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= 0.272 USER MOD Set 1.2: X 135 CYS SG : rot 157:sc= 3.07 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -1.96 K(o=1.5,f=-11!) USER MOD Set 1.4: X 157 CYS SG : rot -133:sc= 0.116 USER MOD Set 2.1: X 118 HIS : +bothHN:sc= -2.38 K(o=-4,f=-14!) USER MOD Set 2.2: X 146 CYS SG : rot -113:sc= 0.35 USER MOD Set 2.3: X 148 ASN : amide:sc= -0.0493 K(o=-4,f=-5.8) USER MOD Set 2.4: X 149 CYS SG : rot -113:sc= -1.91 USER MOD Set 2.5: X 165 CYS SG : rot 140:sc= -0.029 USER MOD Single : X 142 GLN : amide:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : X 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 152 THR OG1 : rot -150:sc= -0.172 USER MOD Single : X 153 CYS SG : rot 78:sc= 0.0741 USER MOD Single : X 155 SER OG : rot 180:sc= -0.0197 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc= 0.327 K(o=0.33,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 12.784 -7.056 -5.357 1.00 0.00 N ATOM 153 CA HIS X 118 11.922 -7.654 -4.334 1.00 0.00 C ATOM 154 C HIS X 118 11.513 -9.084 -4.646 1.00 0.00 C ATOM 155 O HIS X 118 10.733 -9.327 -5.565 1.00 0.00 O ATOM 156 CB HIS X 118 10.633 -6.885 -4.128 1.00 0.00 C ATOM 157 CG HIS X 118 10.801 -5.531 -3.529 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.632 -5.270 -2.439 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.179 -4.357 -3.853 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.488 -3.949 -2.180 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.615 -3.399 -3.008 1.00 0.00 N ATOM 0 HA HIS X 118 12.542 -7.624 -3.438 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.131 -6.781 -5.090 1.00 0.00 H new ATOM 0 HB3 HIS X 118 9.975 -7.471 -3.486 1.00 0.00 H new ATOM 0 HD1 HIS X 118 12.224 -5.935 -1.941 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.462 -4.220 -4.649 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.015 -3.416 -1.402 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.323 -2.422 -3.008 1.00 0.00 H new ATOM 169 N ARG X 119 12.000 -10.036 -3.862 1.00 0.00 N ATOM 170 CA ARG X 119 11.626 -11.431 -4.079 1.00 0.00 C ATOM 171 C ARG X 119 10.139 -11.668 -3.877 1.00 0.00 C ATOM 172 O ARG X 119 9.545 -12.475 -4.588 1.00 0.00 O ATOM 173 CB ARG X 119 12.472 -12.393 -3.254 1.00 0.00 C ATOM 174 CG ARG X 119 12.379 -12.291 -1.747 1.00 0.00 C ATOM 175 CD ARG X 119 13.337 -13.347 -1.223 1.00 0.00 C ATOM 176 NE ARG X 119 13.454 -13.446 0.226 1.00 0.00 N ATOM 177 CZ ARG X 119 14.273 -14.300 0.813 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.000 -15.100 0.083 1.00 0.00 N ATOM 179 NH2 ARG X 119 14.365 -14.357 2.114 1.00 0.00 N ATOM 0 H ARG X 119 12.642 -9.876 -3.085 1.00 0.00 H new ATOM 0 HA ARG X 119 11.839 -11.645 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.200 -13.409 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.515 -12.251 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.660 -11.296 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.362 -12.474 -1.401 1.00 0.00 H new ATOM 0 HD2 ARG X 119 13.022 -14.317 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG X 119 14.326 -13.146 -1.634 1.00 0.00 H new ATOM 0 HE ARG X 119 12.883 -12.834 0.808 1.00 0.00 H new ATOM 0 HH11 ARG X 119 14.934 -15.063 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.635 -15.762 0.529 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.799 -13.736 2.693 1.00 0.00 H new ATOM 0 HH22 ARG X 119 15.002 -15.022 2.552 1.00 0.00 H new ATOM 193 N PHE X 120 9.543 -10.984 -2.901 1.00 0.00 N ATOM 194 CA PHE X 120 8.114 -11.120 -2.634 1.00 0.00 C ATOM 195 C PHE X 120 7.696 -12.562 -2.396 1.00 0.00 C ATOM 196 O PHE X 120 6.873 -13.118 -3.123 1.00 0.00 O ATOM 197 CB PHE X 120 7.254 -10.502 -3.738 1.00 0.00 C ATOM 198 CG PHE X 120 7.249 -8.995 -3.752 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.843 -8.280 -2.633 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.591 -8.296 -4.895 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.804 -6.901 -2.648 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.539 -6.911 -4.914 1.00 0.00 C ATOM 203 CZ PHE X 120 7.157 -6.217 -3.785 1.00 0.00 C ATOM 0 H PHE X 120 10.027 -10.332 -2.284 1.00 0.00 H new ATOM 0 HA PHE X 120 7.940 -10.564 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.610 -10.861 -4.703 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.229 -10.856 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.554 -8.811 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE X 120 7.901 -8.833 -5.779 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.496 -6.360 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE X 120 7.798 -6.374 -5.815 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.136 -5.137 -3.795 1.00 0.00 H new ATOM 213 N VAL X 121 8.280 -13.185 -1.393 1.00 0.00 N ATOM 214 CA VAL X 121 7.923 -14.580 -1.092 1.00 0.00 C ATOM 215 C VAL X 121 6.483 -14.725 -0.566 1.00 0.00 C ATOM 216 O VAL X 121 6.191 -14.516 0.604 1.00 0.00 O ATOM 217 CB VAL X 121 8.963 -15.340 -0.203 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.198 -15.657 -1.028 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.398 -14.540 1.007 1.00 0.00 C ATOM 0 H VAL X 121 8.985 -12.774 -0.781 1.00 0.00 H new ATOM 0 HA VAL X 121 7.961 -15.085 -2.057 1.00 0.00 H new ATOM 0 HB VAL X 121 8.472 -16.247 0.149 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.923 -16.186 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.919 -16.283 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.640 -14.730 