USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 311 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: A 131 THR OG1 : rot 78:sc= 1.31 USER MOD Set 1.2: A 148 THR OG1 : rot -26:sc= 0.405 USER MOD Set 2.1: A 105 THR OG1 : rot 160:sc= -0.731 USER MOD Set 2.2: A 119 THR OG1 : rot 146:sc= 0.717 USER MOD Single : A 100 MET CE :methyl 158:sc= -0.0528 (180deg=-0.34) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.104 USER MOD Single : A 117 THR OG1 : rot 24:sc= 0.461 USER MOD Single : A 122 LYS NZ :NH3+ -126:sc= 1.21 (180deg=-0.206) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 75:sc= 0.639 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= -0.157 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 49:sc= 0.00127 USER MOD Single : A 178 ASN : amide:sc= -2.26 K(o=-2.3,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.109 -1.021 0.003 1.00 0.00 N ATOM 2 CA MET A 100 1.685 -1.359 -1.293 1.00 0.00 C ATOM 3 C MET A 100 3.118 -1.858 -1.138 1.00 0.00 C ATOM 4 O MET A 100 3.751 -1.648 -0.102 1.00 0.00 O ATOM 5 CB MET A 100 1.654 -0.143 -2.221 1.00 0.00 C ATOM 6 CG MET A 100 2.495 1.022 -1.725 1.00 0.00 C ATOM 7 SD MET A 100 1.875 2.618 -2.290 1.00 0.00 S ATOM 8 CE MET A 100 0.393 2.776 -1.297 1.00 0.00 C ATOM 0 HA MET A 100 1.087 -2.158 -1.731 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.007 -0.441 -3.208 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.622 0.188 -2.338 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.517 1.011 -0.635 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.522 0.894 -2.066 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.113 3.827 -1.226 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.418 2.215 -1.762 1.00 0.00 H new ATOM 0 HE3 MET A 100 0.581 2.382 -0.298 1.00 0.00 H new ATOM 18 N LEU A 101 3.624 -2.520 -2.173 1.00 0.00 N ATOM 19 CA LEU A 101 4.983 -3.050 -2.151 1.00 0.00 C ATOM 20 C LEU A 101 6.009 -1.921 -2.192 1.00 0.00 C ATOM 21 O LEU A 101 5.990 -1.083 -3.094 1.00 0.00 O ATOM 22 CB LEU A 101 5.202 -3.996 -3.333 1.00 0.00 C ATOM 23 CG LEU A 101 6.148 -5.172 -3.085 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.728 -5.675 -4.398 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.260 -4.769 -2.128 1.00 0.00 C ATOM 0 H LEU A 101 3.114 -2.702 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 101 5.115 -3.603 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.234 -4.393 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.588 -3.415 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 101 5.579 -5.982 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.399 -6.512 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.919 -6.003 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.282 -4.871 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.923 -5.618 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.827 -3.943 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.827 -4.457 -1.178 1.00 0.00 H new ATOM 37 N LYS A 102 6.905 -1.907 -1.212 1.00 0.00 N ATOM 38 CA LYS A 102 7.942 -0.884 -1.137 1.00 0.00 C ATOM 39 C LYS A 102 9.304 -1.510 -0.856 1.00 0.00 C ATOM 40 O LYS A 102 9.447 -2.330 0.052 1.00 0.00 O ATOM 41 CB LYS A 102 7.603 0.136 -0.048 1.00 0.00 C ATOM 42 CG LYS A 102 6.373 0.971 -0.358 1.00 0.00 C ATOM 43 CD LYS A 102 5.327 0.851 0.738 1.00 0.00 C ATOM 44 CE LYS A 102 5.746 1.603 1.993 1.00 0.00 C ATOM 45 NZ LYS A 102 4.584 2.241 2.671 1.00 0.00 N ATOM 0 H LYS A 102 6.934 -2.593 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 102 7.987 -0.376 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.447 -0.389 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.456 0.800 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.661 2.016 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.945 0.651 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.375 1.242 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.169 -0.200 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.236 0.915 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.478 2.367 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.911 2.743 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.132 2.916 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.897 1.510 2.944 1.00 0.00 H new ATOM 59 N CYS A 103 10.303 -1.118 -1.640 1.00 0.00 N ATOM 60 CA CYS A 103 11.655 -1.640 -1.475 1.00 0.00 C ATOM 61 C CYS A 103 12.684 -0.515 -1.546 1.00 0.00 C ATOM 62 O CYS A 103 12.366 0.607 -1.941 1.00 0.00 O ATOM 63 CB CYS A 103 11.954 -2.688 -2.549 1.00 0.00 C ATOM 64 SG CYS A 103 11.507 -4.388 -2.073 1.00 0.00 S ATOM 0 H CYS A 103 10.202 -0.441 -2.396 1.00 0.00 H new ATOM 0 HA CYS A 103 11.720 -2.108 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.416 -2.424 -3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.017 -2.656 -2.787 1.00 0.00 H new ATOM 69 N TYR A 104 13.917 -0.824 -1.160 1.00 0.00 N ATOM 70 CA TYR A 104 14.992 0.160 -1.177 1.00 0.00 C ATOM 71 C TYR A 104 15.501 0.387 -2.597 1.00 0.00 C ATOM 72 O TYR A 104 16.206 -0.452 -3.159 1.00 0.00 O ATOM 73 CB TYR A 104 16.143 -0.295 -0.278 1.00 0.00 C ATOM 74 CG TYR A 104 15.877 -0.089 1.197 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.063 1.154 1.789 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.440 -1.137 1.997 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.823 1.347 3.136 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.196 -0.953 3.344 1.00 0.00 C ATOM 79 CZ TYR A 104 15.388 0.291 3.909 1.00 0.00 C ATOM 80 OH TYR A 104 15.147 0.478 5.251 1.00 0.00 O ATOM 0 H TYR A 104 14.196 -1.748 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 104 14.594 1.101 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.339 -1.352 -0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.046 0.249 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.401 1.984 1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.288 -2.112 1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.975 2.319 3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.857 -1.779 3.952 1.00 0.00 H new ATOM 0 HH TYR A 104 14.846 -0.365 5.650 1.00 0.00 H new ATOM 90 N THR A 105 15.138 1.529 -3.174 1.00 0.00 N ATOM 91 CA THR A 105 15.556 1.868 -4.528 1.00 0.00 C ATOM 92 C THR A 105 15.997 3.324 -4.620 1.00 0.00 C ATOM 93 O THR A 105 15.241 4.234 -4.278 1.00 0.00 O ATOM 94 CB THR A 105 14.425 1.621 -5.544 1.00 0.00 C ATOM 95 OG1 THR A 105 13.499 2.713 -5.521 1.00 0.00 O ATOM 96 CG2 THR A 105 13.694 0.323 -5.234 1.00 0.00 C ATOM 0 H THR A 105 14.555 2.235 -2.724 1.00 0.00 H new ATOM 0 HA THR A 105 16.399 1.220 -4.769 1.00 0.00 H new ATOM 0 HB THR A 105 14.868 1.542 -6.537 1.00 0.00 H new ATOM 0 HG1 THR A 105 12.983 2.722 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.900 0.169 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.396 -0.510 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.262 0.378 -4.235 1.00 0.00 H new ATOM 104 N CYS A 106 17.223 3.538 -5.083 1.00 0.00 N ATOM 105 CA CYS A 106 17.765 4.885 -5.220 1.00 0.00 C ATOM 106 C CYS A 106 17.319 5.520 -6.534 1.00 0.00 C ATOM 107 O CYS A 106 16.535 4.937 -7.284 1.00 0.00 O ATOM 108 CB CYS A 106 19.293 4.852 -5.150 1.00 0.00 C ATOM 109 SG CYS A 106 20.063 3.640 -6.272 1.00 0.00 S ATOM 0 H CYS A 106 17.861 2.796 -5.370 1.00 0.00 H new ATOM 0 HA CYS A 106 17.383 5.489 -4.397 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.678 5.844 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.594 4.627 -4.127 1.00 0.00 H new ATOM 0 HG CYS A 106 21.356 3.688 -6.142 1.00 0.00 H new ATOM 262 N THR A 117 17.180 3.882 -0.609 1.00 0.00 N ATOM 263 CA THR A 117 16.119 4.724 -0.073 1.00 0.00 C ATOM 264 C THR A 117 14.756 4.060 -0.231 1.00 0.00 C ATOM 265 O THR A 117 14.530 3.304 -1.177 1.00 0.00 O ATOM 266 CB THR A 117 16.090 6.100 -0.764 1.00 0.00 C ATOM 267 OG1 THR A 117 17.421 6.506 -1.104 1.00 0.00 O ATOM 268 CG2 THR A 117 15.450 7.145 0.136 1.00 0.00 C ATOM 0 HA THR A 117 16.332 4.862 0.987 1.00 0.00 H new ATOM 0 HB THR A 117 15.494 6.013 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.994 5.715 -1.184 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.441 8.108 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.427 6.848 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.022 7.229 1.060 1.00 0.00 H new ATOM 276 N ILE A 118 13.852 4.345 0.699 1.00 0.00 N ATOM 277 CA ILE A 118 12.510 3.776 0.660 1.00 0.00 C ATOM 278 C ILE A 118 11.724 4.303 -0.535 1.00 0.00 C ATOM 279 O ILE A 118 11.525 5.509 -0.680 1.00 0.00 O ATOM 280 CB ILE A 118 11.729 4.087 1.951 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.487 3.559 3.171 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.335 3.482 1.885 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.776 3.814 4.481 1.00 0.00 C ATOM 0 H ILE A 118 14.024 4.967 1.489 1.00 0.00 H new ATOM 0 HA ILE A 118 12.628 2.696 0.567 1.00 0.00 H new ATOM 0 HB ILE A 118 11.631 5.168 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.644 2.487 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.472 4.024 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.795 3.710 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.797 3.901 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.413 2.401 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.371 3.413 5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.643 4.887 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.801 3.326 4.467 1.00 0.00 H new ATOM 295 N THR A 119 11.276 3.389 -1.391 1.00 0.00 N ATOM 296 CA THR A 119 10.510 3.760 -2.574 1.00 0.00 C ATOM 297 C THR A 119 9.294 2.857 -2.748 1.00 0.00 C ATOM 298 O THR A 119 