USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 262 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 105 THR OG1 : rot -8:sc= 0.756! USER MOD Set 1.2: A 119 THR OG1 : rot -173:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0889 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0815 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 81:sc= 0.464 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= -0.123 USER MOD Single : A 152 SER OG : rot 180:sc= 0.045 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00443 USER MOD Single : A 154 SER OG : rot 52:sc= 0.0168 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.913 -1.144 -3.994 1.00 0.00 N ATOM 19 CA LEU A 101 3.405 -2.490 -4.266 1.00 0.00 C ATOM 20 C LEU A 101 4.881 -2.614 -3.904 1.00 0.00 C ATOM 21 O LEU A 101 5.710 -1.818 -4.346 1.00 0.00 O ATOM 22 CB LEU A 101 3.199 -2.841 -5.741 1.00 0.00 C ATOM 23 CG LEU A 101 2.896 -4.309 -6.045 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.186 -4.622 -7.505 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.703 -5.220 -5.132 1.00 0.00 C ATOM 0 HA LEU A 101 2.839 -3.188 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.380 -2.234 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.095 -2.554 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 101 1.837 -4.488 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.965 -5.671 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.564 -3.993 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.237 -4.427 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.475 -6.261 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.767 -5.039 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.446 -5.014 -4.093 1.00 0.00 H new ATOM 37 N LYS A 102 5.204 -3.620 -3.097 1.00 0.00 N ATOM 38 CA LYS A 102 6.581 -3.852 -2.677 1.00 0.00 C ATOM 39 C LYS A 102 7.054 -5.237 -3.106 1.00 0.00 C ATOM 40 O LYS A 102 6.314 -6.216 -3.005 1.00 0.00 O ATOM 41 CB LYS A 102 6.704 -3.707 -1.159 1.00 0.00 C ATOM 42 CG LYS A 102 6.581 -2.273 -0.673 1.00 0.00 C ATOM 43 CD LYS A 102 5.325 -2.073 0.158 1.00 0.00 C ATOM 44 CE LYS A 102 5.608 -2.233 1.644 1.00 0.00 C ATOM 45 NZ LYS A 102 4.531 -1.636 2.482 1.00 0.00 N ATOM 0 H LYS A 102 4.531 -4.287 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 102 7.213 -3.106 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.933 -4.311 -0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.666 -4.108 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.457 -2.013 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.564 -1.598 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.917 -1.080 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.566 -2.793 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.709 -3.292 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.560 -1.760 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.761 -1.766 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.452 -0.620 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.627 -2.104 2.271 1.00 0.00 H new ATOM 59 N CYS A 103 8.292 -5.313 -3.584 1.00 0.00 N ATOM 60 CA CYS A 103 8.865 -6.578 -4.027 1.00 0.00 C ATOM 61 C CYS A 103 10.298 -6.732 -3.525 1.00 0.00 C ATOM 62 O CYS A 103 11.039 -5.754 -3.421 1.00 0.00 O ATOM 63 CB CYS A 103 8.836 -6.668 -5.554 1.00 0.00 C ATOM 64 SG CYS A 103 7.278 -6.092 -6.303 1.00 0.00 S ATOM 0 H CYS A 103 8.918 -4.512 -3.674 1.00 0.00 H new ATOM 0 HA CYS A 103 8.264 -7.386 -3.610 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.660 -6.080 -5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.008 -7.703 -5.850 1.00 0.00 H new ATOM 69 N TYR A 104 10.681 -7.966 -3.216 1.00 0.00 N ATOM 70 CA TYR A 104 12.023 -8.249 -2.723 1.00 0.00 C ATOM 71 C TYR A 104 13.054 -8.114 -3.840 1.00 0.00 C ATOM 72 O TYR A 104 13.462 -9.104 -4.448 1.00 0.00 O ATOM 73 CB TYR A 104 12.084 -9.655 -2.125 1.00 0.00 C ATOM 74 CG TYR A 104 11.586 -9.729 -0.699 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.255 -9.071 0.326 1.00 0.00 C ATOM 76 CD2 TYR A 104 10.447 -10.457 -0.377 1.00 0.00 C ATOM 77 CE1 TYR A 104 11.804 -9.136 1.630 1.00 0.00 C ATOM 78 CE2 TYR A 104 9.988 -10.526 0.924 1.00 0.00 C ATOM 79 CZ TYR A 104 10.670 -9.864 1.924 1.00 0.00 C ATOM 80 OH TYR A 104 10.216 -9.932 3.221 1.00 0.00 O ATOM 0 H TYR A 104 10.080 -8.786 -3.298 1.00 0.00 H new ATOM 0 HA TYR A 104 12.258 -7.521 -1.947 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.492 -10.330 -2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.113 -10.011 -2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.143 -8.499 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.912 -10.978 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.336 -8.620 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.100 -11.095 1.157 1.00 0.00 H new ATOM 0 HH TYR A 104 9.407 -10.483 3.256 1.00 0.00 H new ATOM 90 N THR A 105 13.471 -6.880 -4.106 1.00 0.00 N ATOM 91 CA THR A 105 14.453 -6.613 -5.150 1.00 0.00 C ATOM 92 C THR A 105 15.765 -6.115 -4.556 1.00 0.00 C ATOM 93 O THR A 105 15.791 -5.125 -3.824 1.00 0.00 O ATOM 94 CB THR A 105 13.931 -5.572 -6.159 1.00 0.00 C ATOM 95 OG1 THR A 105 14.146 -4.250 -5.653 1.00 0.00 O ATOM 96 CG2 THR A 105 12.450 -5.781 -6.435 1.00 0.00 C ATOM 0 H THR A 105 13.144 -6.049 -3.613 1.00 0.00 H new ATOM 0 HA THR A 105 14.627 -7.556 -5.669 1.00 0.00 H new ATOM 0 HB THR A 105 14.479 -5.697 -7.093 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.465 -4.302 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.104 -5.034 -7.150 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.294 -6.778 -6.847 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.889 -5.681 -5.506 1.00 0.00 H new ATOM 104 N CYS A 106 16.854 -6.807 -4.874 1.00 0.00 N ATOM 105 CA CYS A 106 18.171 -6.436 -4.372 1.00 0.00 C ATOM 106 C CYS A 106 18.795 -5.344 -5.237 1.00 0.00 C ATOM 107 O CYS A 106 18.267 -4.995 -6.294 1.00 0.00 O ATOM 108 CB CYS A 106 19.089 -7.659 -4.334 1.00 0.00 C ATOM 109 SG CYS A 106 19.246 -8.520 -5.932 1.00 0.00 S ATOM 0 H CYS A 106 16.850 -7.629 -5.478 1.00 0.00 H new ATOM 0 HA CYS A 106 18.051 -6.049 -3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.079 -7.347 -4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 106 18.711 -8.361 -3.591 1.00 0.00 H new ATOM 0 HG CYS A 106 20.043 -9.538 -5.800 1.00 0.00 H new ATOM 276 N ILE A 118 13.647 -5.549 0.602 1.00 0.00 N ATOM 277 CA ILE A 118 12.331 -4.948 0.423 1.00 0.00 C ATOM 278 C ILE A 118 12.432 -3.611 -0.303 1.00 0.00 C ATOM 279 O ILE A 118 13.053 -2.669 0.189 1.00 0.00 O ATOM 280 CB ILE A 118 11.622 -4.734 1.773 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.458 -6.068 2.505 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.269 -4.071 1.561 1.00 0.00 C ATOM 283 CD1 ILE A 118 10.782 -5.939 3.852 1.00 0.00 C ATOM 0 HA ILE A 118 11.746 -5.643 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 118 12.235 -4.076 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.878 -6.747 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.440 -6.521 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.780 -3.926 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.409 -3.105 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.647 -4.706 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.699 -6.923 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.372 -5.286 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.786 -5.515 3.720 1.00 0.00 H new ATOM 295 N THR A 119 11.813 -3.534 -1.478 1.00 0.00 N ATOM 296 CA THR A 119 