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.119 -15.118 1.585 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.859 -13.608 0.680 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.530 -14.318 1.628 1.00 0.00 H new ATOM 229 N GLU X 122 5.593 -15.056 -1.492 1.00 0.00 N ATOM 230 CA GLU X 122 4.162 -15.255 -1.251 1.00 0.00 C ATOM 231 C GLU X 122 3.894 -16.234 -0.103 1.00 0.00 C ATOM 232 O GLU X 122 4.180 -17.428 -0.210 1.00 0.00 O ATOM 233 CB GLU X 122 3.580 -15.830 -2.546 1.00 0.00 C ATOM 234 CG GLU X 122 2.096 -16.108 -2.541 1.00 0.00 C ATOM 235 CD GLU X 122 1.632 -16.662 -3.884 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.508 -16.794 -4.775 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.446 -17.012 -4.003 1.00 0.00 O ATOM 0 H GLU X 122 5.853 -15.199 -2.468 1.00 0.00 H new ATOM 0 HA GLU X 122 3.706 -14.306 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.796 -15.135 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.102 -16.759 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU X 122 1.860 -16.820 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.553 -15.190 -2.316 1.00 0.00 H new ATOM 244 N LEU X 123 3.363 -15.732 1.003 1.00 0.00 N ATOM 245 CA LEU X 123 3.070 -16.586 2.145 1.00 0.00 C ATOM 246 C LEU X 123 1.842 -17.497 1.964 1.00 0.00 C ATOM 247 O LEU X 123 0.723 -17.055 1.752 1.00 0.00 O ATOM 248 CB LEU X 123 3.110 -15.780 3.465 1.00 0.00 C ATOM 249 CG LEU X 123 2.238 -14.542 3.749 1.00 0.00 C ATOM 250 CD1 LEU X 123 0.769 -14.772 3.690 1.00 0.00 C ATOM 251 CD2 LEU X 123 2.593 -14.049 5.135 1.00 0.00 C ATOM 0 H LEU X 123 3.128 -14.748 1.134 1.00 0.00 H new ATOM 0 HA LEU X 123 3.877 -17.316 2.214 1.00 0.00 H new ATOM 0 HB2 LEU X 123 2.895 -16.492 4.262 1.00 0.00 H new ATOM 0 HB3 LEU X 123 4.144 -15.459 3.594 1.00 0.00 H new ATOM 0 HG LEU X 123 2.451 -13.821 2.960 1.00 0.00 H new ATOM 0 HD11 LEU X 123 0.246 -13.840 3.904 1.00 0.00 H new ATOM 0 HD12 LEU X 123 0.495 -15.121 2.694 1.00 0.00 H new ATOM 0 HD13 LEU X 123 0.488 -15.524 4.428 1.00 0.00 H new ATOM 0 HD21 LEU X 123 1.994 -13.170 5.373 1.00 0.00 H new ATOM 0 HD22 LEU X 123 2.391 -14.834 5.863 1.00 0.00 H new ATOM 0 HD23 LEU X 123 3.651 -13.787 5.168 1.00 0.00 H new ATOM 330 N PRO X 129 -7.411 -14.612 8.336 1.00 0.00 N ATOM 331 CA PRO X 129 -6.889 -13.342 7.821 1.00 0.00 C ATOM 332 C PRO X 129 -5.371 -13.223 7.822 1.00 0.00 C ATOM 333 O PRO X 129 -4.664 -13.910 8.562 1.00 0.00 O ATOM 334 CB PRO X 129 -7.457 -12.318 8.816 1.00 0.00 C ATOM 335 CG PRO X 129 -7.599 -13.090 10.076 1.00 0.00 C ATOM 336 CD PRO X 129 -8.123 -14.417 9.611 1.00 0.00 C ATOM 0 HA PRO X 129 -7.173 -13.215 6.776 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.787 -11.468 8.941 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.415 -11.922 8.479 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.646 -13.193 10.594 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.287 -12.606 10.769 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.904 -15.212 10.324 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.204 -14.401 9.474 1.00 0.00 H new ATOM 344 N GLY X 130 -4.886 -12.311 6.999 1.00 0.00 N ATOM 345 CA GLY X 130 -3.473 -12.027 6.899 1.00 0.00 C ATOM 346 C GLY X 130 -3.569 -10.537 6.709 1.00 0.00 C ATOM 347 O GLY X 130 -4.660 -10.081 6.384 1.00 0.00 O ATOM 0 H GLY X 130 -5.467 -11.746 6.380 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.919 -12.306 7.795 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.996 -12.533 6.059 1.00 0.00 H new ATOM 351 N TRP X 131 -2.506 -9.778 6.896 1.00 0.00 N ATOM 352 CA TRP X 131 -2.586 -8.325 6.755 1.00 0.00 C ATOM 353 C TRP X 131 -1.486 -7.732 5.874 1.00 0.00 C ATOM 354 O TRP X 131 -0.331 -8.122 5.990 1.00 0.00 O ATOM 355 CB TRP X 131 -2.529 -7.756 8.177 1.00 0.00 C ATOM 356 CG TRP X 131 -3.722 -8.260 8.977 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.799 -9.395 9.738 1.00 0.00 C ATOM 358 CD2 TRP X 131 -5.018 -7.645 9.074 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.051 -9.532 10.273 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.822 -8.474 9.886 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.575 -6.481 8.558 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -7.149 -8.172 10.174 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.889 -6.169 8.849 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.668 -7.017 9.648 1.00 0.00 C ATOM 0 H TRP X 131 -1.582 -10.133 7.144 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.511 -8.057 6.244 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.600 -8.056 8.662 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.535 -6.667 8.144 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.984 -10.087 9.895 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.359 -10.302 10.867 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.985 -5.825 7.934 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.750 -8.825 10.790 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.321 -5.261 8.456 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.696 -6.756 9.853 1.00 0.00 H new ATOM 375 N CYS X 132 -1.853 -6.811 4.988 1.00 0.00 N ATOM 376 CA CYS X 132 -0.892 -6.145 4.113 1.00 0.00 C ATOM 377 C CYS X 132 -0.242 -5.135 5.045 1.00 0.00 C ATOM 378 O CYS X 132 -0.868 -4.130 5.344 1.00 0.00 O ATOM 379 CB CYS X 132 -1.642 -5.461 2.963 1.00 0.00 C ATOM 380 SG CYS X 132 -0.646 -4.498 1.795 1.00 0.00 S ATOM 0 H CYS X 132 -2.818 -6.507 4.856 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.164 -6.807 