9.351 1.662 -2.458 1.00 0.00 O ATOM 299 CB THR A 119 11.374 3.689 -3.848 1.00 0.00 C ATOM 300 OG1 THR A 119 12.391 4.697 -3.807 1.00 0.00 O ATOM 301 CG2 THR A 119 10.520 3.874 -5.092 1.00 0.00 C ATOM 0 H THR A 119 11.431 2.386 -1.286 1.00 0.00 H new ATOM 0 HA THR A 119 10.178 4.787 -2.425 1.00 0.00 H new ATOM 0 HB THR A 119 11.840 2.705 -3.890 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.203 4.360 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.152 3.820 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.766 3.088 -5.136 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.029 4.847 -5.055 1.00 0.00 H new ATOM 309 N ARG A 120 8.197 3.436 -3.223 1.00 0.00 N ATOM 310 CA ARG A 120 6.966 2.683 -3.435 1.00 0.00 C ATOM 311 C ARG A 120 6.924 2.096 -4.843 1.00 0.00 C ATOM 312 O ARG A 120 7.052 2.817 -5.832 1.00 0.00 O ATOM 313 CB ARG A 120 5.748 3.580 -3.208 1.00 0.00 C ATOM 314 CG ARG A 120 5.926 4.573 -2.071 1.00 0.00 C ATOM 315 CD ARG A 120 6.240 5.967 -2.592 1.00 0.00 C ATOM 316 NE ARG A 120 7.285 6.622 -1.810 1.00 0.00 N ATOM 317 CZ ARG A 120 7.799 7.807 -2.117 1.00 0.00 C ATOM 318 NH1 ARG A 120 7.368 8.464 -3.184 1.00 0.00 N ATOM 319 NH2 ARG A 120 8.747 8.338 -1.355 1.00 0.00 N ATOM 0 H ARG A 120 8.135 4.424 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 120 6.943 1.863 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.534 4.127 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.880 2.954 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.018 4.605 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.731 4.238 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.554 5.902 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.335 6.575 -2.569 1.00 0.00 H new ATOM 0 HE ARG A 120 7.640 6.143 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.639 8.060 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.765 9.374 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.081 7.836 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.141 9.248 -1.592 1.00 0.00 H new ATOM 333 N CYS A 121 6.744 0.782 -4.925 1.00 0.00 N ATOM 334 CA CYS A 121 6.686 0.096 -6.210 1.00 0.00 C ATOM 335 C CYS A 121 5.383 0.414 -6.937 1.00 0.00 C ATOM 336 O CYS A 121 4.534 1.144 -6.425 1.00 0.00 O ATOM 337 CB CYS A 121 6.817 -1.415 -6.012 1.00 0.00 C ATOM 338 SG CYS A 121 8.445 -1.946 -5.391 1.00 0.00 S ATOM 0 H CYS A 121 6.636 0.171 -4.116 1.00 0.00 H new ATOM 0 HA CYS A 121 7.518 0.449 -6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.048 -1.747 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.622 -1.913 -6.962 1.00 0.00 H new ATOM 343 N LYS A 122 5.230 -0.139 -8.136 1.00 0.00 N ATOM 344 CA LYS A 122 4.031 0.082 -8.935 1.00 0.00 C ATOM 345 C LYS A 122 2.956 -0.947 -8.600 1.00 0.00 C ATOM 346 O LYS A 122 3.232 -2.006 -8.035 1.00 0.00 O ATOM 347 CB LYS A 122 4.368 0.018 -10.426 1.00 0.00 C ATOM 348 CG LYS A 122 5.786 0.454 -10.749 1.00 0.00 C ATOM 349 CD LYS A 122 6.049 1.879 -10.292 1.00 0.00 C ATOM 350 CE LYS A 122 7.266 1.958 -9.384 1.00 0.00 C ATOM 351 NZ LYS A 122 7.291 3.222 -8.597 1.00 0.00 N ATOM 0 H LYS A 122 5.923 -0.744 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 122 3.645 1.074 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.221 -1.003 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.669 0.649 -10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.494 -0.220 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.955 0.378 -11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.200 2.519 -11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.175 2.260 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.267 1.107 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.173 1.887 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.200 3.705 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.515 3.840 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.175 3.004 -7.587 1.00 0.00 H new ATOM 365 N PRO A 123 1.703 -0.633 -8.958 1.00 0.00 N ATOM 366 CA PRO A 123 0.562 -1.519 -8.708 1.00 0.00 C ATOM 367 C PRO A 123 0.600 -2.773 -9.575 1.00 0.00 C ATOM 368 O PRO A 123 0.099 -3.825 -9.182 1.00 0.00 O ATOM 369 CB PRO A 123 -0.647 -0.653 -9.072 1.00 0.00 C ATOM 370 CG PRO A 123 -0.120 0.342 -10.046 1.00 0.00 C ATOM 371 CD PRO A 123 1.302 0.611 -9.636 1.00 0.00 C ATOM 0 HA PRO A 123 0.548 -1.884 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.445 -1.252 -9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -1.063 -0.163 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.166 -0.046 -11.064 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.711 1.257 -10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.936 0.821 -10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.372 1.472 -8.971 1.00 0.00 H new ATOM 379 N GLU A 124 1.198 -2.651 -10.757 1.00 0.00 