOM 0 HG3 LYS X 150 9.401 -4.275 0.953 1.00 0.00 H new ATOM 0 HD2 LYS X 150 9.951 -2.646 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.348 -1.733 0.642 1.00 0.00 H new ATOM 0 HE2 LYS X 150 11.690 -1.299 1.415 1.00 0.00 H new ATOM 0 HE3 LYS X 150 12.322 -2.266 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.489 0.130 -0.301 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 11.545 -0.641 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 10.797 0.267 -0.259 1.00 0.00 H new ATOM 667 N PHE X 151 8.120 -5.345 3.123 1.00 0.00 N ATOM 668 CA PHE X 151 6.790 -5.811 3.531 1.00 0.00 C ATOM 669 C PHE X 151 6.088 -6.981 2.865 1.00 0.00 C ATOM 670 O PHE X 151 6.505 -7.472 1.817 1.00 0.00 O ATOM 671 CB PHE X 151 5.858 -4.607 3.359 1.00 0.00 C ATOM 672 CG PHE X 151 5.901 -3.970 1.996 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.370 -4.604 0.884 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.456 -2.712 1.836 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.401 -3.996 -0.349 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.477 -2.107 0.602 1.00 0.00 C ATOM 677 CZ PHE X 151 5.949 -2.755 -0.489 1.00 0.00 C ATOM 0 H PHE X 151 8.257 -5.262 2.116 1.00 0.00 H new ATOM 0 HA PHE X 151 6.987 -6.210 4.526 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.836 -4.923 3.565 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.116 -3.855 4.105 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.928 -5.584 0.987 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.877 -2.201 2.689 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.990 -4.503 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.908 -1.123 0.490 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.968 -2.281 -1.459 1.00 0.00 H new ATOM 687 N THR X 152 4.986 -7.396 3.494 1.00 0.00 N ATOM 688 CA THR X 152 4.124 -8.463 3.007 1.00 0.00 C ATOM 689 C THR X 152 2.829 -7.776 2.569 1.00 0.00 C ATOM 690 O THR X 152 2.012 -7.378 3.372 1.00 0.00 O ATOM 691 CB THR X 152 3.912 -9.558 4.082 1.00 0.00 C ATOM 692 OG1 THR X 152 3.185 -10.653 3.527 1.00 0.00 O ATOM 693 CG2 THR X 152 3.186 -9.102 5.309 1.00 0.00 C ATOM 0 H THR X 152 4.666 -6.989 4.373 1.00 0.00 H new ATOM 0 HA THR X 152 4.566 -9.000 2.168 1.00 0.00 H new ATOM 0 HB THR X 152 4.917 -9.844 4.391 1.00 0.00 H new ATOM 0 HG1 THR X 152 3.057 -11.342 4.212 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.085 -9.936 6.003 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.747 -8.299 5.786 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.196 -8.739 5.032 1.00 0.00 H new ATOM 701 N CYS X 153 2.687 -7.564 1.276 1.00 0.00 N ATOM 702 CA CYS X 153 1.528 -6.834 0.757 1.00 0.00 C ATOM 703 C CYS X 153 0.517 -7.611 -0.078 1.00 0.00 C ATOM 704 O CYS X 153 0.788 -8.729 -0.520 1.00 0.00 O ATOM 705 CB CYS X 153 2.079 -5.757 -0.179 1.00 0.00 C ATOM 706 SG CYS X 153 3.032 -6.443 -1.558 1.00 0.00 S ATOM 0 H CYS X 153 3.347 -7.879 0.565 1.00 0.00 H new ATOM 0 HA CYS X 153 0.990 -6.499 1.644 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.251 -5.167 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.712 -5.077 0.391 1.00 0.00 H new ATOM 0 HG CYS X 153 2.219 -6.861 -2.482 1.00 