3.645 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.176 -6.228 2.402 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.394 -4.800 3.394 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.298 -3.428 1.448 1.00 0.00 H new ATOM 385 N ASP X 133 0.991 -5.381 5.477 1.00 0.00 N ATOM 386 CA ASP X 133 1.684 -4.488 6.434 1.00 0.00 C ATOM 387 C ASP X 133 1.587 -3.058 5.919 1.00 0.00 C ATOM 388 O ASP X 133 1.349 -2.113 6.659 1.00 0.00 O ATOM 389 CB ASP X 133 3.165 -4.850 6.527 1.00 0.00 C ATOM 390 CG ASP X 133 3.412 -6.308 6.933 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.602 -6.862 7.694 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.499 -6.827 6.550 1.00 0.00 O ATOM 0 H ASP X 133 1.541 -6.189 5.186 1.00 0.00 H new ATOM 0 HA ASP X 133 1.219 -4.593 7.414 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.638 -4.664 5.563 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.647 -4.193 7.250 1.00 0.00 H new ATOM 397 N LEU X 134 1.770 -2.942 4.617 1.00 0.00 N ATOM 398 CA LEU X 134 1.683 -1.684 3.897 1.00 0.00 C ATOM 399 C LEU X 134 0.313 -0.981 4.032 1.00 0.00 C ATOM 400 O LEU X 134 0.244 0.200 4.356 1.00 0.00 O ATOM 401 CB LEU X 134 1.973 -1.997 2.428 1.00 0.00 C ATOM 402 CG LEU X 134 1.512 -0.991 1.379 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.191 0.349 1.525 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.807 -1.571 0.023 1.00 0.00 C ATOM 0 H LEU X 134 1.988 -3.737 4.017 1.00 0.00 H new ATOM 0 HA LEU X 134 2.404 -0.987 4.324 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.050 -2.123 2.319 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.514 -2.958 2.194 1.00 0.00 H new ATOM 0 HG LEU X 134 0.445 -0.814 1.511 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.827 1.027 0.754 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.969 0.764 2.508 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.269 0.224 1.419 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.487 -0.872 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.878 -1.750 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.270 -2.512 -0.095 1.00 0.00 H new ATOM 416 N CYS X 135 -0.764 -1.703 3.743 1.00 0.00 N ATOM 417 CA CYS X 135 -2.114 -1.130 3.805 1.00 0.00 C ATOM 418 C CYS X 135 -2.777 -1.077 5.182 1.00 0.00 C ATOM 419 O CYS X 135 -3.620 -0.225 5.451 1.00 0.00 O ATOM 420 CB CYS X 135 -3.052 -1.957 2.911 1.00 0.00 C ATOM 421 SG CYS X 135 -2.826 -1.730 1.170 1.00 0.00 S ATOM 0 H CYS X 135 -0.735 -2.684 3.464 1.00 0.00 H new ATOM 0 HA CYS X 135 -1.971 -0.098 3.485 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.914 -3.013 3.145 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.083 -1.707 3.163 1.00 0.00 H new ATOM 0 HG CYS X 135 -3.281 -2.768 0.534 1.00 0.00 H new ATOM 426 N GLY X 136 -2.444 -2.046 6.013 1.00 0.00 N ATOM 427 CA GLY X 136 -3.045 -2.171 7.329 1.00 0.00 C ATOM 428 C GLY X 136 -4.340 -2.951 7.162 1.00 0.00 C ATOM 429 O GLY X 136 -5.006 -3.305 8.124 1.00 0.00 O ATOM 0 H GLY X 136 -1.754 -2.765 5.798 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.371 -2.687 8.012 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.241 -1.188 7.757 1.00 0.00 H new ATOM 433 N ARG X 137 -4.688 -3.212 5.903 1.00 0.00 N ATOM 434 CA ARG X 137 -5.901 -3.937 5.526 1.00 0.00 C ATOM 435 C ARG X 137 -5.667 -5.416 5.239 1.00 0.00 C ATOM 436 O ARG X 137 -4.612 -5.815 4.746 1.00 0.00 O ATOM 437 CB ARG X 137 -6.471 -3.281 4.280 1.00 0.00 C ATOM 438 CG ARG X 137 -6.896 -1.848 4.529 1.00 0.00 C ATOM 439 CD ARG X 137 -7.378 -1.202 3.266 1.00 0.00 C ATOM 440 NE ARG X 137 -6.308 -0.995 2.287 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.491 -0.472 1.090 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.685 -0.111 0.707 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.479 -0.313 0.284 1.00 0.00 N ATOM 0 H ARG X 137 -4.126 -2.921 5.103 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.586 -3.889 6.372 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.725 -3.304 3.486 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.328 -3.856 3.929 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.687 -1.825 5.278 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.057 -1.282 4.934 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.156 -1.822 2.821 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.834 -0.242 3.506 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.362 -1.273 2.547 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.480 -0.233 1.334 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -7.823 0.293 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.544 -0.593 0.579 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.623 0.092 -0.641 1.00 0.00 H new ATOM 457 N GLU X 138 -6.678 -6.209 5.536 1.00 0.00 N ATOM 458 CA GLU X 138 -6.678 -7.655 5.334 1.00 0.00 C ATOM 459 C GLU X 138 -6.338 -8.124 3.907 1.00 0.00 C ATOM 460 O GLU X 138 -6.880 -7.630 2.917 1.00 0.00 O ATOM 461 CB GLU X 138 -8.047 -8.218 5.773 1.00 0.00 C ATOM 462 CG GLU X 138 -9.277 -7.715 4.965 1.00 0.00 C ATOM 463 CD GLU X 138 -9.650 -6.251 5.242 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.265 -5.737 6.319 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.130 -5.608 4.286 1.00 0.00 O ATOM 0 H GLU X 138 -7.549 -5.861 5.936 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.867 -8.046 5.948 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.011 -9.305 5.704 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.200 -7.971 6.823 