N ATOM 380 CA GLU A 124 1.300 -3.775 -11.680 1.00 0.00 C ATOM 381 C GLU A 124 2.379 -4.755 -11.226 1.00 0.00 C ATOM 382 O GLU A 124 2.332 -5.941 -11.553 1.00 0.00 O ATOM 383 CB GLU A 124 1.609 -3.277 -13.093 1.00 0.00 C ATOM 384 CG GLU A 124 0.903 -1.980 -13.449 1.00 0.00 C ATOM 385 CD GLU A 124 -0.599 -2.063 -13.262 1.00 0.00 C ATOM 386 OE1 GLU A 124 -1.065 -1.883 -12.117 1.00 0.00 O ATOM 387 OE2 GLU A 124 -1.309 -2.308 -14.260 1.00 0.00 O ATOM 0 H GLU A 124 1.618 -1.786 -11.097 1.00 0.00 H new ATOM 0 HA GLU A 124 0.342 -4.294 -11.688 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.685 -3.134 -13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.323 -4.046 -13.811 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.298 -1.174 -12.831 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.123 -1.724 -14.485 1.00 0.00 H new ATOM 394 N ASP A 125 3.349 -4.250 -10.473 1.00 0.00 N ATOM 395 CA ASP A 125 4.440 -5.079 -9.973 1.00 0.00 C ATOM 396 C ASP A 125 3.941 -6.046 -8.904 1.00 0.00 C ATOM 397 O ASP A 125 2.753 -6.076 -8.583 1.00 0.00 O ATOM 398 CB ASP A 125 5.556 -4.202 -9.405 1.00 0.00 C ATOM 399 CG ASP A 125 6.587 -3.826 -10.451 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.485 -4.326 -11.591 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.494 -3.030 -10.131 1.00 0.00 O ATOM 0 H ASP A 125 3.403 -3.270 -10.195 1.00 0.00 H new ATOM 0 HA ASP A 125 4.834 -5.660 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.122 -3.295 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.048 -4.729 -8.588 1.00 0.00 H new ATOM 406 N THR A 126 4.858 -6.838 -8.356 1.00 0.00 N ATOM 407 CA THR A 126 4.512 -7.808 -7.325 1.00 0.00 C ATOM 408 C THR A 126 5.687 -8.056 -6.386 1.00 0.00 C ATOM 409 O THR A 126 5.510 -8.196 -5.177 1.00 0.00 O ATOM 410 CB THR A 126 4.069 -9.149 -7.941 1.00 0.00 C ATOM 411 OG1 THR A 126 5.095 -9.655 -8.802 1.00 0.00 O ATOM 412 CG2 THR A 126 2.777 -8.983 -8.726 1.00 0.00 C ATOM 0 H THR A 126 5.846 -6.826 -8.609 1.00 0.00 H new ATOM 0 HA THR A 126 3.682 -7.385 -6.759 1.00 0.00 H new ATOM 0 HB THR A 126 3.894 -9.856 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.807 -10.508 -9.188 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.484 -9.943 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.991 -8.626 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.929 -8.261 -9.529 1.00 0.00 H new ATOM 420 N ALA A 127 6.889 -8.110 -6.952 1.00 0.00 N ATOM 421 CA ALA A 127 8.094 -8.339 -6.165 1.00 0.00 C ATOM 422 C ALA A 127 9.144 -7.269 -6.445 1.00 0.00 C ATOM 423 O ALA A 127 8.925 -6.366 -7.253 1.00 0.00 O ATOM 424 CB ALA A 127 8.658 -9.722 -6.453 1.00 0.00 C ATOM 0 H ALA A 127 7.053 -7.998 -7.952 1.00 0.00 H new ATOM 0 HA ALA A 127 7.825 -8.281 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.558 -9.879 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.916 -10.478 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.905 -9.801 -7.512 1.00 0.00 H new ATOM 430 N CYS A 128 10.285 -7.376 -5.772 1.00 0.00 N ATOM 431 CA CYS A 128 11.369 -6.417 -5.948 1.00 0.00 C ATOM 432 C CYS A 128 12.559 -7.064 -6.651 1.00 0.00 C ATOM 433 O CYS A 128 12.637 -8.287 -6.762 1.00 0.00 O ATOM 434 CB CYS A 128 11.806 -5.856 -4.593 1.00 0.00 C ATOM 435 SG CYS A 128 10.460 -5.086 -3.638 1.00 0.00 S ATOM 0 H CYS A 128 10.483 -8.117 -5.100 1.00 0.00 H new ATOM 0 HA CYS A 128 11.002 -5.601 -6.570 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.242 -6.661 -4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.592 -5.118 -4.754 1.00 0.00 H new ATOM 440 N MET A 129 13.483 -6.234 -7.123 1.00 0.00 N ATOM 441 CA MET A 129 14.670 -6.725 -7.814 1.00 0.00 C ATOM 442 C MET A 129 15.917 -5.978 -7.351 1.00 0.00 C ATOM 443 O MET A 129 15.842 -4.823 -6.932 1.00 0.00 O ATOM 444 CB MET A 129 14.504 -6.575 -9.327 1.00 0.00 C ATOM 445 CG MET A 129 15.013 -7.771 -10.116 1.00 0.00 C ATOM 446 SD MET A 129 14.708 -7.616 -11.886 1.00 0.00 S ATOM 447 CE MET A 129 16.148 -6.681 -12.397 1.00 0.00 C ATOM 0 H MET A 129 13.433 -5.219 -7.040 1.00 0.00 H new ATOM 0 HA MET A 129 14.790 -7.781 -7.572 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.449 -6.422 -9.555 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.034 -5.681 -9.656 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.083 -7.886 -9.944 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.532 -8.677 -9.746 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.105 -6.504 -13.472 1.00 0.00 H new ATOM 0 HE2 MET A 129 16.166 -5.726 -11.873 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.051 -7.243 -12.158 1.00 0.00 H new ATOM 457 N THR A 130 17.064 -6.646 -7.428 1.00 0.00 N ATOM 458 CA THR A 130 18.326 -6.046 -7.015 1.00 0.00 C ATOM 459 C THR A 130 19.457 -6.440 -7.959 1.00 0.00 C ATOM 460 O THR A 130 19.416 -7.498 -8.587 1.00 0.00 O ATOM 461 