0.00 H new ATOM 712 N HIS X 154 -0.629 -6.990 -0.351 1.00 0.00 N ATOM 713 CA HIS X 154 -1.623 -7.625 -1.250 1.00 0.00 C ATOM 714 C HIS X 154 -0.872 -7.804 -2.570 1.00 0.00 C ATOM 715 O HIS X 154 -0.044 -6.951 -2.953 1.00 0.00 O ATOM 716 CB HIS X 154 -2.874 -6.786 -1.618 1.00 0.00 C ATOM 717 CG HIS X 154 -3.777 -6.434 -0.480 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.551 -5.363 0.383 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.951 -7.030 -0.086 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.583 -5.388 1.278 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.424 -6.371 1.003 1.00 0.00 N ATOM 0 H HIS X 154 -0.898 -6.078 0.017 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.992 -8.512 -0.735 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.542 -5.863 -2.093 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.453 -7.337 -2.360 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.777 -4.699 0.353 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.419 -7.879 -0.562 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.697 -4.697 2.100 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.276 -6.594 1.517 1.00 0.00 H new ATOM 729 N SER X 155 -1.168 -8.877 -3.292 1.00 0.00 N ATOM 730 CA SER X 155 -0.502 -9.103 -4.571 1.00 0.00 C ATOM 731 C SER X 155 -0.702 -7.852 -5.416 1.00 0.00 C ATOM 732 O SER X 155 0.216 -7.357 -6.040 1.00 0.00 O ATOM 733 CB SER X 155 -1.023 -10.364 -5.274 1.00 0.00 C ATOM 734 OG SER X 155 -2.411 -10.306 -5.575 1.00 0.00 O ATOM 0 H SER X 155 -1.847 -9.589 -3.024 1.00 0.00 H new ATOM 0 HA SER X 155 0.562 -9.281 -4.414 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.464 -10.514 -6.198 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.831 -11.230 -4.641 1.00 0.00 H new ATOM 0 HG SER X 155 -2.848 -9.661 -4.981 1.00 0.00 H new ATOM 740 N GLU X 156 -1.917 -7.338 -5.385 1.00 0.00 N ATOM 741 CA GLU X 156 -2.309 -6.138 -6.092 1.00 0.00 C ATOM 742 C GLU X 156 -1.459 -4.932 -5.658 1.00 0.00 C ATOM 743 O GLU X 156 -0.974 -4.154 -6.486 1.00 0.00 O ATOM 744 CB GLU X 156 -3.783 -5.843 -5.759 1.00 0.00 C ATOM 745 CG GLU X 156 -4.793 -6.912 -6.243 1.00 0.00 C ATOM 746 CD GLU X 156 -5.083 -8.034 -5.212 1.00 0.00 C ATOM 747 OE1 GLU X 156 -4.139 -8.490 -4.511 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.207 -8.562 -5.281 1.00 0.00 O ATOM 0 H GLU X 156 -2.679 -7.757 -4.851 1.00 0.00 H new ATOM 0 HA GLU X 156 -2.164 -6.296 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.881 -5.736 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -4.054 -4.884 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -5.731 -6.419 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.412 -7.366 -7.158 1.00 0.00 H new ATOM 755 N CYS X 157 -1.277 -4.796 -4.349 1.00 0.00 N ATOM 756 CA CYS X 157 -0.520 -3.705 -3.764 1.00 0.00 C ATOM 757 C CYS X 157 0.964 -3.690 -4.105 1.00 0.00 C ATOM 758 O CYS X 157 1.608 -2.651 -3.945 1.00 0.00 O ATOM 759 CB CYS X 157 -0.705 -3.712 -2.242 1.00 0.00 C ATOM 760 SG CYS X 157 -2.378 -3.328 -1.773 1.00 0.00 S ATOM 0 H CYS X 157 -1.656 -5.448 -3.662 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.924 -2.796 -4.209 