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.072 -7.832 3.901 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -10.134 -8.348 5.196 1.00 0.00 H new ATOM 472 N VAL X 139 -5.441 -9.092 3.797 1.00 0.00 N ATOM 473 CA VAL X 139 -5.063 -9.638 2.492 1.00 0.00 C ATOM 474 C VAL X 139 -5.941 -10.822 2.106 1.00 0.00 C ATOM 475 O VAL X 139 -5.753 -11.938 2.561 1.00 0.00 O ATOM 476 CB VAL X 139 -3.561 -10.044 2.398 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.708 -8.817 2.378 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.121 -10.908 3.558 1.00 0.00 C ATOM 0 H VAL X 139 -4.960 -9.518 4.589 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.221 -8.824 1.785 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.446 -10.619 1.479 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.659 -9.104 2.312 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -2.971 -8.205 1.515 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.871 -8.246 3.292 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.067 -11.162 3.443 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.263 -10.364 4.492 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.715 -11.822 3.577 1.00 0.00 H new ATOM 488 N LEU X 140 -6.924 -10.566 1.258 1.00 0.00 N ATOM 489 CA LEU X 140 -7.818 -11.630 0.806 1.00 0.00 C ATOM 490 C LEU X 140 -7.011 -12.713 0.067 1.00 0.00 C ATOM 491 O LEU X 140 -7.333 -13.894 0.127 1.00 0.00 O ATOM 492 CB LEU X 140 -8.962 -11.081 -0.073 1.00 0.00 C ATOM 493 CG LEU X 140 -8.697 -10.383 -1.422 1.00 0.00 C ATOM 494 CD1 LEU X 140 -10.026 -9.906 -1.949 1.00 0.00 C ATOM 495 CD2 LEU X 140 -7.755 -9.181 -1.365 1.00 0.00 C ATOM 0 H LEU X 140 -7.125 -9.644 0.870 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.285 -12.080 1.682 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.629 -11.918 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.519 -10.374 0.542 1.00 0.00 H new ATOM 0 HG LEU X 140 -8.203 -11.118 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -9.879 -9.405 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.691 -10.759 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -10.470 -9.209 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -7.636 -8.764 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.173 -8.423 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -6.783 -9.498 -0.986 1.00 0.00 H new ATOM 507 N ARG X 141 -5.963 -12.296 -0.639 1.00 0.00 N ATOM 508 CA ARG X 141 -5.108 -13.236 -1.378 1.00 0.00 C ATOM 509 C ARG X 141 -3.871 -13.592 -0.542 1.00 0.00 C ATOM 510 O ARG X 141 -3.751 -13.199 0.605 1.00 0.00 O ATOM 511 CB ARG X 141 -4.663 -12.600 -2.706 1.00 0.00 C ATOM 512 CG ARG X 141 -5.825 -12.283 -3.639 1.00 0.00 C ATOM 513 CD ARG X 141 -5.333 -11.753 -4.981 1.00 0.00 C ATOM 514 NE ARG X 141 -6.446 -11.376 -5.860 1.00 0.00 N ATOM 515 CZ ARG X 141 -7.127 -12.224 -6.615 1.00 0.00 C ATOM 516 NH1 ARG X 141 -6.840 -13.499 -6.614 1.00 0.00 N ATOM 517 NH2 ARG X 141 -8.096 -11.788 -7.373 1.00 0.00 N ATOM 0 H ARG X 141 -5.682 -11.319 -0.718 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.676 -14.144 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -4.114 -11.682 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.973 -13.276 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -6.422 -13.181 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -6.478 -11.545 -3.172 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -4.691 -10.888 -4.817 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -4.725 -12.513 -5.471 1.00 0.00 H new ATOM 0 HE ARG X 141 -6.714 -10.392 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -6.084 -13.851 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -7.372 -14.142 -7.200 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -8.328 -10.795 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -8.621 -12.440 -7.955 1.00 0.00 H new ATOM 531 N GLN X 142 -2.934 -14.299 -1.145 1.00 0.00 N ATOM 532 CA GLN X 142 -1.695 -14.687 -0.478 1.00 0.00 C ATOM 533 C GLN X 142 -0.719 -13.514 -0.557 1.00 0.00 C ATOM 534 O GLN X 142 -0.283 -13.112 -1.633 1.00 0.00 O ATOM 535 CB GLN X 142 -1.128 -15.943 -1.133 1.00 0.00 C ATOM 536 CG GLN X 142 -1.956 -17.212 -0.871 1.00 0.00 C ATOM 537 CD GLN X 142 -3.350 -17.161 -1.478 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.530 -16.871 -2.655 1.00 0.00 O ATOM 539 NE2 GLN X 142 -4.345 -17.422 -0.666 1.00 0.00 N ATOM 0 H GLN X 142 -3.005 -14.623 -2.110 1.00 0.00 H new ATOM 0 HA GLN X 142 -1.876 -14.922 0.571 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.061 -15.781 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.112 -16.103 -0.771 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -1.424 -18.074 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.042 -17.365 0.205 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -4.159 -17.660 0.308 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -5.305 -17.387 -1.008 1.00 0.00 H new ATOM 548 N ALA X 143 -0.422 -12.938 0.594 1.00 0.00 N ATOM 549 CA ALA X 143 0.469 -11.792 0.688 1.00 0.00 C ATOM 550 C ALA X 143 1.911 -12.029 0.221 1.00 0.00 C ATOM 551 O ALA X 143 2.569 -12.985 0.612 1.00 0.00 O ATOM 552 CB ALA X 143 0.446 -11.261 2.072 1.00 0.00 C ATOM 0 H ALA X 143 -0.791 -13.251 1.492 1.00 0.00 H new ATOM 0 HA ALA X 143 0.078 -11.060 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.113 -10.402 2.143 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.568 -10.954 2.327 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.776 -12.035 2.764 1.00 0.00 H