CB THR A 130 18.703 -6.461 -5.580 1.00 0.00 C ATOM 462 OG1 THR A 130 17.525 -6.557 -4.772 1.00 0.00 O ATOM 463 CG2 THR A 130 19.667 -5.459 -4.963 1.00 0.00 C ATOM 0 H THR A 130 17.144 -7.603 -7.773 1.00 0.00 H new ATOM 0 HA THR A 130 18.188 -4.965 -7.048 1.00 0.00 H new ATOM 0 HB THR A 130 19.193 -7.434 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.039 -7.377 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.919 -5.773 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.575 -5.410 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.199 -4.475 -4.932 1.00 0.00 H new ATOM 471 N THR A 131 20.467 -5.581 -8.055 1.00 0.00 N ATOM 472 CA THR A 131 21.609 -5.839 -8.924 1.00 0.00 C ATOM 473 C THR A 131 22.923 -5.649 -8.175 1.00 0.00 C ATOM 474 O THR A 131 23.459 -4.542 -8.111 1.00 0.00 O ATOM 475 CB THR A 131 21.596 -4.917 -10.157 1.00 0.00 C ATOM 476 OG1 THR A 131 20.248 -4.661 -10.564 1.00 0.00 O ATOM 477 CG2 THR A 131 22.369 -5.543 -11.309 1.00 0.00 C ATOM 0 H THR A 131 20.518 -4.701 -7.542 1.00 0.00 H new ATOM 0 HA THR A 131 21.528 -6.875 -9.254 1.00 0.00 H new ATOM 0 HB THR A 131 22.077 -3.977 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.849 -3.991 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.346 -4.874 -12.169 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.403 -5.709 -11.006 1.00 0.00 H new ATOM 0 HG23 THR A 131 21.913 -6.495 -11.578 1.00 0.00 H new ATOM 733 N THR A 148 22.261 -1.533 -8.785 1.00 0.00 N ATOM 734 CA THR A 148 20.966 -0.894 -8.978 1.00 0.00 C ATOM 735 C THR A 148 19.837 -1.765 -8.440 1.00 0.00 C ATOM 736 O THR A 148 19.838 -2.983 -8.626 1.00 0.00 O ATOM 737 CB THR A 148 20.703 -0.594 -10.466 1.00 0.00 C ATOM 738 OG1 THR A 148 21.246 -1.640 -11.280 1.00 0.00 O ATOM 739 CG2 THR A 148 21.318 0.738 -10.867 1.00 0.00 C ATOM 0 HA THR A 148 20.992 0.045 -8.425 1.00 0.00 H new ATOM 0 HB THR A 148 19.625 -0.538 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.988 -2.071 -10.807 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.119 0.928 -11.922 1.00 0.00 H new ATOM 0 HG22 THR A 148 20.882 1.536 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.395 0.706 -10.701 1.00 0.00 H new ATOM 747 N ARG A 149 18.875 -1.135 -7.774 1.00 0.00 N ATOM 748 CA ARG A 149 17.740 -1.855 -7.208 1.00 0.00 C ATOM 749 C ARG A 149 16.422 -1.277 -7.717 1.00 0.00 C ATOM 750 O ARG A 149 16.147 -0.090 -7.547 1.00 0.00 O ATOM 751 CB ARG A 149 17.780 -1.793 -5.680 1.00 0.00 C ATOM 752 CG ARG A 149 17.184 -3.018 -5.006 1.00 0.00 C ATOM 753 CD ARG A 149 17.704 -3.181 -3.587 1.00 0.00 C ATOM 754 NE ARG A 149 17.363 -4.485 -3.025 1.00 0.00 N ATOM 755 CZ ARG A 149 16.129 -4.837 -2.680 1.00 0.00 C ATOM 756 NH1 ARG A 149 15.125 -3.986 -2.839 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.898 -6.042 -2.175 1.00 0.00 N ATOM 0 H ARG A 149 18.859 -0.128 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 149 17.807 -2.896 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.814 -1.678 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.241 -0.906 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.097 -2.933 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.425 -3.908 -5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.787 -3.056 -3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.289 -2.395 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 149 18.113 -5.163 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 149 15.299 -3.059 -3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.179 -4.258 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 149 16.668 -6.699 -2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.950 -6.311 -1.911 1.00 0.00 H new ATOM 771 N SER A 150 15.613 -2.126 -8.343 1.00 0.00 N ATOM 772 CA SER A 150 14.326 -1.699 -8.880 1.00 0.00 C ATOM 773 C SER A 150 13.265 -2.774 -8.667 1.00 0.00 C ATOM 774 O SER A 150 13.581 -3.956 -8.524 1.00 0.00 O ATOM 775 CB SER A 150 14.453 -1.380 -10.371 1.00 0.00 C ATOM 776 OG SER A 150 14.996 -2.478 -11.083 1.00 0.00 O ATOM 0 H SER A 150 15.826 -3.113 -8.491 1.00 0.00 H new ATOM 0 HA SER A 150 14.018 -0.799 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.473 -1.128 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.089 -0.505 -10.506 1.00 0.00 H new ATOM 0 HG SER A 150 15.065 -2.249 -12.033 1.00 0.00 H new ATOM 782 N CYS A 151 12.004 -2.356 -8.647 1.00 0.00 N ATOM 783 CA CYS A 151 10.894 -3.281 -8.451 1.00 0.00 C ATOM 784 C CYS A 151 10.739 -4.207 -9.654 1.00 0.00 C ATOM 785 O CYS A 151 11.344 -3.986 -10.703 1.00 0.00 O ATOM 786 CB CYS A 151 9.594 -2.508 -8.218 1.00 0.00 C ATOM 787 SG CYS A 151 9.688 -1.283 -6.873 1.00 0.00 S ATOM 0 H CYS A 151 11.725 -1.382 -8.764 1.00 0.00 H new ATOM 0 HA CYS A 151 11.110 -3.889 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.317 -1.998 -9.141 