11.832 -2.313 -2.273 1.00 0.00 C ATOM 297 C THR A 119 10.435 -1.958 -2.769 1.00 0.00 C ATOM 298 O THR A 119 9.632 -2.840 -3.076 1.00 0.00 O ATOM 299 CB THR A 119 12.776 -2.445 -3.483 1.00 0.00 C ATOM 300 OG1 THR A 119 14.129 -2.579 -3.036 1.00 0.00 O ATOM 301 CG2 THR A 119 12.656 -1.234 -4.397 1.00 0.00 C ATOM 0 H THR A 119 11.293 -4.303 -1.899 1.00 0.00 H new ATOM 0 HA THR A 119 12.196 -1.518 -1.622 1.00 0.00 H new ATOM 0 HB THR A 119 12.490 -3.334 -4.044 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.733 -2.552 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.332 -1.349 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.631 -1.151 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.919 -0.333 -3.843 1.00 0.00 H new ATOM 309 N ARG A 120 10.150 -0.662 -2.845 1.00 0.00 N ATOM 310 CA ARG A 120 8.849 -0.192 -3.304 1.00 0.00 C ATOM 311 C ARG A 120 8.844 0.003 -4.817 1.00 0.00 C ATOM 312 O ARG A 120 9.669 0.737 -5.362 1.00 0.00 O ATOM 313 CB ARG A 120 8.484 1.121 -2.608 1.00 0.00 C ATOM 314 CG ARG A 120 8.959 1.200 -1.167 1.00 0.00 C ATOM 315 CD ARG A 120 8.522 2.497 -0.506 1.00 0.00 C ATOM 316 NE ARG A 120 9.254 2.756 0.731 1.00 0.00 N ATOM 317 CZ ARG A 120 10.542 3.079 0.768 1.00 0.00 C ATOM 318 NH1 ARG A 120 11.236 3.184 -0.357 1.00 0.00 N ATOM 319 NH2 ARG A 120 11.139 3.300 1.932 1.00 0.00 N ATOM 0 H ARG A 120 10.803 0.081 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 120 8.107 -0.949 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.913 1.951 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.401 1.246 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.564 0.353 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.046 1.123 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.675 3.325 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.454 2.453 -0.293 1.00 0.00 H new ATOM 0 HE ARG A 120 8.749 2.685 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.781 3.017 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.225 3.432 -0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.609 3.222 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.128 3.548 1.959 1.00 0.00 H new ATOM 333 N CYS A 121 7.908 -0.658 -5.490 1.00 0.00 N ATOM 334 CA CYS A 121 7.795 -0.559 -6.941 1.00 0.00 C ATOM 335 C CYS A 121 7.160 0.767 -7.347 1.00 0.00 C ATOM 336 O CYS A 121 6.729 1.548 -6.499 1.00 0.00 O ATOM 337 CB CYS A 121 6.968 -1.723 -7.489 1.00 0.00 C ATOM 338 SG CYS A 121 7.697 -3.364 -7.182 1.00 0.00 S ATOM 0 H CYS A 121 7.217 -1.268 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 121 8.799 -0.605 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.974 -1.690 -7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.840 -1.590 -8.563 1.00 0.00 H new ATOM 343 N LYS A 122 7.106 1.015 -8.652 1.00 0.00 N ATOM 344 CA LYS A 122 6.522 2.245 -9.173 1.00 0.00 C ATOM 345 C LYS A 122 5.005 2.236 -9.020 1.00 0.00 C ATOM 346 O LYS A 122 4.383 1.190 -8.829 1.00 0.00 O ATOM 347 CB LYS A 122 6.895 2.426 -10.647 1.00 0.00 C ATOM 348 CG LYS A 122 8.290 2.990 -10.856 1.00 0.00 C ATOM 349 CD LYS A 122 8.277 4.509 -10.897 1.00 0.00 C ATOM 350 CE LYS A 122 8.423 5.106 -9.506 1.00 0.00 C ATOM 351 NZ LYS A 122 9.558 6.068 -9.431 1.00 0.00 N ATOM 0 H LYS A 122 7.460 0.380 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 122 6.922 3.079 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.822 1.463 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.170 3.089 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.944 2.652 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.704 2.604 -11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 122 9.088 4.864 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.346 4.854 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.498 