new ATOM 558 N LEU X 144 2.384 -11.128 -0.619 1.00 0.00 N ATOM 559 CA LEU X 144 3.739 -11.159 -1.162 1.00 0.00 C ATOM 560 C LEU X 144 4.708 -10.530 -0.169 1.00 0.00 C ATOM 561 O LEU X 144 4.661 -9.320 0.043 1.00 0.00 O ATOM 562 CB LEU X 144 3.743 -10.374 -2.462 1.00 0.00 C ATOM 563 CG LEU X 144 3.116 -11.081 -3.674 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.195 -10.159 -4.854 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.796 -12.368 -4.060 1.00 0.00 C ATOM 0 H LEU X 144 1.832 -10.338 -0.952 1.00 0.00 H new ATOM 0 HA LEU X 144 4.052 -12.187 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.213 -9.435 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.774 -10.120 -2.707 1.00 0.00 H new ATOM 0 HG LEU X 144 2.093 -11.328 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.754 -10.644 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.650 -9.241 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.238 -9.921 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.291 -12.801 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.838 -12.168 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.752 -13.067 -3.225 1.00 0.00 H new ATOM 577 N ARG X 145 5.579 -11.324 0.448 1.00 0.00 N ATOM 578 CA ARG X 145 6.510 -10.784 1.438 1.00 0.00 C ATOM 579 C ARG X 145 7.916 -10.630 0.961 1.00 0.00 C ATOM 580 O ARG X 145 8.637 -11.611 0.874 1.00 0.00 O ATOM 581 CB ARG X 145 6.538 -11.659 2.702 1.00 0.00 C ATOM 582 CG ARG X 145 7.511 -11.099 3.777 1.00 0.00 C ATOM 583 CD ARG X 145 7.539 -11.880 5.096 1.00 0.00 C ATOM 584 NE ARG X 145 6.306 -11.768 5.882 1.00 0.00 N ATOM 585 CZ ARG X 145 6.024 -10.745 6.681 1.00 0.00 C ATOM 586 NH1 ARG X 145 6.850 -9.743 6.804 1.00 0.00 N ATOM 587 NH2 ARG X 145 4.910 -10.726 7.358 1.00 0.00 N ATOM 0 H ARG X 145 5.661 -12.328 0.285 1.00 0.00 H new ATOM 0 HA ARG X 145 6.124 -9.786 1.646 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.534 -11.723 3.121 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.838 -12.672 2.435 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.518 -11.083 3.360 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.237 -10.066 3.990 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.725 -12.932 4.880 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.375 -11.525 5.699 1.00 0.00 H new ATOM 0 HE ARG X 145 5.623 -12.522 5.811 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.727 -9.738 6.283 1.00 0.00 H new ATOM 0 HH12 ARG X 145 6.619 -8.965 7.422 1.00 0.00 H new ATOM 0 HH21 ARG X 145 4.250 -11.499 7.276 1.00 0.00 H new ATOM 0 HH22 ARG X 145 4.699 -9.938 7.970 1.00 0.00 H new ATOM 601 N CYS X 146 8.357 -9.427 0.655 1.00 0.00 N ATOM 602 CA CYS X 146 9.746 -9.304 0.262 1.00 0.00 C ATOM 603 C CYS X 146 10.547 -9.308 1.575 1.00 0.00 C ATOM 604 O CYS X 146 10.827 -8.268 2.175 1.00 0.00 O ATOM 605 CB CYS X 146 10.024 -8.082 -0.566 1.00 0.00 C ATOM 606 SG CYS X 146 11.797 -7.945 -0.869 1.00 0.00 S ATOM 0 H CYS X 146 7.811 -8.565 0.668 1.00 0.00 H new ATOM 0 HA CYS X 146 10.033 -10.129 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.487 -8.142 -1.513 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.663 -7.192 -0.051 1.00 0.00 H new ATOM 0 HG CYS X 146 12.262 -6.897 -0.256 1.00 0.00 H new ATOM 611 N ALA X 147 10.864 -10.508 2.025 1.00 0.00 N ATOM 612 CA ALA X 147 11.590 -10.727 3.268 1.00 0.00 C ATOM 613 C ALA X 147 12.974 -10.081 3.258 1.00 0.00 C ATOM 614 O ALA X 147 13.598 -9.939 4.298 1.00 0.00 O ATOM 615 CB ALA X 147 11.704 -12.219 3.530 1.00 0.00 C ATOM 0 H ALA X 147 10.623 -11.369 1.534 1.00 0.00 H new ATOM 0 HA ALA X 147 11.027 -10.250 4.070 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.247 -12.385 4.460 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.707 -12.652 3.610 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.240 -12.693 2.708 1.00 0.00 H new ATOM 621 N ASN X 148 13.451 -9.714 2.077 1.00 0.00 N ATOM 622 CA ASN X 148 14.753 -9.073 1.947 1.00 0.00 C ATOM 623 C ASN X 148 14.853 -7.721 2.597 1.00 0.00 C ATOM 624 O ASN X 148 15.955 -7.266 2.890 1.00 0.00 O ATOM 625 CB ASN X 148 15.167 -8.908 0.479 1.00 0.00 C ATOM 626 CG ASN X 148 15.388 -10.210 -0.226 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.330 -11.273 0.370 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.630 -10.137 -1.509 1.00 0.00 N ATOM 0 H ASN X 148 12.957 -9.849 1.195 1.00 0.00 H new ATOM 0 HA ASN X 148 15.423 -9.755 2.471 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.396 -8.345 -0.047 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.082 -8.318 0.431 1.00 0.00 H new ATOM 0 HD21 ASN X 148 15.779 -10.989 -2.049 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.670 -9.228 -1.969 1.00 0.00 H new ATOM 635 N CYS X 149 13.726 -7.065 2.813 1.00 0.00 N ATOM 636 CA CYS X 149 13.786 -5.742 3.368 1.00 0.00 C ATOM 637 C CYS X 149 12.516 -5.144 3.938 1.00 0.00 C ATOM 638 O CYS X 149 12.507 -4.550 5.018 1.00 0.00 O ATOM 639 CB CYS X 149 14.220 -4.867 2.179 1.00 0.00 C ATOM 640 SG CYS X 149 13.210 -5.118 0.685 1.00 0.00 S ATOM 0 H CYS X 149 12.790 -7.420 2.617 1.00 0.00 H new ATOM 0 HA CYS X 149 14.447 -5.788 4.233 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.167 -3.818 2.472 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.263 -5.080 1.943 1.00 0.00 H new ATOM 0 HG CYS X 149 13.940 -5.654 -0.247 1.00 0.00 H new ATOM 645 N LYS X 150 11.476 -5.237 3.141 1.00 0.00 N ATOM 646 CA LYS X 150 10.189 -4.626 3.453 1.00 0.00 C ATOM 647 C LYS X 150 9.085 -5.458 4.134 1.00 0.00 C ATOM 648 O LYS X 