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.797 -3.217 -7.994 1.00 0.00 H new ATOM 792 N SER A 152 9.925 -5.246 -9.493 1.00 0.00 N ATOM 793 CA SER A 152 9.693 -6.208 -10.564 1.00 0.00 C ATOM 794 C SER A 152 8.290 -6.798 -10.469 1.00 0.00 C ATOM 795 O SER A 152 7.600 -6.630 -9.463 1.00 0.00 O ATOM 796 CB SER A 152 10.734 -7.328 -10.506 1.00 0.00 C ATOM 797 OG SER A 152 10.550 -8.251 -11.565 1.00 0.00 O ATOM 0 H SER A 152 9.416 -5.443 -8.632 1.00 0.00 H new ATOM 0 HA SER A 152 9.785 -5.685 -11.516 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.735 -6.901 -10.561 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.661 -7.847 -9.550 1.00 0.00 H new ATOM 0 HG SER A 152 11.229 -8.956 -11.506 1.00 0.00 H new ATOM 803 N SER A 153 7.873 -7.491 -11.524 1.00 0.00 N ATOM 804 CA SER A 153 6.550 -8.103 -11.563 1.00 0.00 C ATOM 805 C SER A 153 6.657 -9.622 -11.662 1.00 0.00 C ATOM 806 O SER A 153 5.658 -10.314 -11.857 1.00 0.00 O ATOM 807 CB SER A 153 5.748 -7.559 -12.747 1.00 0.00 C ATOM 808 OG SER A 153 6.536 -7.522 -13.924 1.00 0.00 O ATOM 0 H SER A 153 8.432 -7.643 -12.363 1.00 0.00 H new ATOM 0 HA SER A 153 6.033 -7.852 -10.637 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.870 -8.183 -12.913 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.387 -6.557 -12.516 1.00 0.00 H new ATOM 0 HG SER A 153 6.000 -7.172 -14.666 1.00 0.00 H new ATOM 814 N SER A 154 7.877 -10.133 -11.527 1.00 0.00 N ATOM 815 CA SER A 154 8.117 -11.569 -11.605 1.00 0.00 C ATOM 816 C SER A 154 9.528 -11.910 -11.137 1.00 0.00 C ATOM 817 O SER A 154 10.477 -11.891 -11.923 1.00 0.00 O ATOM 818 CB SER A 154 7.908 -12.065 -13.037 1.00 0.00 C ATOM 819 OG SER A 154 8.405 -11.131 -13.979 1.00 0.00 O ATOM 0 H SER A 154 8.714 -9.574 -11.363 1.00 0.00 H new ATOM 0 HA SER A 154 7.405 -12.068 -10.948 1.00 0.00 H new ATOM 0 HB2 SER A 154 8.411 -13.023 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.846 -12.235 -13.215 1.00 0.00 H new ATOM 0 HG SER A 154 9.316 -10.868 -13.730 1.00 0.00 H new ATOM 825 N CYS A 155 9.660 -12.221 -9.852 1.00 0.00 N ATOM 826 CA CYS A 155 10.955 -12.566 -9.278 1.00 0.00 C ATOM 827 C CYS A 155 11.452 -13.903 -9.820 1.00 0.00 C ATOM 828 O CYS A 155 10.874 -14.953 -9.537 1.00 0.00 O ATOM 829 CB CYS A 155 10.859 -12.626 -7.752 1.00 0.00 C ATOM 830 SG CYS A 155 12.223 -13.534 -6.956 1.00 0.00 S ATOM 0 H CYS A 155 8.886 -12.241 -9.188 1.00 0.00 H new ATOM 0 HA CYS A 155 11.668 -11.792 -9.561 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.836 -11.609 -7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.915 -13.095 -7.476 1.00 0.00 H new ATOM 835 N VAL A 156 12.527 -13.856 -10.600 1.00 0.00 N ATOM 836 CA VAL A 156 13.103 -15.063 -11.181 1.00 0.00 C ATOM 837 C VAL A 156 14.607 -14.911 -11.384 1.00 0.00 C ATOM 838 O VAL A 156 15.054 -14.134 -12.227 1.00 0.00 O ATOM 839 CB VAL A 156 12.446 -15.405 -12.531 1.00 0.00 C ATOM 840 CG1 VAL A 156 11.041 -15.949 -12.318 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.422 -14.183 -13.436 1.00 0.00 C ATOM 0 H VAL A 156 13.017 -12.995 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 156 12.914 -15.874 -10.478 1.00 0.00 H new ATOM 0 HB VAL A 156 13.039 -16.178 -13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.592 -16.185 -13.283 1.00 0.00 H new ATOM 0 HG12 VAL A 156 11.089 -16.852 -11.709 1.00 0.00 H new ATOM 0 HG13 VAL A 156 10.434 -15.200 -11.809 1.00 0.00 H new ATOM 0 HG21 VAL A 156 11.954 -14.443 -14.386 1.00 0.00 H new ATOM 0 HG22 VAL A 156 11.853 -13.387 -12.957 1.00 0.00 H new ATOM 0 HG23 VAL A 156 13.442 -13.843 -13.615 1.00 0.00 H new ATOM 987 N LEU A 168 24.744 -10.605 -10.069 1.00 0.00 N ATOM 988 CA LEU A 168 23.929 -11.337 -9.105 1.00 0.00 C ATOM 989 C LEU A 168 22.598 -10.631 -8.870 1.00 0.00 C ATOM 990 O LEU A 168 22.551 -9.561 -8.261 1.00 0.00 O ATOM 991 CB LEU A 168 24.681 -11.488 -7.782 1.00 0.00 C ATOM 992 CG LEU A 168 25.623 -12.687 -7.678 1.00 0.00 C ATOM 993 CD1 LEU A 168 24.830 -13.982 -7.588 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.574 -12.723 -8.865 1.00 0.00 C ATOM 0 HA LEU A 168 23.726 -12.326 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.260 -10.581 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.949 -11.556 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 168 26.214 -12.583 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.517 -14.825 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 168 24.191 -13.957 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.213 -14.093 -8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.237 -13.583 -8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.000 -12.803 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.167 -11.808 -8.884 1.00 0.00 H new ATOM 1006 N ILE A 169 21.519 -11.236 -9.354 1.00 0.00 N ATOM 1007 CA ILE A 169 20.187 -10.667 -9.192 1.00 