5.613 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.577 4.306 -8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.624 6.453 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 10.444 5.579 -9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.399 6.845 -10.104 1.00 0.00 H new ATOM 365 N PRO A 123 4.393 3.426 -9.107 1.00 0.00 N ATOM 366 CA PRO A 123 2.940 3.580 -8.982 1.00 0.00 C ATOM 367 C PRO A 123 2.191 2.998 -10.176 1.00 0.00 C ATOM 368 O PRO A 123 1.046 2.565 -10.050 1.00 0.00 O ATOM 369 CB PRO A 123 2.749 5.098 -8.919 1.00 0.00 C ATOM 370 CG PRO A 123 3.938 5.659 -9.619 1.00 0.00 C ATOM 371 CD PRO A 123 5.071 4.713 -9.333 1.00 0.00 C ATOM 0 HA PRO A 123 2.547 3.051 -8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.823 5.401 -9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.695 5.448 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.758 5.739 -10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.166 6.662 -9.258 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.769 4.658 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.643 5.024 -8.459 1.00 0.00 H new ATOM 379 N GLU A 124 2.845 2.992 -11.334 1.00 0.00 N ATOM 380 CA GLU A 124 2.239 2.463 -12.550 1.00 0.00 C ATOM 381 C GLU A 124 2.245 0.937 -12.541 1.00 0.00 C ATOM 382 O GLU A 124 1.377 0.299 -13.137 1.00 0.00 O ATOM 383 CB GLU A 124 2.983 2.980 -13.783 1.00 0.00 C ATOM 384 CG GLU A 124 3.439 4.424 -13.658 1.00 0.00 C ATOM 385 CD GLU A 124 2.301 5.369 -13.328 1.00 0.00 C ATOM 386 OE1 GLU A 124 1.940 5.471 -12.137 1.00 0.00 O ATOM 387 OE2 GLU A 124 1.770 6.007 -14.261 1.00 0.00 O ATOM 0 H GLU A 124 3.793 3.347 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 124 1.205 2.805 -12.589 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.852 2.348 -13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.334 2.887 -14.654 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.201 4.494 -12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.906 4.736 -14.592 1.00 0.00 H new ATOM 394 N ASP A 125 3.230 0.359 -11.862 1.00 0.00 N ATOM 395 CA ASP A 125 3.350 -1.092 -11.775 1.00 0.00 C ATOM 396 C ASP A 125 2.359 -1.659 -10.763 1.00 0.00 C ATOM 397 O ASP A 125 1.947 -0.971 -9.829 1.00 0.00 O ATOM 398 CB ASP A 125 4.776 -1.485 -11.387 1.00 0.00 C ATOM 399 CG ASP A 125 5.681 -1.647 -12.593 1.00 0.00 C ATOM 400 OD1 ASP A 125 5.508 -0.889 -13.571 1.00 0.00 O ATOM 401 OD2 ASP A 125 6.562 -2.531 -12.558 1.00 0.00 O ATOM 0 H ASP A 125 3.957 0.873 -11.364 1.00 0.00 H new ATOM 0 HA ASP A 125 3.121 -1.511 -12.755 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.191 -0.726 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.752 -2.419 -10.826 1.00 0.00 H new ATOM 406 N THR A 126 1.980 -2.919 -10.956 1.00 0.00 N ATOM 407 CA THR A 126 1.037 -3.578 -10.062 1.00 0.00 C ATOM 408 C THR A 126 1.351 -5.064 -9.929 1.00 0.00 C ATOM 409 O THR A 126 0.526 -5.843 -9.454 1.00 0.00 O ATOM 410 CB THR A 126 -0.413 -3.414 -10.555 1.00 0.00 C ATOM 411 OG1 THR A 126 -0.632 -4.228 -11.713 1.00 0.00 O ATOM 412 CG2 THR A 126 -0.711 -1.960 -10.888 1.00 0.00 C ATOM 0 H THR A 126 2.312 -3.503 -11.724 1.00 0.00 H new ATOM 0 HA THR A 126 1.139 -3.099 -9.088 1.00 0.00 H new ATOM 0 HB THR A 126 -1.083 -3.732 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 126 -1.557 -4.119 -12.019 1.00 0.00 H new ATOM 0 HG21 THR A 126 -1.741 -1.870 -11.234 1.00 0.00 H new ATOM 0 HG22 THR A 126 -0.572 -1.347 -9.997 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.034 -1.620 -11.672 1.00 0.00 H new ATOM 420 N ALA A 127 2.551 -5.450 -10.352 1.00 0.00 N ATOM 421 CA ALA A 127 2.975 -6.842 -10.277 1.00 0.00 C ATOM 422 C ALA A 127 4.488 -6.947 -10.115 1.00 0.00 C ATOM 423 O ALA A 127 5.229 -6.047 -10.511 1.00 0.00 O ATOM 424 CB ALA