150 9.253 -5.959 5.240 1.00 0.00 O ATOM 649 CB LYS X 150 9.700 -3.940 2.185 1.00 0.00 C ATOM 650 CG LYS X 150 10.677 -2.850 1.748 1.00 0.00 C ATOM 651 CD LYS X 150 10.202 -2.214 0.503 1.00 0.00 C ATOM 652 CE LYS X 150 11.217 -1.187 -0.044 1.00 0.00 C ATOM 653 NZ LYS X 150 11.486 -0.035 0.867 1.00 0.00 N ATOM 0 H LYS X 150 11.491 -5.739 2.253 1.00 0.00 H new ATOM 0 HA LYS X 150 10.399 -3.938 4.272 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.588 -4.675 1.388 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.716 -3.505 2.358 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.774 -2.101 2.534 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.667 -3.279 1.592 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.021 -2.981 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.249 -1.719 0.689 1.00 0.00 H new ATOM 0 HE2 LYS X 150 12.157 -1.699 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.849 -0.803 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.176 0.604 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 10.601 0.481 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 11.869 -0.387 1.768 1.00 0.00 H new ATOM 667 N PHE X 151 7.936 -5.540 3.481 1.00 0.00 N ATOM 668 CA PHE X 151 6.752 -6.204 4.017 1.00 0.00 C ATOM 669 C PHE X 151 6.027 -7.292 3.231 1.00 0.00 C ATOM 670 O PHE X 151 6.429 -7.656 2.131 1.00 0.00 O ATOM 671 CB PHE X 151 5.750 -5.059 4.153 1.00 0.00 C ATOM 672 CG PHE X 151 5.751 -4.096 2.994 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.313 -4.481 1.735 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.173 -2.788 3.177 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.309 -3.583 0.686 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.168 -1.892 2.128 1.00 0.00 C ATOM 677 CZ PHE X 151 5.732 -2.288 0.886 1.00 0.00 C ATOM 0 H PHE X 151 7.795 -5.143 2.552 1.00 0.00 H new ATOM 0 HA PHE X 151 7.105 -6.747 4.894 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.750 -5.478 4.262 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.967 -4.508 5.068 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.972 -5.493 1.574 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.509 -2.467 4.152 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.974 -3.897 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.507 -0.878 2.283 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.721 -1.584 0.067 1.00 0.00 H new ATOM 687 N THR X 152 4.907 -7.745 3.801 1.00 0.00 N ATOM 688 CA THR X 152 4.024 -8.741 3.193 1.00 0.00 C ATOM 689 C THR X 152 2.796 -7.949 2.729 1.00 0.00 C ATOM 690 O THR X 152 1.967 -7.529 3.510 1.00 0.00 O ATOM 691 CB THR X 152 3.712 -9.950 4.156 1.00 0.00 C ATOM 692 OG1 THR X 152 3.189 -11.038 3.400 1.00 0.00 O ATOM 693 CG2 THR X 152 2.710 -9.651 5.254 1.00 0.00 C ATOM 0 H THR X 152 4.584 -7.424 4.714 1.00 0.00 H new ATOM 0 HA THR X 152 4.487 -9.245 2.345 1.00 0.00 H new ATOM 0 HB THR X 152 4.664 -10.179 4.635 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.578 -11.562 3.960 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.561 -10.542 5.863 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.087 -8.842 5.880 1.00 0.00 H new ATOM 0 HG23 THR X 152 1.761 -9.353 4.809 1.00 0.00 H new ATOM 701 N CYS X 153 2.737 -7.659 1.446 1.00 0.00 N ATOM 702 CA CYS X 153 1.649 -6.851 0.902 1.00 0.00 C ATOM 703 C CYS X 153 0.634 -7.621 0.057 1.00 0.00 C ATOM 704 O CYS X 153 0.899 -8.751 -0.344 1.00 0.00 O ATOM 705 CB CYS X 153 2.282 -5.785 0.008 1.00 0.00 C ATOM 706 SG CYS X 153 3.258 -6.463 -1.355 1.00 0.00 S ATOM 0 H CYS X 153 3.424 -7.966 0.757 1.00 0.00 H new ATOM 0 HA CYS X 153 1.098 -6.451 1.753 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.494 -5.152 -0.401 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.921 -5.145 0.617 1.00 0.00 H new ATOM 0 HG CYS X 153 2.461 -6.874 -2.297 1.00 0.00 H new ATOM 712 N HIS X 154 -0.507 -7.008 -0.251 1.00 0.00 N ATOM 713 CA HIS X 154 -1.483 -7.671 -1.137 1.00 0.00 C ATOM 714 C HIS X 154 -0.713 -7.874 -2.434 1.00 0.00 C ATOM 715 O HIS X 154 0.097 -7.020 -2.816 1.00 0.00 O ATOM 716 CB HIS X 154 -2.730 -6.841 -1.531 1.00 0.00 C ATOM 717 CG HIS X 154 -3.624 -6.443 -0.398 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.382 -5.345 0.427 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.800 -7.012 0.023 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.417 -5.318 1.319 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.265 -6.301 1.085 1.00 0.00 N ATOM 0 H HIS X 154 -0.780 -6.084 0.083 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.857 -8.551 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.397 -5.938 -2.042 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.316 -7.416 -2.248 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.596 -4.697 0.375 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.275 -7.877 -0.415 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.526 -4.590 2.109 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.119 -6.494 1.608 1.00 0.00 H new ATOM 729 N SER X 155 -0.978 -8.966 -3.135 1.00 0.00 N ATOM 730 CA SER X 155 -0.291 -9.217 -4.395 1.00 0.00 C ATOM 731 C SER X 155 -0.469 -7.985 -5.277 1.00 0.00 C ATOM 732 O SER X 155 0.472 -7.492 -5.875 1.00 0.00 O ATOM 733 CB SER X 155 -0.848 -10.474 -5.070 1.00 0.00 C ATOM 734 OG SER X 155 -2.239 -10.343 -5.342 1.00 0.00 O ATOM 0 H SER X 155 -1.651 -9.682 -2.861 1.00 0.00 H new ATOM 0 HA SER X 155 0.771 -9.395 -4.223 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.310 -10.659 -6.000 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.681 -11.339 -4.427 1.00 0.00 H new ATOM 0 HG SER X 155 -2.566 -11.159 -5.774 1.00 0.00 H new ATOM 740 N GLU X 156 -1.692 -7.485 -5.309 1.00 0.00 N ATOM 741 CA GLU X 156 -2.045 -6.297 -6.074 1.00 0.00 C ATOM 742 C GLU X 156 -1.207 -5.083 -5.619 1.00 0.00 C ATOM 743 O GLU X 156 -0.666 -4.336 -6.435 1.00 0.00 O ATOM 744 CB GLU X 156 -3.536 -6.009 -5.853 1.00 0.00 C ATOM 745 CG GLU X 156 -4.086 -4.851 -6.674 1.00 0.00 C ATOM 746 CD GLU X 156 -4.256 -5.227 -8.146 1.00 0.00 C ATOM 747 OE1 GLU X 156 -4.147 -6.443 -8.449 1.00 0.00 O ATOM 748 OE2 GLU X 156 -4.540 -4.314 -8.944 1.00 0.00 O ATOM 0 H GLU X 156 -2.476 -7.894 -4.801 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.841 -6.471 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.105 -6.908 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.699 -5.798 -4.796 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -5.047 -4.540 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -3.414 -3.997 -6.593 1.00 0.00 H new ATOM 755 N CYS X 157 -1.095 -4.906 -4.305 1.00 0.00 N ATOM 756 CA CYS X 157 -0.349 -3.800 -3.725 1.00 0.00 C ATOM 757 C CYS X 157 1.140 -3.788 -4.049 1.00 0.00 C ATOM 758 O CYS X 157 1.769 -2.743 -3.934 1.00 0.00 O ATOM 759 CB CYS X 157 -0.535 -3.774 -2.199 1.00 0.00 C ATOM 760 SG CYS X 157 -2.193 -3.356 -1.701 1.00 0.00 S ATOM 0 H CYS X 157 -1.520 -5.526 -3.616 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.766 -2.906 -4.188 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.276 -4.751 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.160 -3.054 -1.767 1.00 0.00 H new ATOM 0 HG CYS X 157 -2.151 -2.460 -0.760 1.00 0.00 H new ATOM 765 N ARG X 158 1.733 -4.918 -4.423 1.00 0.00 N ATOM 766 CA ARG X 158 3.181 -4.886 -4.713 1.00 0.00 C ATOM 767 C ARG X 158 3.444 -3.901 -5.850 1.00 0.00 C ATOM 768 O ARG X 158 4.504 -3.298 -5.939 1.00 0.00 O ATOM 769 CB ARG X 158 3.747 -6.270 -5.072 1.00 0.00 C ATOM 770 CG ARG X 158 3.513 -6.824 -6.500 1.00 0.00 C ATOM 771 CD ARG X 158 4.532 -6.231 -7.494 1.00 0.00 C ATOM 772 NE ARG X 158 4.372 -6.732 -8.855 1.00 0.00 N ATOM 773 CZ ARG X 158 5.151 -6.363 -9.856 1.00 0.00 C ATOM 774 NH1 ARG X 158 6.126 -5.520 -9.648 1.00 0.00 N ATOM 775 NH2 ARG X 158 4.955 -6.836 -11.057 1.00 0.00 N ATOM 0 H ARG X 158 1.275 -5.823 -4.531 1.00 0.00 H new ATOM 0 HA ARG X 158 3.692 -4.565 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG X 158 4.823 -6.241 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.332 -6.990 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG X 158 3.598 -7.911 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.500 -6.586 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG X 158 4.433 -5.146 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG X 158 5.540 -6.457 -7.148 1.00 0.00 H new ATOM 0 HE ARG X 158 3.623 -7.399 -9.042 1.00 0.00 H new ATOM 0 HH11 ARG X 158 6.286 -5.146 -8.713 1.00 0.00 H new ATOM 0 HH12 ARG X 158 6.727 -5.235 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG X 158 4.196 -7.495 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG X 158 5.561 -6.546 -11.825 1.00 0.00 H new ATOM 789 N SER X 159 2.463 -3.772 -6.733 1.00 0.00 N ATOM 790 CA SER X 159 2.546 -2.884 -7.893 1.00 0.00 C ATOM 791 C SER X 159 2.787 -1.445 -7.477 1.00 0.00 C ATOM 792 O SER X 159 3.461 -0.685 -8.163 1.00 0.00 O ATOM 793 CB SER X 159 1.262 -2.956 -8.719 1.00 0.00 C ATOM 794 OG SER X 159 1.349 -2.104 -9.849 1.00 0.00 O ATOM 0 H SER X 159 1.582 -4.281 -6.668 1.00 0.00 H new ATOM 0 HA SER X 159 3.390 -3.221 -8.495 1.00 0.00 H new ATOM 0 HB2 SER X 159 1.088 -3.982 -9.043 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.410 -2.667 -8.103 1.00 0.00 H new ATOM 0 HG SER X 159 0.520 -2.163 -10.368 1.00 0.00 H new ATOM 800 N LEU X 160 2.172 -1.077 -6.365 1.00 0.00 N ATOM 801 CA LEU X 160 2.244 0.281 -5.819 1.00 0.00 C ATOM 802 C LEU X 160 3.629 0.720 -5.346 1.00 0.00 C ATOM 803 O LEU X 160 3.794 1.853 -4.900 1.00 0.00 O ATOM 804 CB LEU X 160 1.269 0.400 -4.639 1.00 0.00 C ATOM 805 CG LEU X 160 -0.194 0.057 -4.945 1.00 0.00 C ATOM 806 CD1 LEU X 160 -1.003 0.212 -3.686 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.758 0.949 -6.025 1.00 0.00 C ATOM 0 H LEU X 160 1.602 -1.713 -5.807 1.00 0.00 H new ATOM 0 HA LEU X 160 1.983 0.940 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.616 -0.253 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.311 1.421 -4.259 1.00 0.00 H new ATOM 0 HG LEU X 160 -0.242 -0.971 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -2.046 -0.029 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.618 -0.462 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.932 1.240 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.796 0.677 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.708 1.989 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -0.177 0.826 -6.939 1.00 0.00 H new ATOM 819 N ILE X 161 4.623 -0.152 -5.417 1.00 0.00 N ATOM 820 CA ILE X 161 5.961 0.217 -4.968 1.00 0.00 C ATOM 821 C ILE X 161 7.042 -0.345 -5.901 1.00 0.00 C ATOM 822 O ILE X 161 7.416 -1.513 -5.852 1.00 0.00 O ATOM 823 CB ILE X 161 6.179 -0.193 -3.466 1.00 0.00 C ATOM 824 CG1 ILE X 161 7.656 -0.010 -3.067 1.00 0.00 C ATOM 825 CG2 ILE X 161 5.676 -1.651 -3.210 1.00 0.00 C ATOM 826 CD1 ILE X 161 7.958 -0.364 -1.640 1.00 0.00 C ATOM 0 H ILE X 161 4.535 -1.103 -5.774 1.00 0.00 H new ATOM 0 HA ILE X 161 6.052 1.302 -5.017 1.00 0.00 H new ATOM 0 HB ILE X 161 5.586 0.466 -2.832 