0.00 C ATOM 1008 C ILE A 169 19.522 -11.175 -7.918 1.00 0.00 C ATOM 1009 O ILE A 169 19.567 -12.367 -7.614 1.00 0.00 O ATOM 1010 CB ILE A 169 19.284 -10.997 -10.396 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.997 -10.653 -11.705 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.965 -10.245 -10.291 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.284 -11.859 -12.571 1.00 0.00 C ATOM 0 H ILE A 169 21.541 -12.120 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 169 20.312 -9.586 -9.127 1.00 0.00 H new ATOM 0 HB ILE A 169 19.071 -12.066 -10.390 1.00 0.00 H new ATOM 0 HG12 ILE A 169 19.385 -9.948 -12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.936 -10.148 -11.476 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.338 -10.489 -11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.453 -10.535 -9.373 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.158 -9.172 -10.276 1.00 0.00 H new ATOM 0 HD11 ILE A 169 20.790 -11.540 -13.482 1.00 0.00 H new ATOM 0 HD12 ILE A 169 20.922 -12.555 -12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 169 19.347 -12.352 -12.830 1.00 0.00 H new ATOM 1025 N PHE A 170 18.903 -10.263 -7.175 1.00 0.00 N ATOM 1026 CA PHE A 170 18.227 -10.619 -5.933 1.00 0.00 C ATOM 1027 C PHE A 170 16.823 -10.023 -5.888 1.00 0.00 C ATOM 1028 O PHE A 170 16.655 -8.803 -5.860 1.00 0.00 O ATOM 1029 CB PHE A 170 19.038 -10.134 -4.730 1.00 0.00 C ATOM 1030 CG PHE A 170 20.015 -11.153 -4.216 1.00 0.00 C ATOM 1031 CD1 PHE A 170 19.623 -12.099 -3.283 1.00 0.00 C ATOM 1032 CD2 PHE A 170 21.326 -11.164 -4.665 1.00 0.00 C ATOM 1033 CE1 PHE A 170 20.519 -13.038 -2.808 1.00 0.00 C ATOM 1034 CE2 PHE A 170 22.226 -12.100 -4.194 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.823 -13.038 -3.264 1.00 0.00 C ATOM 0 H PHE A 170 18.856 -9.272 -7.412 1.00 0.00 H new ATOM 0 HA PHE A 170 18.143 -11.705 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.580 -9.230 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.354 -9.861 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 170 18.605 -12.103 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 170 21.648 -10.432 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 170 20.200 -13.771 -2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 170 23.245 -12.098 -4.553 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.526 -13.770 -2.894 1.00 0.00 H new ATOM 1045 N CYS A 171 15.818 -10.892 -5.881 1.00 0.00 N ATOM 1046 CA CYS A 171 14.428 -10.454 -5.840 1.00 0.00 C ATOM 1047 C CYS A 171 13.730 -10.977 -4.588 1.00 0.00 C ATOM 1048 O CYS A 171 14.131 -11.991 -4.017 1.00 0.00 O ATOM 1049 CB CYS A 171 13.685 -10.930 -7.089 1.00 0.00 C ATOM 1050 SG CYS A 171 13.933 -12.693 -7.475 1.00 0.00 S ATOM 0 H CYS A 171 15.940 -11.904 -5.903 1.00 0.00 H new ATOM 0 HA CYS A 171 14.416 -9.364 -5.812 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.619 -10.744 -6.957 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.010 -10.333 -7.941 1.00 0.00 H new ATOM 1055 N CYS A 172 12.681 -10.277 -4.166 1.00 0.00 N ATOM 1056 CA CYS A 172 11.926 -10.669 -2.983 1.00 0.00 C ATOM 1057 C CYS A 172 10.466 -10.243 -3.103 1.00 0.00 C ATOM 1058 O CYS A 172 10.113 -9.434 -3.962 1.00 0.00 O ATOM 1059 CB CYS A 172 12.547 -10.052 -1.728 1.00 0.00 C ATOM 1060 SG CYS A 172 13.054 -8.314 -1.927 1.00 0.00 S ATOM 0 H CYS A 172 12.335 -9.435 -4.627 1.00 0.00 H new ATOM 0 HA CYS A 172 11.964 -11.755 -2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.829 -10.119 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.416 -10.642 -1.438 1.00 0.00 H new ATOM 1065 N PHE A 173 9.621 -10.793 -2.238 1.00 0.00 N ATOM 1066 CA PHE A 173 8.199 -10.471 -2.247 1.00 0.00 C ATOM 1067 C PHE A 173 7.772 -9.853 -0.919 1.00 0.00 C ATOM 1068 O PHE A 173 6.636 -10.025 -0.478 1.00 0.00 O ATOM 1069 CB PHE A 173 7.371 -11.727 -2.527 1.00 0.00 C ATOM 1070 CG PHE A 173 7.213 -12.027 -3.990 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.266 -11.358 -4.749 1.00 0.00 C ATOM 1072 CD2 PHE A 173 8.011 -12.976 -4.607 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.117 -11.633 -6.095 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.868 -13.255 -5.953 1.00 0.00 C ATOM 1075 CZ PHE A 173 6.920 -12.581 -6.699 1.00 0.00 C ATOM 0 H PHE A 173 9.896 -11.464 -1.521 1.00 0.00 H new ATOM 0 HA PHE A 173 8.023 -9.744 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.842 -12.580 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.384 -11.609 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.637 -10.613 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 173 8.754 -13.505 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 173 5.373 -11.107 -6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.496 -13.999 -6.421 1.00 0.00 H new ATOM 0 HZ PHE A 173 6.807 -12.795 -7.752 