USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 345 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 132 CYS SG : rot -145:sc= 0.0303 USER MOD Set 1.2: X 135 CYS SG : rot -124:sc= 2.74 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -3.03! C(o=-0.18!,f=-13!) USER MOD Set 1.4: X 157 CYS SG : rot -142:sc= 0.0819 USER MOD Set 2.1: X 118 HIS : +bothHN:sc= 0.369 K(o=0.093,f=-14!) USER MOD Set 2.2: X 146 CYS SG : rot -106:sc= 1.95 USER MOD Set 2.3: X 148 ASN : amide:sc= 0.207 K(o=0.093,f=-5.4!) USER MOD Set 2.4: X 149 CYS SG : rot -104:sc= -1.77! USER MOD Set 2.5: X 165 CYS SG : rot 86:sc= -0.666! USER MOD Set 3.1: X 142 GLN : amide:sc= 1.08 K(o=1.4,f=-0.019) USER MOD Set 3.2: X 155 SER OG : rot 5:sc= 0.355 USER MOD Single : X 150 LYS NZ :NH3+ 168:sc= 1.38 (180deg=1.06) USER MOD Single : X 152 THR OG1 : rot -160:sc= 0 USER MOD Single : X 153 CYS SG : rot 130:sc= 0.0139 USER MOD Single : X 159 SER OG : rot -83:sc= 1.19 USER MOD Single : X 162 GLN : amide:sc=-0.00112 X(o=-0.0011,f=0) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 13.096 -7.616 -5.486 1.00 0.00 N ATOM 153 CA HIS X 118 12.355 -8.140 -4.335 1.00 0.00 C ATOM 154 C HIS X 118 11.995 -9.615 -4.485 1.00 0.00 C ATOM 155 O HIS X 118 11.344 -10.007 -5.448 1.00 0.00 O ATOM 156 CB HIS X 118 11.044 -7.400 -4.117 1.00 0.00 C ATOM 157 CG HIS X 118 11.186 -5.993 -3.636 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.702 -5.656 -2.387 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.788 -4.831 -4.232 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.610 -4.305 -2.303 1.00 0.00 C ATOM 161 NE2 HIS X 118 11.084 -3.795 -3.403 1.00 0.00 N ATOM 0 HA HIS X 118 13.030 -8.000 -3.491 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.488 -7.393 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.446 -7.956 -3.395 1.00 0.00 H new ATOM 0 HD1 HIS X 118 12.072 -6.293 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS X 118 10.317 -4.749 -5.200 1.00 0.00 H new ATOM 0 HE1 HIS X 118 11.925 -3.723 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.929 -2.805 -3.595 1.00 0.00 H new ATOM 169 N ARG X 119 12.414 -10.432 -3.525 1.00 0.00 N ATOM 170 CA ARG X 119 12.107 -11.866 -3.570 1.00 0.00 C ATOM 171 C ARG X 119 10.614 -12.157 -3.494 1.00 0.00 C ATOM 172 O ARG X 119 10.144 -13.079 -4.147 1.00 0.00 O ATOM 173 CB ARG X 119 12.920 -12.664 -2.536 1.00 0.00 C ATOM 174 CG ARG X 119 12.688 -12.333 -1.059 1.00 0.00 C ATOM 175 CD ARG X 119 13.664 -13.185 -0.228 1.00 0.00 C ATOM 176 NE ARG X 119 13.610 -12.930 1.215 1.00 0.00 N ATOM 177 CZ ARG X 119 14.510 -13.395 2.073 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.499 -14.128 1.650 1.00 0.00 N ATOM 179 NH2 ARG X 119 14.429 -13.126 3.348 1.00 0.00 N ATOM 0 H ARG X 119 12.960 -10.137 -2.715 1.00 0.00 H new ATOM 0 HA ARG X 119 12.424 -12.215 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.707 -13.723 -2.683 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.978 -12.519 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.855 -11.272 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.657 -12.548 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG X 119 13.451 -14.239 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG X 119 14.679 -13.001 -0.580 1.00 0.00 H new ATOM 0 HE ARG X 119 12.841 -12.366 1.578 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.584 -14.346 0.657 1.00 0.00 H new ATOM 0 HH12 ARG X 119 16.189 -14.484 2.311 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.665 -12.550 3.700 1.00 0.00 H new ATOM 0 HH22 ARG X 119 15.130 -13.492 3.992 1.00 0.00 H new ATOM 193 N PHE X 120 9.887 -11.387 -2.686 1.00 0.00 N ATOM 194 CA PHE X 120 8.438 -11.555 -2.535 1.00 0.00 C ATOM 195 C PHE X 120 8.067 -12.974 -2.154 1.00 0.00 C ATOM 196 O PHE X 120 7.305 -13.633 -2.852 1.00 0.00 O ATOM 197 CB PHE X 120 7.666 -11.173 -3.802 1.00 0.00 C ATOM 198 CG PHE X 120 7.689 -9.714 -4.124 1.00 0.00 C ATOM 199 CD1 PHE X 120 7.137 -8.795 -3.251 1.00 0.00 C ATOM 200 CD2 PHE X 120 8.213 -9.266 -5.320 1.00 0.00 C ATOM 201 CE1 PHE X 120 7.130 -7.460 -3.555 1.00 0.00 C ATOM 202 CE2 PHE X 120 8.198 -7.924 -5.635 1.00 0.00 C ATOM 203 CZ PHE X 120 7.666 -7.018 -4.750 1.00 0.00 C ATOM 0 H PHE X 120 10.279 -10.634 -2.121 1.00 0.00 H new ATOM 0 HA PHE X 120 8.154 -10.876 -1.731 1.00 0.00 H new ATOM 0 HB2 PHE X 120 8.081 -11.725 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.630 -11.492 -3.691 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.707 -9.134 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.639 -9.974 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.705 -6.751 -2.860 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.604 -7.585 -6.577 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.667 -5.964 -4.987 1.00 0.00 H new ATOM 213 N VAL X 121 8.602 -13.459 -1.052 1.00 0.00 N ATOM 214 CA VAL X 121 8.263 -14.827 -0.628 1.00 0.00 C ATOM 215 C VAL X 121 6.800 -14.857 -0.173 1.00 0.00 C ATOM 216 O VAL X 121 6.437 -14.307 0.858 1.00 0.00 O ATOM 217 CB VAL X 121 9.253 -15.449 0.409 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.556 -15.807 -0.288 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.581 -14.503 1.551 1.00 0.00 C ATOM 0 H VAL X 121 9.251 -12.959 -0.445 1.00 0.00 H new ATOM 0 HA VAL X 121 8.380 -15.483 -1.490 1.00 0.00 H new ATOM 0 HB VAL X 121 8.761 -16.329 0.823 1.00 0.00 H new ATOM 0 HG11 VAL X 121 11.248 -16.241 0.434 1.00 0.00 H new ATOM 0 HG12 VAL X 121 10.358 -16.529 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.997 -14.908 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.272 -14.989 2.239 1.00 0.00 H new ATOM 0 HG22 VAL X 121 10.041 -13.598 1.153 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.665 -14.241 2.081 1.00 0.00 H new ATOM 229 N GLU X 122 5.952 -15.458 -0.994 1.00 0.00 N ATOM 230 CA GLU X 122 4.520 -15.543 -0.710 1.00 0.00 C ATOM 231 C GLU X 122 4.178 -16.229 0.607 1.00 0.00 C ATOM 232 O GLU X 122 4.918 -17.078 1.110 1.00 0.00 O ATOM 233 CB GLU X 122 3.781 -16.286 -1.833 1.00 0.00 C ATOM 234 CG GLU X 122 4.205 -17.751 -1.998 1.00 0.00 C ATOM 235 CD GLU X 122 3.416 -18.463 -3.083 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.164 -18.398 -3.022 1.00 0.00 O ATOM 237 OE2 GLU X 122 4.060 -19.076 -3.960 1.00 0.00 O ATOM 0 H GLU X 122 6.230 -15.899 -1.871 1.00 0.00 H new ATOM 0 HA GLU X 122 4.196 -14.505 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU X 122 2.710 -16.249 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU X 122 3.950 -15.762 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU X 122 5.268 -17.794 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU X 122 4.070 -18.274 -1.051 1.00 0.00 H new ATOM 244 N LEU X 123 3.032 -15.864 1.157 1.00 0.00 N ATOM 245 CA LEU X 123 2.562 -16.465 2.392 1.00 0.00 C ATOM 246 C LEU X 123 1.516 -17.514 2.058 1.00 0.00 C ATOM 247 O LEU X 123 0.819 -17.422 1.053 1.00 0.00 O ATOM 248 CB LEU X 123 1.955 -15.428 3.318 1.00 0.00 C ATOM 249 CG LEU X 123 2.896 -14.368 3.878 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.073 -13.626 4.868 1.00 0.00 C ATOM 251 CD2 LEU X 123 4.120 -14.953 4.554 1.00 0.00 C ATOM 0 H LEU X 123 2.411 -15.155 0.767 1.00 0.00 H new ATOM 0 HA LEU X 123 3.412 -16.917 2.903 1.00 0.00 H new ATOM 0 HB2 LEU X 123 1.154 -14.921 2.780 1.00 0.00 H new ATOM 0 HB3 LEU X 123 1.495 -15.950 4.157 1.00 0.00 H new ATOM 0 HG LEU X 123 3.287 -13.742 3.076 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.674 -12.839 5.324 1.00 0.00 H new ATOM 0 HD12 LEU X 123 1.213 -13.182 4.366 1.00 0.00 H new ATOM 0 HD13 LEU X 123 1.728 -14.312 5.641 1.00 0.00 H new ATOM 0 HD21 LEU X 123 4.748 -14.146 4.931 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.809 -15.588 5.384 1.00 0.00 H new ATOM 0 HD23 LEU X 123 4.684 -15.547 3.835 1.00 0.00 H new ATOM 330 N PRO X 129 -7.246 -14.860 7.910 1.00 0.00 N ATOM 331 CA PRO X 129 -6.720 -13.589 7.412 1.00 0.00 C ATOM 332 C PRO X 129 -5.202 -13.536 7.357 1.00 0.00 C ATOM 333 O PRO X 129 -4.498 -14.501 7.639 1.00 0.00 O ATOM 334 CB PRO X 129 -7.121 -12.604 8.524 1.00 0.00 C ATOM 335 CG PRO X 129 -8.236 -13.239 9.218 1.00 0.00 C ATOM 336 CD PRO X 129 -7.786 -14.685 9.266 1.00 0.00 C ATOM 0 HA PRO X 129 -7.091 -13.399 6.405 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.289 -12.418 9.204 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -7.414 -11.640 8.108 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -8.387 -12.824 10.215 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -9.175 -13.120 8.678 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.032 -14.856 10.035 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.611 -15.366 9.472 1.00 0.00 H new ATOM 344 N GLY X 130 -4.714 -12.352 7.055 1.00 0.00 N ATOM 345 CA GLY X 130 -3.302 -12.081 6.997 1.00 0.00 C ATOM 346 C GLY X 130 -3.411 -10.593 6.844 1.00 0.00 C ATOM 347 O GLY X 130 -4.512 -10.138 6.558 1.00 0.00 O ATOM 0 H GLY X 130 -5.298 -11.543 6.841 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.769 -12.383 7.898 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.805 -12.565 6.156 1.00 0.00 H new ATOM 351 N TRP X 131 -2.354 -9.832 7.045 1.00 0.00 N ATOM 352 CA TRP X 131 -2.436 -8.378 6.924 1.00 0.00 C ATOM 353 C TRP X 131 -1.421 -7.788 5.935 1.00 0.00 C ATOM 354 O TRP X 131 -0.239 -8.122 6.012 1.00 0.00 O ATOM 355 CB TRP X 131 -2.241 -7.815 8.328 1.00 0.00 C ATOM 356 CG TRP X 131 -3.398 -8.240 9.208 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.498 -9.367 9.981 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.640 -7.538 9.392 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.714 -9.415 10.609 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.431 -8.299 10.280 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.157 -6.344 8.895 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.699 -7.895 10.677 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.414 -5.935 9.290 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.175 -6.709 10.179 1.00 0.00 C ATOM 0 H TRP X 131 -1.430 -10.187 7.292 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.406 -8.101 6.512 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.301 -8.173 8.747 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.180 -6.727 8.290 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.725 -10.114 10.081 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.033 -10.164 11.224 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.580 -5.744 8.207 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.290 -8.494 11.354 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -6.817 -5.008 8.910 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.154 -6.364 10.477 1.00 0.00 H new ATOM 375 N CYS X 132 -1.877 -6.933 5.018 1.00 0.00 N ATOM 376 CA CYS X 132 -0.986 -6.265 4.063 1.00 0.00 C ATOM 377 C CYS X 132 -0.379 -5.229 4.973 1.00 0.00 C ATOM 378 O CYS X 132 -1.001 -4.216 5.213 1.00 0.00 O ATOM 379 CB CYS X 132 -1.777 -5.592 2.937 1.00 0.00 C ATOM 380 SG CYS X 132 -0.811 -4.619 1.767 1.00 0.00 S ATOM 0 H CYS X 132 -2.861 -6.685 4.915 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.281 -6.922 3.554 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.311 -6.364 2.383 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.529 -4.943 3.386 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.504 -3.588 1.383 1.00 0.00 H new ATOM 385 N ASP X 133 0.814 -5.472 5.470 1.00 0.00 N ATOM 386 CA ASP X 133 1.454 -4.526 6.408 1.00 0.00 C ATOM 387 C ASP X 133 1.551 -3.134 5.806 1.00 0.00 C ATOM 388 O ASP X 133 1.428 -2.128 6.496 1.00 0.00 O ATOM 389 CB ASP X 133 2.775 -5.074 6.983 1.00 0.00 C ATOM 390 CG ASP X 133 3.811 -5.366 5.924 1.00 0.00 C ATOM 391 OD1 ASP X 133 3.446 -5.314 4.745 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.889 -5.873 6.294 1.00 0.00 O ATOM 0 H ASP X 133 1.369 -6.301 5.255 1.00 0.00 H new ATOM 0 HA ASP X 133 0.808 -4.421 7.279 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.182 -4.352 7.691 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.569 -5.987 7.542 1.00 0.00 H new ATOM 397 N LEU X 134 1.716 -3.102 4.500 1.00 0.00 N ATOM 398 CA LEU X 134 1.750 -1.876 3.735 1.00 0.00 C ATOM 399 C LEU X 134 0.410 -1.115 3.886 1.00 0.00 C ATOM 400 O LEU X 134 0.385 0.072 4.198 1.00 0.00 O ATOM 401 CB LEU X 134 2.011 -2.248 2.275 1.00 0.00 C ATOM 402 CG LEU X 134 1.585 -1.236 1.221 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.305 0.081 1.347 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.867 -1.836 -0.123 1.00 0.00 C ATOM 0 H LEU X 134 1.832 -3.941 3.932 1.00 0.00 H new ATOM 0 HA LEU X 134 2.539 -1.217 4.096 1.00 0.00 H new ATOM 0 HB2 LEU X 134 3.079 -2.432 2.157 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.501 -3.189 2.068 1.00 0.00 H new ATOM 0 HG LEU X 134 0.525 -1.022 1.356 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.959 0.761 0.568 1.00 0.00 H new ATOM 0 HD12 LEU X 134 2.100 0.515 2.325 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.378 -0.079 1.238 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.572 -1.135 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.932 -2.049 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.302 -2.761 -0.234 1.00 0.00 H new ATOM 416 N CYS X 135 -0.694 -1.812 3.634 1.00 0.00 N ATOM 417 CA CYS X 135 -2.035 -1.218 3.723 1.00 0.00 C ATOM 418 C CYS X 135 -2.675 -1.109 5.112 1.00 0.00 C ATOM 419 O CYS X 135 -3.476 -0.215 5.383 1.00 0.00 O ATOM 420 CB CYS X 135 -2.999 -2.072 2.886 1.00 0.00 C ATOM 421 SG CYS X 135 -2.945 -1.771 1.146 1.00 0.00 S ATOM 0 H CYS X 135 -0.691 -2.796 3.364 1.00 0.00 H new ATOM 0 HA CYS X 135 -1.883 -0.195 3.378 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -2.777 -3.124 3.065 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.015 -1.897 3.238 1.00 0.00 H new ATOM 0 HG CYS X 135 -4.135 -1.463 0.722 1.00 0.00 H new ATOM 426 N GLY X 136 -2.365 -2.074 5.954 1.00 0.00 N ATOM 427 CA GLY X 136 -2.939 -2.155 7.287 1.00 0.00 C ATOM 428 C GLY X 136 -4.251 -2.916 7.175 1.00 0.00 C ATOM 429 O GLY X 136 -4.934 -3.168 8.154 1.00 0.00 O ATOM 0 H GLY X 136 -1.709 -2.824 5.736 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.257 -2.665 7.968 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.108 -1.158 7.693 1.00 0.00 H new ATOM 433 N ARG X 137 -4.598 -3.265 5.939 1.00 0.00 N ATOM 434 CA ARG X 137 -5.824 -3.991 5.602 1.00 0.00 C ATOM 435 C ARG X 137 -5.611 -5.480 5.311 1.00 0.00 C ATOM 436 O ARG X 137 -4.572 -5.883 4.798 1.00 0.00 O ATOM 437 CB ARG X 137 -6.420 -3.301 4.389 1.00 0.00 C ATOM 438 CG ARG X 137 -6.933 -1.899 4.712 1.00 0.00 C ATOM 439 CD ARG X 137 -7.235 -1.128 3.453 1.00 0.00 C ATOM 440 NE ARG X 137 -6.024 -0.669 2.762 1.00 0.00 N ATOM 441 CZ ARG X 137 -5.424 0.488 3.006 1.00 0.00 C ATOM 442 NH1 ARG X 137 -5.906 1.309 3.897 1.00 0.00 N ATOM 443 NH2 ARG X 137 -4.345 0.818 2.357 1.00 0.00 N ATOM 0 H ARG X 137 -4.024 -3.047 5.125 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.488 -3.967 6.466 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.667 -3.238 3.604 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.239 -3.904 3.997 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.833 -1.970 5.323 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.189 -1.363 5.301 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -7.816 -1.756 2.778 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -7.855 -0.266 3.700 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.619 -1.277 2.050 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -6.751 1.063 4.413 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -5.438 2.197 4.078 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -3.957 0.185 1.657 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -3.887 1.709 2.548 1.00 0.00 H new ATOM 457 N GLU X 138 -6.610 -6.278 5.645 1.00 0.00 N ATOM 458 CA GLU X 138 -6.605 -7.734 5.462 1.00 0.00 C ATOM 459 C GLU X 138 -6.257 -8.263 4.066 1.00 0.00 C ATOM 460 O GLU X 138 -6.890 -7.897 3.071 1.00 0.00 O ATOM 461 CB GLU X 138 -8.004 -8.295 5.773 1.00 0.00 C ATOM 462 CG GLU X 138 -8.464 -8.174 7.224 1.00 0.00 C ATOM 463 CD GLU X 138 -9.214 -6.864 7.531 1.00 0.00 C ATOM 464 OE1 GLU X 138 -8.983 -5.853 6.822 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.026 -6.899 8.477 1.00 0.00 O ATOM 0 H GLU X 138 -7.473 -5.930 6.062 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.813 -8.060 6.136 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.728 -7.784 5.139 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.022 -9.348 5.493 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.113 -9.017 7.461 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -7.595 -8.246 7.878 1.00 0.00 H new ATOM 472 N VAL X 139 -5.290 -9.167 3.986 1.00 0.00 N ATOM 473 CA VAL X 139 -4.932 -9.785 2.712 1.00 0.00 C ATOM 474 C VAL X 139 -5.682 -11.101 2.599 1.00 0.00 C ATOM 475 O VAL X 139 -5.250 -12.139 3.068 1.00 0.00 O ATOM 476 CB VAL X 139 -3.405 -10.043 2.556 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.731 -8.810 2.163 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.788 -10.441 3.828 1.00 0.00 C ATOM 0 H VAL X 139 -4.740 -9.489 4.783 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.208 -9.091 1.918 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.299 -10.833 1.812 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.663 -8.998 2.056 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.135 -8.461 1.213 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.891 -8.049 2.927 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.722 -10.612 3.678 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -2.928 -9.649 4.564 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.255 -11.358 4.188 1.00 0.00 H new ATOM 488 N LEU X 140 -6.831 -11.041 1.954 1.00 0.00 N ATOM 489 CA LEU X 140 -7.646 -12.231 1.759 1.00 0.00 C ATOM 490 C LEU X 140 -6.995 -13.097 0.687 1.00 0.00 C ATOM 491 O LEU X 140 -7.087 -14.316 0.704 1.00 0.00 O ATOM 492 CB LEU X 140 -9.079 -11.846 1.378 1.00 0.00 C ATOM 493 CG LEU X 140 -9.848 -11.073 2.463 1.00 0.00 C ATOM 494 CD1 LEU X 140 -11.261 -10.849 1.987 1.00 0.00 C ATOM 495 CD2 LEU X 140 -9.881 -11.822 3.785 1.00 0.00 C ATOM 0 H LEU X 140 -7.222 -10.187 1.557 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.705 -12.799 2.687 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.049 -11.240 0.472 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.632 -12.754 1.137 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.335 -10.126 2.632 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.818 -10.302 2.747 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -11.246 -10.272 1.062 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.741 -11.811 1.807 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -10.434 -11.238 4.520 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -10.370 -12.786 3.645 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -8.862 -11.980 4.139 1.00 0.00 H new ATOM 507 N ARG X 141 -6.361 -12.437 -0.273 1.00 0.00 N ATOM 508 CA ARG X 141 -5.699 -13.135 -1.376 1.00 0.00 C ATOM 509 C ARG X 141 -4.223 -13.402 -1.027 1.00 0.00 C ATOM 510 O ARG X 141 -3.794 -13.206 0.098 1.00 0.00 O ATOM 511 CB ARG X 141 -5.820 -12.326 -2.675 1.00 0.00 C ATOM 512 CG ARG X 141 -7.278 -12.066 -3.082 1.00 0.00 C ATOM 513 CD ARG X 141 -7.381 -11.529 -4.512 1.00 0.00 C ATOM 514 NE ARG X 141 -6.685 -10.256 -4.714 1.00 0.00 N ATOM 515 CZ ARG X 141 -7.195 -9.057 -4.483 1.00 0.00 C ATOM 516 NH1 ARG X 141 -8.408 -8.902 -4.027 1.00 0.00 N ATOM 517 NH2 ARG X 141 -6.461 -8.016 -4.720 1.00 0.00 N ATOM 0 H ARG X 141 -6.289 -11.420 -0.314 1.00 0.00 H new ATOM 0 HA ARG X 141 -6.193 -14.094 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -5.306 -11.372 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -5.313 -12.860 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -7.849 -12.991 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -7.726 -11.351 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -6.972 -12.270 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -8.433 -11.403 -4.768 1.00 0.00 H new ATOM 0 HE ARG X 141 -5.727 -10.297 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -8.990 -9.718 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -8.774 -7.965 -3.859 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -5.512 -8.131 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -6.832 -7.081 -4.550 1.00 0.00 H new ATOM 531 N GLN X 142 -3.458 -13.835 -2.016 1.00 0.00 N ATOM 532 CA GLN X 142 -2.037 -14.149 -1.851 1.00 0.00 C ATOM 533 C GLN X 142 -1.191 -12.935 -1.446 1.00 0.00 C ATOM 534 O GLN X 142 -1.068 -11.968 -2.196 1.00 0.00 O ATOM 535 CB GLN X 142 -1.506 -14.656 -3.198 1.00 0.00 C ATOM 536 CG GLN X 142 -0.021 -15.050 -3.217 1.00 0.00 C ATOM 537 CD GLN X 142 0.432 -15.411 -4.620 1.00 0.00 C ATOM 538 OE1 GLN X 142 0.197 -14.663 -5.558 1.00 0.00 O ATOM 539 NE2 GLN X 142 1.077 -16.533 -4.772 1.00 0.00 N ATOM 0 H GLN X 142 -3.802 -13.981 -2.965 1.00 0.00 H new ATOM 0 HA GLN X 142 -1.957 -14.889 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -2.097 -15.521 -3.500 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -1.668 -13.881 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN X 142 0.582 -14.225 -2.838 1.00 0.00 H new ATOM 0 HG3 GLN X 142 0.142 -15.897 -2.550 1.00 0.00 H new ATOM 0 HE21 GLN X 142 1.255 -17.132 -3.966 1.00 0.00 H new ATOM 0 HE22 GLN X 142 1.404 -16.812 -5.697 1.00 0.00 H new ATOM 548 N ALA X 143 -0.599 -12.993 -0.265 1.00 0.00 N ATOM 549 CA ALA X 143 0.259 -11.915 0.209 1.00 0.00 C ATOM 550 C ALA X 143 1.701 -12.231 -0.144 1.00 0.00 C ATOM 551 O ALA X 143 2.170 -13.345 0.070 1.00 0.00 O ATOM 552 CB ALA X 143 0.119 -11.733 1.650 1.00 0.00 C ATOM 0 H ALA X 143 -0.695 -13.774 0.384 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.040 -10.986 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.770 -10.923 1.979 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.916 -11.486 1.887 