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.434 -4.691 -1.848 1.00 0.00 H new ATOM 0 HB3 CYS X 157 -0.027 -2.988 -1.791 1.00 0.00 H new ATOM 0 HG CYS X 157 -2.369 -2.487 -0.782 1.00 0.00 H new ATOM 765 N ARG X 158 1.534 -4.808 -4.556 1.00 0.00 N ATOM 766 CA ARG X 158 2.986 -4.784 -4.873 1.00 0.00 C ATOM 767 C ARG X 158 3.268 -3.695 -5.908 1.00 0.00 C ATOM 768 O ARG X 158 4.363 -3.183 -5.974 1.00 0.00 O ATOM 769 CB ARG X 158 3.557 -6.082 -5.455 1.00 0.00 C ATOM 770 CG ARG X 158 3.166 -6.387 -6.916 1.00 0.00 C ATOM 771 CD ARG X 158 3.798 -7.674 -7.411 1.00 0.00 C ATOM 772 NE ARG X 158 5.261 -7.558 -7.467 1.00 0.00 N ATOM 773 CZ ARG X 158 5.932 -7.029 -8.479 1.00 0.00 C ATOM 774 NH1 ARG X 158 5.305 -6.573 -9.529 1.00 0.00 N ATOM 775 NH2 ARG X 158 7.235 -6.958 -8.435 1.00 0.00 N ATOM 0 H ARG X 158 1.059 -5.698 -4.708 1.00 0.00 H new ATOM 0 HA ARG X 158 3.466 -4.612 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG X 158 4.644 -6.041 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.232 -6.913 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG X 158 2.081 -6.461 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG X 158 3.476 -5.560 -7.555 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.520 -8.496 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG X 158 3.411 -7.915 -8.401 1.00 0.00 H new ATOM 0 HE ARG X 158 5.797 -7.909 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG X 158 4.287 -6.622 -9.576 1.00 0.00 H new ATOM 0 HH12 ARG X 158 5.833 -6.168 -10.302 1.00 0.00 H new ATOM 0 HH21 ARG X 158 7.738 -7.310 -7.620 1.00 0.00 H new ATOM 0 HH22 ARG X 158 7.750 -6.550 -9.215 1.00 0.00 H new ATOM 789 N SER X 159 2.279 -3.378 -6.731 1.00 0.00 N ATOM 790 CA SER X 159 2.420 -2.368 -7.786 1.00 0.00 C ATOM 791 C SER X 159 2.919 -1.027 -7.261 1.00 0.00 C ATOM 792 O SER X 159 3.672 -0.331 -7.928 1.00 0.00 O ATOM 793 CB SER X 159 1.075 -2.148 -8.479 1.00 0.00 C ATOM 794 OG SER X 159 1.194 -1.184 -9.512 1.00 0.00 O ATOM 0 H SER X 159 1.355 -3.809 -6.692 1.00 0.00 H new ATOM 0 HA SER X 159 3.163 -2.752 -8.485 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.716 -3.090 -8.894 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.335 -1.818 -7.750 1.00 0.00 H new ATOM 0 HG SER X 159 0.323 -1.058 -9.944 1.00 0.00 H new ATOM 800 N LEU X 160 2.455 -0.653 -6.080 1.00 0.00 N ATOM 801 CA LEU X 160 2.810 0.618 -5.447 1.00 0.00 C ATOM 802 C LEU X 160 4.275 0.757 -5.014 1.00 0.00 C ATOM 803 O LEU X 160 4.672 1.800 -4.502 1.00 0.00 O ATOM 804 CB LEU X 160 1.935 0.789 -4.198 1.00 0.00 C ATOM 805 CG LEU X 160 0.417 0.772 -4.418 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.268 1.041 -3.105 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.009 1.812 -5.431 1.00 0.00 C ATOM 0 H LEU X 160 1.817 -1.223 -5.525 1.00 0.00 H new ATOM 0 HA LEU X 160 2.647 1.382 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.187 -0.004 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU X 160 2.200 1.733 -3.722 1.00 0.00 H new ATOM 0 HG LEU X 160 0.135 -0.207 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.348 1.031 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU X 160 0.009 0.270 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU X 160 0.039 2.017 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.090 1.771 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.277 2.803 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.479 1.612 -6.385 1.00 0.00 H new ATOM 819 N ILE X 161 5.087 -0.276 -5.190 1.00 0.00 N ATOM 820 CA ILE X 161 6.484 -0.178 -4.751 1.00 0.00 C ATOM 821 C ILE X 161 7.432 0.606 -5.686 1.00 0.00 C ATOM 822 O ILE X 161 7.927 0.114 -6.692 1.00 0.00 O ATOM 823 CB ILE X 161 7.060 -1.574 -4.363 1.00 0.00 C ATOM 824 CG1 ILE X 161 8.416 -1.415 -3.681 1.00 0.00 C ATOM 825 CG2 ILE X 161 7.269 -2.489 -5.584 1.00 0.00 C ATOM 826 CD1 ILE X 161 8.379 -0.547 -2.434 1.00 0.00 C ATOM 0 H ILE X 161 4.823 -1.164 -5.617 1.00 0.00 H new ATOM 0 HA ILE X 161 6.442 0.443 -3.856 1.00 0.00 H new ATOM 0 HB ILE X 161 6.327 -2.028 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.796 -2.401 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE X 161 9.121 -0.984 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE X 161 7.672 -3.447 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE X 161 6.315 -2.649 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE X 161 7.969 -2.019 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE X 161 9.379 -0.482 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE X 161 8.031 0.452 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.700 -0.988 -1.704 1.00 0.00 H new ATOM 838 N GLN X 162 7.696 1.849 -5.315 1.00 0.00 N ATOM 839 CA GLN X 162 8.586 2.723 -6.085 1.00 0.00 C ATOM 840 C GLN X 162 10.074 2.570 -5.702 1.00 0.00 C ATOM 841 O GLN X 162 10.899 3.391 -6.081 1.00 0.00 O ATOM 842 CB GLN X 162 8.151 4.179 -5.896 1.00 0.00 C ATOM 843 CG GLN X 162 6.775 4.475 -6.486 1.00 0.00 C ATOM 844 CD GLN X 162 6.374 5.919 -6.300 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.317 6.421 -5.191 1.00 0.00 O ATOM 846 NE2 GLN X 162 6.105 6.597 -7.388 1.00 0.00 N ATOM 0 H GLN X 162 7.306 2.284 -4.479 1.00 0.00 H new ATOM 0 HA GLN X 162 8.502 2.425 -7.130 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.141 4.414 -4.832 1.00 0.00 H new ATOM 0 HB3 GLN X 162 8.887 4.835 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.778 4.234 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.033 3.830 -6.015 1.00 0.00 H new ATOM 0 HE21 GLN X 162 6.163 6.143 -8.299 1.00 0.00 H new ATOM 0 HE22 GLN X 162 5.837 7.579 -7.324 1.00 0.00 H new ATOM 855 N LEU X 163 10.416 1.526 -4.954 1.00 0.00 N ATOM 856 CA LEU X 163 11.808 1.308 -4.526 1.00 0.00 C ATOM 857 C LEU X 163 12.109 -0.161 -4.197 1.00 0.00 C ATOM 858 O LEU X 163 11.506 -0.736 -3.291 1.00 0.00 O ATOM 859 CB LEU X 163 12.099 2.176 -3.292 1.00 0.00 C ATOM 860 CG LEU X 163 13.490 2.035 -2.656 1.00 0.00 C ATOM 861 CD1 LEU X 163 14.587 2.393 -3.631 1.00 0.00 C ATOM 862 CD2 LEU X 163 13.569 2.951 -1.458 1.00 0.00 C ATOM 0 H LEU X 163 9.758 0.817 -4.629 1.00 0.00 H new ATOM 0 HA LEU X 163 12.451 1.588 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU X 163 11.958 3.220 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU X 163 11.353 1.945 -2.531 1.00 0.00 H new ATOM 0 HG LEU X 163 13.631 0.995 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU X 163 15.556 2.281 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU X 163 14.536 1.731 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU X 163 14.461 3.426 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU X 163 14.552 2.861 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU X 163 13.410 3.981 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU X 163 12.802 2.672 -0.736 1.00 0.00 H new ATOM 874 N ASP X 164 13.023 -0.751 -4.956 1.00 0.00 N ATOM 875 CA ASP X 164 13.442 -2.159 -4.804 1.00 0.00 C ATOM 876 C ASP X 164 14.216 -2.383 -3.494 1.00 0.00 C ATOM 877 O ASP X 164 14.291 -1.478 -2.658 1.00 0.00 O ATOM 878 CB ASP X 164 14.216 -2.608 -6.057 1.00 0.00 C ATOM 879 CG ASP X 164 14.426 -4.119 -6.116 1.00 0.00 C ATOM 880 OD1 ASP X 164 13.555 -4.826 -5.548 1.00 0.00 O ATOM 881 OD2 ASP X 164 15.254 -4.548 -6.931 1.00 0.00 O ATOM 0 H ASP X 164 13.509 -0.266 -5.710 1.00 0.00 H new ATOM 0 HA ASP X 164 12.558 -2.791 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP X 164 13.675 -2.287 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP X 164 15.186 -2.110 -6.077 1.00 0.00 H new ATOM 886 N CYS X 165 14.716 -3.596 -3.273 1.00 0.00 N ATOM 887 CA CYS X 165 15.435 -3.920 -2.060 1.00 0.00 C ATOM 888 C CYS X 165 16.527 -2.890 -1.753 1.00 0.00 C ATOM 889 O CYS X 165 17.445 -2.643 -2.534 1.00 0.00 O ATOM 890 CB CYS X 165 16.066 -5.310 -2.184 1.00 0.00 C ATOM 891 SG CYS X 165 14.954 -6.683 -2.295 1.00 0.00 S ATOM 0 H CYS X 165 14.631 -4.372 -3.929 1.00 0.00 H new ATOM 0 HA CYS X 165 14.718 -3.907 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.703 -5.316 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.715 -5.467 -1.322 1.00 0.00 H new ATOM 0 HG CYS X 165 13.732 -6.247 -2.367 1.00 0.00 H new ATOM 896 N ARG X 166 16.361 -2.305 -0.581 1.00 0.00 N ATOM 897 CA ARG X 166 17.283 -1.288 -0.048 1.00 0.00 C ATOM 898 C ARG X 166 18.715 -1.800 0.176 1.00 0.00 C ATOM 899 O ARG X 166 19.454 -1.027 0.812 1.00 0.00 O ATOM 900 CB ARG X 166 16.684 -0.614 1.221 1.00 0.00 C ATOM 901 CG ARG X 166 16.336 -1.501 2.482 1.00 0.00 C ATOM 902 CD ARG X 166 17.545 -1.948 3.347 1.00 0.00 C ATOM 903 NE ARG X 166 18.281 -3.026 2.708 1.00 0.00 N ATOM 904 CZ ARG X 166 18.077 -4.312 2.902 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.190 -4.729 3.758 1.00 0.00 N ATOM 906 NH2 ARG X 166 18.769 -5.178 2.226 1.00 0.00 N ATOM 907 OXT ARG X 166 18.905 -3.030 0.057 1.00 0.00 O ATOM 0 H ARG X 166 15.581 -2.516 0.041 1.00 0.00 H new ATOM 0 HA ARG X 166 17.385 -0.526 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG X 166 17.386 0.154 1.545 1.00 0.00 H new ATOM 0 HB3 ARG X 166 15.770 -0.103 0.919 1.00 0.00 H new ATOM 0 HG2 ARG X 166 15.646 -0.944 3.116 1.00 0.00 H new ATOM 0 HG3 ARG X 166 15.808 -2.392 2.142 1.00 0.00 H new ATOM 0 HD2 ARG X 166 18.209 -1.100 3.513 1.00 0.00 H new ATOM 0 HD3 ARG X 166 17.194 -2.275 4.326 1.00 0.00 H new ATOM 0 HE ARG X 166 19.018 -2.764 2.054 1.00 0.00 H new ATOM 0 HH11 ARG X 166 16.640 -4.056 4.291 1.00 0.00 H new ATOM 0 HH12 ARG X 166 17.045 -5.729 3.896 1.00 0.00 H new ATOM 0 HH21 ARG X 166 19.464 -4.860 1.551 1.00 0.00 H new ATOM 0 HH22 ARG X 166 18.617 -6.176 2.370 1.00 0.00 H new