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.276 -0.624 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE X 161 7.941 1.028 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE X 161 5.837 -1.913 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE X 161 4.613 -1.715 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE X 161 6.227 -2.343 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE X 161 9.018 -0.207 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE X 161 7.368 0.267 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.707 -1.410 -1.464 1.00 0.00 H new ATOM 838 N GLN X 162 7.531 0.522 -6.774 1.00 0.00 N ATOM 839 CA GLN X 162 8.569 0.173 -7.743 1.00 0.00 C ATOM 840 C GLN X 162 9.962 0.352 -7.128 1.00 0.00 C ATOM 841 O GLN X 162 10.973 0.303 -7.816 1.00 0.00 O ATOM 842 CB GLN X 162 8.451 1.070 -8.989 1.00 0.00 C ATOM 843 CG GLN X 162 7.123 0.923 -9.755 1.00 0.00 C ATOM 844 CD GLN X 162 6.024 1.872 -9.268 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.052 2.380 -8.155 1.00 0.00 O ATOM 846 NE2 GLN X 162 5.053 2.107 -10.112 1.00 0.00 N ATOM 0 H GLN X 162 7.221 1.492 -6.834 1.00 0.00 H new ATOM 0 HA GLN X 162 8.433 -0.871 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.568 2.110 -8.685 1.00 0.00 H new ATOM 0 HB3 GLN X 162 9.274 0.841 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.303 1.103 -10.815 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.771 -0.105 -9.661 1.00 0.00 H new ATOM 0 HE21 GLN X 162 5.060 1.667 -11.032 1.00 0.00 H new ATOM 0 HE22 GLN X 162 4.289 2.730 -9.850 1.00 0.00 H new ATOM 855 N LEU X 163 10.001 0.590 -5.826 1.00 0.00 N ATOM 856 CA LEU X 163 11.262 0.801 -5.113 1.00 0.00 C ATOM 857 C LEU X 163 11.757 -0.477 -4.447 1.00 0.00 C ATOM 858 O LEU X 163 11.356 -0.783 -3.324 1.00 0.00 O ATOM 859 CB LEU X 163 11.085 1.895 -4.055 1.00 0.00 C ATOM 860 CG LEU X 163 10.788 3.302 -4.590 1.00 0.00 C ATOM 861 CD1 LEU X 163 10.728 4.257 -3.422 1.00 0.00 C ATOM 862 CD2 LEU X 163 11.852 3.775 -5.561 1.00 0.00 C ATOM 0 H LEU X 163 9.172 0.643 -5.234 1.00 0.00 H new ATOM 0 HA LEU X 163 12.008 1.109 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU X 163 10.274 1.602 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU X 163 11.992 1.940 -3.452 1.00 0.00 H new ATOM 0 HG LEU X 163 9.839 3.272 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU X 163 10.517 5.263 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU X 163 9.939 3.946 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.684 4.253 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU X 163 11.603 4.775 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU X 163 12.819 3.799 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU X 163 11.901 3.092 -6.409 1.00 0.00 H new ATOM 874 N ASP X 164 12.618 -1.195 -5.161 1.00 0.00 N ATOM 875 CA ASP X 164 13.239 -2.462 -4.718 1.00 0.00 C ATOM 876 C ASP X 164 14.010 -2.484 -3.396 1.00 0.00 C ATOM 877 O ASP X 164 14.026 -1.514 -2.631 1.00 0.00 O ATOM 878 CB ASP X 164 14.048 -3.081 -5.872 1.00 0.00 C ATOM 879 CG ASP X 164 13.152 -3.703 -6.933 1.00 0.00 C ATOM 880 OD1 ASP X 164 12.108 -4.258 -6.505 1.00 0.00 O ATOM 881 OD2 ASP X 164 13.682 -3.958 -8.024 1.00 0.00 O ATOM 0 H ASP X 164 12.919 -0.912 -6.094 1.00 0.00 H new ATOM 0 HA ASP X 164 12.381 -3.082 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP X 164 14.671 -2.313 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP X 164 14.720 -3.842 -5.475 1.00 0.00 H new ATOM 886 N CYS X 165 14.578 -3.647 -3.100 1.00 0.00 N ATOM 887 CA CYS X 165 15.299 -3.877 -1.876 1.00 0.00 C ATOM 888 C CYS X 165 16.358 -2.803 -1.560 1.00 0.00 C ATOM 889 O CYS X 165 17.293 -2.548 -2.312 1.00 0.00 O ATOM 890 CB CYS X 165 15.953 -5.260 -1.964 1.00 0.00 C ATOM 891 SG CYS X 165 14.842 -6.631 -2.266 1.00 0.00 S ATOM 0 H CYS X 165 14.545 -4.459 -3.716 1.00 0.00 H new ATOM 0 HA CYS X 165 14.583 -3.824 -1.055 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.698 -5.239 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.487 -5.448 -1.033 1.00 0.00 H new ATOM 0 HG CYS X 165 15.394 -7.461 -3.100 1.00 0.00 H new ATOM 896 N ARG X 166 16.134 -2.202 -0.402 1.00 0.00 N ATOM 897 CA ARG X 166 16.985 -1.149 0.179 1.00 0.00 C ATOM 898 C ARG X 166 18.454 -1.554 0.342 1.00 0.00 C ATOM 899 O ARG X 166 18.699 -2.685 0.812 1.00 0.00 O ATOM 900 CB ARG X 166 16.405 -0.704 1.531 1.00 0.00 C ATOM 901 CG ARG X 166 16.306 -1.848 2.532 1.00 0.00 C ATOM 902 CD ARG X 166 15.766 -1.437 3.881 1.00 0.00 C ATOM 903 NE ARG X 166 15.600 -2.617 4.734 1.00 0.00 N ATOM 904 CZ ARG X 166 16.585 -3.216 5.381 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.810 -2.769 5.304 1.00 0.00 N ATOM 906 NH2 ARG X 166 16.334 -4.270 6.107 1.00 0.00 N ATOM 907 OXT ARG X 166 19.281 -0.647 0.147 1.00 0.00 O ATOM 0 H ARG X 166 15.333 -2.433 0.186 1.00 0.00 H new ATOM 0 HA ARG X 166 16.981 -0.322 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG X 166 17.030 0.085 1.948 1.00 0.00 H new ATOM 0 HB3 ARG X 166 15.415 -0.277 1.374 1.00 0.00 H new ATOM 0 HG2 ARG X 166 15.665 -2.626 2.117 1.00 0.00 H new ATOM 0 HG3 ARG X 166 17.295 -2.287 2.666 1.00 0.00 H new ATOM 0 HD2 ARG X 166 16.446 -0.729 4.354 1.00 0.00 H new ATOM 0 HD3 ARG X 166 14.810 -0.928 3.760 1.00 0.00 H new ATOM 0 HE ARG X 166 14.661 -3.002 4.835 1.00 0.00 H new ATOM 0 HH11 ARG X 166 18.018 -1.946 4.738 1.00 0.00 H new ATOM 0 HH12 ARG X 166 18.559 -3.243 5.810 1.00 0.00 H new ATOM 0 HH21 ARG X 166 15.381 -4.628 6.174 1.00 0.00 H new ATOM 0 HH22 ARG X 166 17.090 -4.736 6.608 1.00 0.00 H new