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.399 -12.654 2.162 1.00 0.00 H new ATOM 558 N LEU X 144 2.389 -11.258 -0.709 1.00 0.00 N ATOM 559 CA LEU X 144 3.786 -11.423 -1.126 1.00 0.00 C ATOM 560 C LEU X 144 4.726 -10.635 -0.242 1.00 0.00 C ATOM 561 O LEU X 144 4.606 -9.420 -0.133 1.00 0.00 O ATOM 562 CB LEU X 144 3.927 -10.996 -2.561 1.00 0.00 C ATOM 563 CG LEU X 144 3.159 -11.992 -3.445 1.00 0.00 C ATOM 564 CD1 LEU X 144 1.877 -11.450 -4.034 1.00 0.00 C ATOM 565 CD2 LEU X 144 4.068 -12.457 -4.534 1.00 0.00 C ATOM 0 H LEU X 144 2.006 -10.331 -0.895 1.00 0.00 H new ATOM 0 HA LEU X 144 4.057 -12.474 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.534 -9.988 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.979 -10.969 -2.846 1.00 0.00 H new ATOM 0 HG LEU X 144 2.851 -12.815 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU X 144 1.402 -12.220 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU X 144 1.203 -11.156 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU X 144 2.100 -10.583 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.539 -13.165 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.389 -11.602 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU X 144 4.940 -12.943 -4.097 1.00 0.00 H new ATOM 577 N ARG X 145 5.649 -11.330 0.406 1.00 0.00 N ATOM 578 CA ARG X 145 6.559 -10.685 1.349 1.00 0.00 C ATOM 579 C ARG X 145 8.000 -10.623 0.946 1.00 0.00 C ATOM 580 O ARG X 145 8.689 -11.628 1.032 1.00 0.00 O ATOM 581 CB ARG X 145 6.480 -11.448 2.686 1.00 0.00 C ATOM 582 CG ARG X 145 7.380 -10.873 3.798 1.00 0.00 C ATOM 583 CD ARG X 145 7.250 -11.659 5.102 1.00 0.00 C ATOM 584 NE ARG X 145 5.918 -11.515 5.692 1.00 0.00 N ATOM 585 CZ ARG X 145 5.545 -12.061 6.832 1.00 0.00 C ATOM 586 NH1 ARG X 145 6.380 -12.796 7.514 1.00 0.00 N ATOM 587 NH2 ARG X 145 4.337 -11.868 7.284 1.00 0.00 N ATOM 0 H ARG X 145 5.790 -12.335 0.299 1.00 0.00 H new ATOM 0 HA ARG X 145 6.226 -9.649 1.404 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.447 -11.444 3.033 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.755 -12.489 2.514 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.419 -10.888 3.468 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.116 -9.830 3.975 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.452 -12.713 4.913 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.001 -11.313 5.812 1.00 0.00 H new ATOM 0 HE ARG X 145 5.232 -10.954 5.187 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.326 -12.950 7.165 1.00 0.00 H new ATOM 0 HH12 ARG X 145 6.087 -13.216 8.396 1.00 0.00 H new ATOM 0 HH21 ARG X 145 3.680 -11.294 6.755 1.00 0.00 H new ATOM 0 HH22 ARG X 145 4.049 -12.291 8.166 1.00 0.00 H new ATOM 601 N CYS X 146 8.504 -9.481 0.517 1.00 0.00 N ATOM 602 CA CYS X 146 9.916 -9.434 0.210 1.00 0.00 C ATOM 603 C CYS X 146 10.632 -9.318 1.559 1.00 0.00 C ATOM 604 O CYS X 146 10.942 -8.230 2.044 1.00 0.00 O ATOM 605 CB CYS X 146 10.299 -8.320 -0.722 1.00 0.00 C ATOM 606 SG CYS X 146 12.098 -8.298 -0.897 1.00 0.00 S ATOM 0 H CYS X 146 7.985 -8.614 0.379 1.00 0.00 H new ATOM 0 HA CYS X 146 10.207 -10.334 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.827 -8.462 -1.694 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.946 -7.365 -0.333 1.00 0.00 H new ATOM 0 HG CYS X 146 12.586 -7.291 -0.235 1.00 0.00 H new ATOM 611 N ALA X 147 10.843 -10.470 2.167 1.00 0.00 N ATOM 612 CA ALA X 147 11.473 -10.570 3.467 1.00 0.00 C ATOM 613 C ALA X 147 12.907 -10.032 3.481 1.00 0.00 C ATOM 614 O ALA X 147 13.503 -9.942 4.542 1.00 0.00 O ATOM 615 CB ALA X 147 11.410 -12.010 3.960 1.00 0.00 C ATOM 0 H ALA X 147 10.579 -11.370 1.767 1.00 0.00 H new ATOM 0 HA ALA X 147 10.915 -9.933 4.153 1.00 0.00 H new ATOM 0 HB1 ALA X 147 11.885 -12.081 4.938 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.369 -12.322 4.039 1.00 0.00 H new ATOM 0 HB3 ALA X 147 11.931 -12.659 3.256 1.00 0.00 H new ATOM 621 N ASN X 148 13.470 -9.706 2.319 1.00 0.00 N ATOM 622 CA ASN X 148 14.824 -9.155 2.293 1.00 0.00 C ATOM 623 C ASN X 148 14.893 -7.823 2.944 1.00 0.00 C ATOM 624 O ASN X 148 15.951 -7.414 3.416 1.00 0.00 O ATOM 625 CB ASN X 148 15.404 -8.968 0.879 1.00 0.00 C ATOM 626 CG ASN X 148 15.716 -10.248 0.188 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.946 -11.262 0.818 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.768 -10.207 -1.115 1.00 0.00 N ATOM 0 H ASN X 148 13.025 -9.809 1.407 1.00 0.00 H new ATOM 0 HA ASN X 148 15.409 -9.902 2.830 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.693 -8.403 0.276 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.313 -8.370 0.945 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.009 -11.046 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.568 -9.336 -1.606 1.00 0.00 H new ATOM 635 N CYS X 149 13.781 -7.118 2.958 1.00 0.00 N ATOM 636 CA CYS X 149 13.838 -5.804 3.492 1.00 0.00 C ATOM 637 C CYS X 149 12.562 -5.193 4.003 1.00 0.00 C ATOM 638 O CYS X 149 12.453 -4.695 5.122 1.00 0.00 O ATOM 639 CB CYS X 149 14.343 -4.978 2.280 1.00 0.00 C ATOM 640 SG CYS X 149 13.380 -5.211 0.709 1.00 0.00 S ATOM 0 H CYS X 149 12.871 -7.428 2.618 1.00 0.00 H new ATOM 0 HA CYS X 149 14.456 -5.818 4.390 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.322 -3.921 2.547 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.384 -5.239 2.091 1.00 0.00 H new ATOM 0 HG CYS X 149 14.052 -5.972 -0.103 1.00 0.00 H new ATOM 645 N LYS X 150 11.634 -5.177 3.091 1.00 0.00 N ATOM 646 CA LYS X 150 10.360 -4.510 3.277 1.00 0.00 