1.00 0.00 H new ATOM 1085 N ARG A 174 8.692 -9.133 -0.285 1.00 0.00 N ATOM 1086 CA ARG A 174 8.413 -8.491 0.993 1.00 0.00 C ATOM 1087 C ARG A 174 8.964 -7.068 1.019 1.00 0.00 C ATOM 1088 O ARG A 174 10.078 -6.815 0.560 1.00 0.00 O ATOM 1089 CB ARG A 174 9.018 -9.304 2.140 1.00 0.00 C ATOM 1090 CG ARG A 174 8.297 -10.616 2.402 1.00 0.00 C ATOM 1091 CD ARG A 174 8.826 -11.730 1.512 1.00 0.00 C ATOM 1092 NE ARG A 174 9.155 -12.931 2.276 1.00 0.00 N ATOM 1093 CZ ARG A 174 9.747 -13.997 1.750 1.00 0.00 C ATOM 1094 NH1 ARG A 174 10.074 -14.012 0.465 1.00 0.00 N ATOM 1095 NH2 ARG A 174 10.014 -15.052 2.510 1.00 0.00 N ATOM 0 H ARG A 174 9.637 -8.980 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 174 7.331 -8.446 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 174 10.064 -9.513 1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 174 9.002 -8.702 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 174 8.418 -10.896 3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.229 -10.486 2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 174 8.080 -11.975 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.714 -11.382 0.984 1.00 0.00 H new ATOM 0 HE ARG A 174 8.917 -12.952 3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.871 -13.203 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 174 10.529 -14.832 0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.764 -15.044 3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 174 10.469 -15.870 2.105 1.00 0.00 H new ATOM 1109 N ASP A 175 8.177 -6.144 1.558 1.00 0.00 N ATOM 1110 CA ASP A 175 8.586 -4.747 1.644 1.00 0.00 C ATOM 1111 C ASP A 175 9.856 -4.602 2.477 1.00 0.00 C ATOM 1112 O ASP A 175 9.888 -4.978 3.649 1.00 0.00 O ATOM 1113 CB ASP A 175 7.465 -3.901 2.250 1.00 0.00 C ATOM 1114 CG ASP A 175 6.163 -4.032 1.484 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.632 -5.159 1.405 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.674 -3.007 0.964 1.00 0.00 O ATOM 0 H ASP A 175 7.252 -6.337 1.942 1.00 0.00 H new ATOM 0 HA ASP A 175 8.793 -4.393 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.306 -4.202 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.771 -2.855 2.265 1.00 0.00 H new ATOM 1121 N LEU A 176 10.900 -4.057 1.863 1.00 0.00 N ATOM 1122 CA LEU A 176 12.174 -3.864 2.548 1.00 0.00 C ATOM 1123 C LEU A 176 12.792 -5.203 2.938 1.00 0.00 C ATOM 1124 O LEU A 176 13.429 -5.324 3.984 1.00 0.00 O ATOM 1125 CB LEU A 176 11.980 -2.998 3.793 1.00 0.00 C ATOM 1126 CG LEU A 176 10.982 -1.846 3.661 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.993 -0.985 4.914 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.297 -1.007 2.432 1.00 0.00 C ATOM 0 H LEU A 176 10.890 -3.741 0.893 1.00 0.00 H new ATOM 0 HA LEU A 176 12.853 -3.357 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.656 -3.641 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.947 -2.584 4.077 1.00 0.00 H new ATOM 0 HG LEU A 176 9.983 -2.266 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.277 -0.171 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.719 -1.593 5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.991 -0.573 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.577 -0.192 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.303 -0.596 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.237 -1.631 1.540 1.00 0.00 H new ATOM 1140 N CYS A 177 12.600 -6.207 2.088 1.00 0.00 N ATOM 1141 CA CYS A 177 13.139 -7.538 2.341 1.00 0.00 C ATOM 1142 C CYS A 177 14.620 -7.465 2.699 1.00 0.00 C ATOM 1143 O CYS A 177 15.155 -8.357 3.356 1.00 0.00 O ATOM 1144 CB CYS A 177 12.942 -8.432 1.116 1.00 0.00 C ATOM 1145 SG CYS A 177 14.241 -8.258 -0.149 1.00 0.00 S ATOM 0 H CYS A 177 12.075 -6.124 1.218 1.00 0.00 H new ATOM 0 HA CYS A 177 12.600 -7.967 3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.903 -9.472 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.977 -8.203 0.664 1.00 0.00 H new ATOM 1150 N ASN A 178 15.278 -6.397 2.261 1.00 0.00 N ATOM 1151 CA ASN A 178 16.698 -6.207 2.534 1.00 0.00 C ATOM 1152 C ASN A 178 16.992 -4.757 2.904 1.00 0.00 C ATOM 1153 O ASN A 178 16.118 -3.894 2.819 1.00 0.00 O ATOM 1154 CB ASN A 178 17.531 -6.614 1.317 1.00 0.00 C ATOM 1155 CG ASN A 178 17.603 -5.517 0.273 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.687 -4.703 0.147 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.694 -5.490 -0.483 1.00 0.00 N ATOM 0 H ASN A 178 14.850 -5.649 1.715 1.00 0.00 H new ATOM 0 HA ASN A 178 16.968 -6.840 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.540 -6.871 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 178 17.102 -7.510 0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 178 18.798 -4.775 -1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 178 19.428 -6.184 -0.344 1.00 0.00 H new