C ATOM 647 C LYS X 150 9.104 -5.178 3.839 1.00 0.00 C ATOM 648 O LYS X 150 9.071 -5.584 4.990 1.00 0.00 O ATOM 649 CB LYS X 150 10.105 -3.702 2.007 1.00 0.00 C ATOM 650 CG LYS X 150 11.137 -2.582 1.897 1.00 0.00 C ATOM 651 CD LYS X 150 10.946 -1.810 0.652 1.00 0.00 C ATOM 652 CE LYS X 150 11.864 -0.590 0.620 1.00 0.00 C ATOM 653 NZ LYS X 150 13.328 -0.928 0.629 1.00 0.00 N ATOM 0 H LYS X 150 11.733 -5.630 2.183 1.00 0.00 H new ATOM 0 HA LYS X 150 10.529 -3.943 4.192 1.00 0.00 H new ATOM 0 HB2 LYS X 150 10.163 -4.351 1.133 1.00 0.00 H new ATOM 0 HB3 LYS X 150 9.099 -3.283 2.026 1.00 0.00 H new ATOM 0 HG2 LYS X 150 11.053 -1.918 2.758 1.00 0.00 H new ATOM 0 HG3 LYS X 150 12.142 -3.004 1.917 1.00 0.00 H new ATOM 0 HD2 LYS X 150 11.150 -2.446 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.907 -1.490 0.574 1.00 0.00 H new ATOM 0 HE2 LYS X 150 11.642 -0.004 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS X 150 11.642 0.042 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 13.882 -0.077 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 13.598 -1.277 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 13.519 -1.664 -0.080 1.00 0.00 H new ATOM 667 N PHE X 151 8.051 -5.203 3.039 1.00 0.00 N ATOM 668 CA PHE X 151 6.744 -5.687 3.462 1.00 0.00 C ATOM 669 C PHE X 151 6.079 -6.871 2.778 1.00 0.00 C ATOM 670 O PHE X 151 6.510 -7.351 1.717 1.00 0.00 O ATOM 671 CB PHE X 151 5.801 -4.487 3.254 1.00 0.00 C ATOM 672 CG PHE X 151 6.281 -3.506 2.232 1.00 0.00 C ATOM 673 CD1 PHE X 151 6.346 -3.847 0.895 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.645 -2.225 2.613 1.00 0.00 C ATOM 675 CE1 PHE X 151 6.784 -2.935 -0.035 1.00 0.00 C ATOM 676 CE2 PHE X 151 7.075 -1.309 1.679 1.00 0.00 C ATOM 677 CZ PHE X 151 7.143 -1.665 0.352 1.00 0.00 C ATOM 0 H PHE X 151 8.078 -4.886 2.070 1.00 0.00 H new ATOM 0 HA PHE X 151 6.919 -6.069 4.468 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.820 -4.856 2.955 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.671 -3.971 4.205 1.00 0.00 H new ATOM 0 HD1 PHE X 151 6.051 -4.837 0.579 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.591 -1.942 3.654 1.00 0.00 H new ATOM 0 HE1 PHE X 151 6.847 -3.217 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE X 151 7.358 -0.314 1.988 1.00 0.00 H new ATOM 0 HZ PHE X 151 7.477 -0.949 -0.384 1.00 0.00 H new ATOM 687 N THR X 152 4.989 -7.303 3.408 1.00 0.00 N ATOM 688 CA THR X 152 4.146 -8.363 2.934 1.00 0.00 C ATOM 689 C THR X 152 2.814 -7.751 2.510 1.00 0.00 C ATOM 690 O THR X 152 1.920 -7.501 3.290 1.00 0.00 O ATOM 691 CB THR X 152 3.967 -9.352 4.070 1.00 0.00 C ATOM 692 OG1 THR X 152 2.987 -10.336 3.740 1.00 0.00 O ATOM 693 CG2 THR X 152 3.619 -8.715 5.397 1.00 0.00 C ATOM 0 H THR X 152 4.670 -6.902 4.290 1.00 0.00 H new ATOM 0 HA THR X 152 4.577 -8.884 2.079 1.00 0.00 H new ATOM 0 HB THR X 152 4.943 -9.821 4.196 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.656 -10.756 4.561 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.508 -9.490 6.155 1.00 0.00 H new ATOM 0 HG22 THR X 152 4.414 -8.030 5.692 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.683 -8.165 5.302 1.00 0.00 H new ATOM 701 N CYS X 153 2.690 -7.529 1.226 1.00 0.00 N ATOM 702 CA CYS X 153 1.507 -6.873 0.697 1.00 0.00 C ATOM 703 C CYS X 153 0.565 -7.668 -0.202 1.00 0.00 C ATOM 704 O CYS X 153 0.924 -8.725 -0.743 1.00 0.00 O ATOM 705 CB CYS X 153 2.026 -5.716 -0.149 1.00 0.00 C ATOM 706 SG CYS X 153 3.013 -6.264 -1.551 1.00 0.00 S ATOM 0 H CYS X 153 3.385 -7.788 0.526 1.00 0.00 H new ATOM 0 HA CYS X 153 0.904 -6.633 1.573 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.182 -5.130 -0.512 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.627 -5.056 0.476 1.00 0.00 H new ATOM 0 HG CYS X 153 2.585 -5.688 -2.635 1.00 0.00 H new ATOM 712 N HIS X 154 -0.626 -7.119 -0.411 1.00 0.00 N ATOM 713 CA HIS X 154 -1.594 -7.752 -1.340 1.00 0.00 C ATOM 714 C HIS X 154 -0.907 -7.832 -2.720 1.00 0.00 C ATOM 715 O HIS X 154 -0.113 -6.945 -3.082 1.00 0.00 O ATOM 716 CB HIS X 154 -2.889 -6.941 -1.626 1.00 0.00 C ATOM 717 CG HIS X 154 -3.739 -6.607 -0.437 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.525 -5.491 0.378 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.854 -7.249 0.044 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.520 -5.521 1.317 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.311 -6.565 1.132 1.00 0.00 N ATOM 0 H HIS X 154 -0.952 -6.259 0.031 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.872 -8.693 -0.866 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.608 -6.010 -2.118 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.497 -7.505 -2.334 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.781 -4.798 0.291 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.294 -8.144 -0.369 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.643 -4.791 2.103 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.119 -6.814 1.702 1.00 0.00 H new ATOM 729 N SER X 155 -1.248 -8.850 -3.508 1.00 0.00 N ATOM 730 CA SER X 155 -0.685 -9.013 -4.861 1.00 0.00 C ATOM 731 C SER X 155 -0.869 -7.686 -5.588 1.00 0.00 C ATOM 732 O SER X 155 0.034 -7.153 -6.210 1.00 0.00 O ATOM 733 CB SER X 155 -1.460 -10.074 -5.644 1.00 0.00 C ATOM 734 OG SER X 155 -1.554 -11.286 -4.926 1.00 0.00 O ATOM 0 H SER X 155 -1.910 -9.578 -3.240 1.00 0.00 H new ATOM 0 HA SER X 155 0.361 -9.311 -4.787 1.00 0.00 H new ATOM 0 HB2 SER X 155 -2.461 -9.704 -5.866 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.967 -10.254 -6.599 1.00 0.00 H new ATOM 0 HG SER X 155 -1.168 -11.168 -4.033 1.00 0.00 H new ATOM 740 N GLU X 156 -2.086 -7.187 -5.477 1.00 0.00 N ATOM 741 CA GLU X 156 -2.518 -5.920 -6.052 1.00 0.00 C ATOM 742 C GLU X 156 -1.642 -4.745 -5.582 1.00 0.00 C ATOM 743 O GLU X 156 -1.204 -3.920 -6.383 1.00 0.00 O ATOM 744 CB GLU X 156 -3.971 -5.721 -5.613 1.00 0.00 C ATOM 745 CG GLU X 156 -4.644 -4.432 -6.040 1.00 0.00 C ATOM 746 CD GLU X 156 -6.095 -4.374 -5.547 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.481 -5.301 -4.785 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.844 -3.535 -6.073 1.00 0.00 O ATOM 0 H GLU X 156 -2.828 -7.666 -4.968 1.00 0.00 H new ATOM 0 HA GLU X 156 -2.426 -5.946 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.559 -6.555 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -4.008 -5.779 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -4.089 -3.581 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.623 -4.350 -7.127 1.00 0.00 H new ATOM 755 N CYS X 157 -1.389 -4.691 -4.279 1.00 0.00 N ATOM 756 CA CYS X 157 -0.592 -3.640 -3.667 1.00 0.00 C ATOM 757 C CYS X 157 0.855 -3.612 -4.140 1.00 0.00 C ATOM 758 O CYS X 157 1.524 -2.588 -4.016 1.00 0.00 O ATOM 759 CB CYS X 157 -0.685 -3.765 -2.155 1.00 0.00 C ATOM 760 SG CYS X 157 -2.339 -3.451 -1.637 1.00 0.00 S ATOM 0 H CYS X 157 -1.735 -5.383 -3.614 1.00 0.00 H new ATOM 0 HA CYS X 157 -1.006 -2.684 -3.987 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.379 -4.764 -1.843 1.00 0.00 H new ATOM 0 HB3 CYS X 157 -0.004 -3.059 -1.679 1.00 0.00 H new ATOM 0 HG CYS X 157 -2.325 -2.781 -0.523 1.00 0.00 H new ATOM 765 N ARG X 158 1.339 -4.718 -4.696 1.00 0.00 N ATOM 766 CA ARG X 158 2.721 -4.739 -5.223 1.00 0.00 C ATOM 767 C ARG X 158 2.927 -3.611 -6.236 1.00 0.00 C ATOM 768 O ARG X 158 4.032 -3.129 -6.411 1.00 0.00 O ATOM 769 CB ARG X 158 3.080 -6.055 -5.909 1.00 0.00 C ATOM 770 CG ARG X 158 3.156 -7.253 -4.992 1.00 0.00 C ATOM 771 CD ARG X 158 3.420 -8.503 -5.805 1.00 0.00 C ATOM 772 NE ARG X 158 4.715 -8.474 -6.485 1.00 0.00 N ATOM 773 CZ ARG X 158 5.109 -9.389 -7.353 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.328 -10.391 -7.648 1.00 0.00 N ATOM 775 NH2 ARG X 158 6.274 -9.296 -7.930 1.00 0.00 N ATOM 0 H ARG X 158 0.823 -5.592 -4.797 1.00 0.00 H new ATOM 0 HA ARG X 158 3.369 -4.612 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.341 -6.256 -6.685 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.042 -5.937 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG X 158 3.949 -7.111 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.223 -7.358 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.378 -9.373 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG X 158 2.629 -8.623 -6.545 1.00 0.00 H new ATOM 0 HE ARG X 158 5.350 -7.703 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG X 158 3.411 -10.469 -7.208 1.00 0.00 H new ATOM 0 HH12 ARG X 158 4.634 -11.096 -8.318 1.00 0.00 H new ATOM 0 HH21 ARG X 158 6.890 -8.512 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG X 158 6.570 -10.007 -8.599 1.00 0.00 H new ATOM 789 N SER X 159 1.859 -3.205 -6.906 1.00 0.00 N ATOM 790 CA SER X 159 1.923 -2.115 -7.885 1.00 0.00 C ATOM 791 C SER X 159 2.481 -0.820 -7.273 1.00 0.00 C ATOM 792 O SER X 159 3.251 -0.105 -7.900 1.00 0.00 O ATOM 793 CB SER X 159 0.530 -1.852 -8.462 1.00 0.00 C ATOM 794 OG SER X 159 -0.389 -1.494 -7.441 1.00 0.00 O ATOM 0 H SER X 159 0.931 -3.612 -6.793 1.00 0.00 H new ATOM 0 HA SER X 159 2.603 -2.427 -8.678 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.585 -1.054 -9.202 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.174 -2.743 -8.980 1.00 0.00 H new ATOM 0 HG SER X 159 -0.732 -2.305 -7.010 1.00 0.00 H new ATOM 800 N LEU X 160 2.075 -0.533 -6.042 1.00 0.00 N ATOM 801 CA LEU X 160 2.493 0.668 -5.309 1.00 0.00 C ATOM 802 C LEU X 160 3.946 0.646 -4.818 1.00 0.00 C ATOM 803 O LEU X 160 4.408 1.605 -4.189 1.00 0.00 O ATOM 804 CB LEU X 160 1.588 0.816 -4.077 1.00 0.00 C ATOM 805 CG LEU X 160 0.077 0.877 -4.333 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.624 1.116 -3.020 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.282 1.977 -5.307 1.00 0.00 C ATOM 0 H LEU X 160 1.439 -1.131 -5.514 1.00 0.00 H new ATOM 0 HA LEU X 160 2.410 1.498 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.786 -0.021 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.880 1.723 -3.548 1.00 0.00 H new ATOM 0 HG LEU X 160 -0.239 -0.069 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.700 1.162 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.397 0.301 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.282 2.058 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.361 1.988 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.036 2.938 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.220 1.799 -6.258 1.00 0.00 H new ATOM 819 N ILE X 161 4.665 -0.436 -5.062 1.00 0.00 N ATOM 820 CA ILE X 161 6.055 -0.543 -4.605 1.00 0.00 C ATOM 821 C ILE X 161 6.985 0.266 -5.502 1.00 0.00 C ATOM 822 O ILE X 161 7.380 -0.158 -6.583 1.00 0.00 O ATOM 823 CB ILE X 161 6.498 -2.013 -4.536 1.00 0.00 C ATOM 824 CG1 ILE X 161 5.556 -2.762 -3.574 1.00 0.00 C ATOM 825 CG2 ILE X 161 7.964 -2.101 -4.034 1.00 0.00 C ATOM 826 CD1 ILE X 161 5.857 -4.224 -3.407 1.00 0.00 C ATOM 0 H ILE X 161 4.320 -1.251 -5.569 1.00 0.00 H new ATOM 0 HA ILE X 161 6.113 -0.128 -3.599 1.00 0.00 H new ATOM 0 HB ILE X 161 6.449 -2.467 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE X 161 5.602 -2.282 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE X 161 4.533 -2.655 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.271 -3.146 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE X 161 8.617 -1.561 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.036 -1.658 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE X 161 5.142 -4.666 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE X 161 5.781 -4.724 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE X 161 6.867 -4.345 -3.014 1.00 0.00 H new ATOM 838 N GLN X 162 7.335 1.440 -5.011 1.00 0.00 N ATOM 839 CA GLN X 162 8.207 2.377 -5.711 1.00 0.00 C ATOM 840 C GLN X 162 9.628 2.453 -5.137 1.00 0.00 C ATOM 841 O GLN X 162 10.343 3.416 -5.388 1.00 0.00 O ATOM 842 CB GLN X 162 7.544 3.762 -5.693 1.00 0.00 C ATOM 843 CG GLN X 162 7.307 4.324 -4.288 1.00 0.00 C ATOM 844 CD GLN X 162 6.630 5.675 -4.317 1.00 0.00 C ATOM 845 OE1 GLN X 162 7.157 6.637 -4.850 1.00 0.00 O ATOM 846 NE2 GLN X 162 5.452 5.748 -3.753 1.00 0.00 N ATOM 0 H GLN X 162 7.019 1.779 -4.102 1.00 0.00 H new ATOM 0 HA GLN X 162 8.329 2.013 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.169 4.459 -6.251 1.00 0.00 H new ATOM 0 HB3 GLN X 162 6.589 3.702 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.694 3.625 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN X 162 8.261 4.409 -3.768 1.00 0.00 H new ATOM 0 HE21 GLN X 162 5.043 4.921 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN X 162 4.942 6.631 -3.749 1.00 0.00 H new ATOM 855 N LEU X 163 10.044 1.458 -4.356 1.00 0.00 N ATOM 856 CA LEU X 163 11.388 1.498 -3.769 1.00 0.00 C ATOM 857 C LEU X 163 12.082 0.113 -3.777 1.00 0.00 C ATOM 858 O LEU X 163 11.431 -0.930 -3.847 1.00 0.00 O ATOM 859 CB LEU X 163 11.274 2.091 -2.351 1.00 0.00 C ATOM 860 CG LEU X 163 12.539 2.305 -1.506 1.00 0.00 C ATOM 861 CD1 LEU X 163 13.499 3.273 -2.170 1.00 0.00 C ATOM 862 CD2 LEU X 163 12.135 2.877 -0.163 1.00 0.00 C ATOM 0 H LEU X 163 9.491 0.635 -4.118 1.00 0.00 H new ATOM 0 HA LEU X 163 12.030 2.134 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU X 163 10.777 3.057 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU X 163 10.609 1.443 -1.781 1.00 0.00 H new ATOM 0 HG LEU X 163 13.040 1.344 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU X 163 14.381 3.399 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU X 163 13.798 2.880 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU X 163 13.009 4.237 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU X 163 13.024 3.034 0.448 1.00 0.00 H new ATOM 0 HD22 LEU X 163 11.624 3.828 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU X 163 11.466 2.181 0.343 1.00 0.00 H new ATOM 874 N ASP X 164 13.409 0.159 -3.725 1.00 0.00 N ATOM 875 CA ASP X 164 14.330 -0.996 -3.759 1.00 0.00 C ATOM 876 C ASP X 164 14.222 -2.170 -2.780 1.00 0.00 C ATOM 877 O ASP X 164 13.495 -2.141 -1.794 1.00 0.00 O ATOM 878 CB ASP X 164 15.753 -0.415 -3.616 1.00 0.00 C ATOM 879 CG ASP X 164 16.006 0.257 -2.241 1.00 0.00 C ATOM 880 OD1 ASP X 164 15.274 -0.026 -1.260 1.00 0.00 O ATOM 881 OD2 ASP X 164 16.837 1.180 -2.241 1.00 0.00 O ATOM 0 H ASP X 164 13.908 1.046 -3.654 1.00 0.00 H new ATOM 0 HA ASP X 164 14.048 -1.481 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP X 164 16.480 -1.214 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP X 164 15.920 0.317 -4.406 1.00 0.00 H new ATOM 886 N CYS X 165 14.991 -3.213 -3.081 1.00 0.00 N ATOM 887 CA CYS X 165 15.086 -4.397 -2.259 1.00 0.00 C ATOM 888 C CYS X 165 16.499 -4.388 -1.657 1.00 0.00 C ATOM 889 O CYS X 165 17.477 -4.716 -2.323 1.00 0.00 O ATOM 890 CB CYS X 165 14.860 -5.646 -3.107 1.00 0.00 C ATOM 891 SG CYS X 165 14.941 -7.196 -2.211 1.00 0.00 S ATOM 0 H CYS X 165 15.572 -3.251 -3.919 1.00 0.00 H new ATOM 0 HA CYS X 165 14.330 -4.405 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS X 165 13.883 -5.571 -3.584 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.604 -5.665 -3.904 1.00 0.00 H new ATOM 0 HG CYS X 165 13.779 -7.458 -1.691 1.00 0.00 H new ATOM 896 N ARG X 166 16.573 -3.970 -0.406 1.00 0.00 N ATOM 897 CA ARG X 166 17.846 -3.908 0.329 1.00 0.00 C ATOM 898 C ARG X 166 18.509 -5.281 0.400 1.00 0.00 C ATOM 899 O ARG X 166 19.717 -5.263 0.708 1.00 0.00 O ATOM 900 CB ARG X 166 17.623 -3.422 1.752 1.00 0.00 C ATOM 901 CG ARG X 166 17.089 -2.010 1.878 1.00 0.00 C ATOM 902 CD ARG X 166 16.788 -1.695 3.346 1.00 0.00 C ATOM 903 NE ARG X 166 17.992 -1.722 4.181 1.00 0.00 N ATOM 904 CZ ARG X 166 18.359 -2.751 4.932 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.639 -3.839 4.987 1.00 0.00 N ATOM 906 NH2 ARG X 166 19.457 -2.682 5.633 1.00 0.00 N ATOM 907 OXT ARG X 166 17.718 -6.228 0.593 1.00 0.00 O ATOM 0 H ARG X 166 15.765 -3.664 0.135 1.00 0.00 H new ATOM 0 HA ARG X 166 18.491 -3.214 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG X 166 16.928 -4.101 2.245 1.00 0.00 H new ATOM 0 HB3 ARG X 166 18.568 -3.485 2.292 1.00 0.00 H new ATOM 0 HG2 ARG X 166 17.818 -1.300 1.487 1.00 0.00 H new ATOM 0 HG3 ARG X 166 16.184 -1.900 1.280 1.00 0.00 H new ATOM 0 HD2 ARG X 166 16.323 -0.712 3.416 1.00 0.00 H new ATOM 0 HD3 ARG X 166 16.067 -2.417 3.729 1.00 0.00 H new ATOM 0 HE ARG X 166 18.587 -0.894 4.185 1.00 0.00 H new ATOM 0 HH11 ARG X 166 16.777 -3.908 4.446 1.00 0.00 H new ATOM 0 HH12 ARG X 166 17.939 -4.620 5.571 1.00 0.00 H new ATOM 0 HH21 ARG X 166 20.030 -1.838 5.602 1.00 0.00 H new ATOM 0 HH22 ARG X 166 19.743 -3.472 6.212 1.00 0.00 H new