A 127 2.522 -7.599 -11.517 1.00 0.00 C ATOM 0 H ALA A 127 3.246 -4.818 -10.750 1.00 0.00 H new ATOM 0 HA ALA A 127 2.509 -7.291 -9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.846 -8.638 -11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.435 -7.562 -11.589 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.961 -7.141 -12.403 1.00 0.00 H new ATOM 430 N CYS A 128 4.940 -8.051 -9.529 1.00 0.00 N ATOM 431 CA CYS A 128 6.364 -8.273 -9.312 1.00 0.00 C ATOM 432 C CYS A 128 6.901 -9.334 -10.269 1.00 0.00 C ATOM 433 O CYS A 128 6.141 -10.135 -10.814 1.00 0.00 O ATOM 434 CB CYS A 128 6.621 -8.699 -7.865 1.00 0.00 C ATOM 435 SG CYS A 128 5.992 -7.525 -6.622 1.00 0.00 S ATOM 0 H CYS A 128 4.340 -8.806 -9.196 1.00 0.00 H new ATOM 0 HA CYS A 128 6.886 -7.336 -9.506 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.160 -9.672 -7.696 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.694 -8.825 -7.720 1.00 0.00 H new ATOM 440 N MET A 129 8.215 -9.334 -10.468 1.00 0.00 N ATOM 441 CA MET A 129 8.853 -10.297 -11.357 1.00 0.00 C ATOM 442 C MET A 129 10.045 -10.961 -10.675 1.00 0.00 C ATOM 443 O MET A 129 10.743 -10.337 -9.875 1.00 0.00 O ATOM 444 CB MET A 129 9.307 -9.610 -12.647 1.00 0.00 C ATOM 445 CG MET A 129 9.346 -10.539 -13.849 1.00 0.00 C ATOM 446 SD MET A 129 10.663 -10.121 -15.008 1.00 0.00 S ATOM 447 CE MET A 129 9.759 -10.097 -16.554 1.00 0.00 C ATOM 0 H MET A 129 8.858 -8.678 -10.025 1.00 0.00 H new ATOM 0 HA MET A 129 8.121 -11.067 -11.602 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.635 -8.779 -12.862 1.00 0.00 H new ATOM 0 HB3 MET A 129 10.299 -9.186 -12.493 1.00 0.00 H new ATOM 0 HG2 MET A 129 9.481 -11.565 -13.506 1.00 0.00 H new ATOM 0 HG3 MET A 129 8.387 -10.499 -14.365 1.00 0.00 H new ATOM 0 HE1 MET A 129 10.439 -9.852 -17.370 1.00 0.00 H new ATOM 0 HE2 MET A 129 9.317 -11.077 -16.732 1.00 0.00 H new ATOM 0 HE3 MET A 129 8.970 -9.347 -16.502 1.00 0.00 H new ATOM 457 N THR A 130 10.273 -12.231 -10.995 1.00 0.00 N ATOM 458 CA THR A 130 11.379 -12.980 -10.411 1.00 0.00 C ATOM 459 C THR A 130 12.051 -13.869 -11.451 1.00 0.00 C ATOM 460 O THR A 130 11.445 -14.812 -11.962 1.00 0.00 O ATOM 461 CB THR A 130 10.906 -13.854 -9.234 1.00 0.00 C ATOM 462 OG1 THR A 130 9.979 -13.124 -8.423 1.00 0.00 O ATOM 463 CG2 THR A 130 12.086 -14.303 -8.386 1.00 0.00 C ATOM 0 H THR A 130 9.706 -12.763 -11.656 1.00 0.00 H new ATOM 0 HA THR A 130 12.098 -12.247 -10.044 1.00 0.00 H new ATOM 0 HB THR A 130 10.414 -14.738 -9.641 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.091 -13.151 -8.836 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.728 -14.919 -7.561 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.775 -14.883 -9.000 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.602 -13.429 -7.989 1.00 0.00 H new ATOM 471 N THR A 131 13.307 -13.563 -11.762 1.00 0.00 N ATOM 472 CA THR A 131 14.061 -14.334 -12.742 1.00 0.00 C ATOM 473 C THR A 131 15.081 -15.239 -12.062 1.00 0.00 C ATOM 474 O THR A 131 15.810 -14.808 -11.168 1.00 0.00 O ATOM 475 CB THR A 131 14.791 -13.414 -13.739 1.00 0.00 C ATOM 476 OG1 THR A 131 13.841 -12.628 -14.467 1.00 0.00 O ATOM 477 CG2 THR A 131 15.634 -14.228 -14.709 1.00 0.00 C ATOM 0 H THR A 131 13.823 -12.786 -11.349 1.00 0.00 H new ATOM 0 HA THR A 131 13.341 -14.947 -13.285 1.00 0.00 H new ATOM 0 HB THR A 131 15.450 -12.754 -13.175 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.313 -12.045 -15.097 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.140 -13.557 -15.403 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.376 -14.802 -14.153 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.991 -14.909 -15.266 1.00 0.00 H new ATOM 747 N ARG A 149 15.013 -10.364 -8.813 1.00 0.00 N ATOM 748 CA ARG A 149 13.638 -9.899 -8.684 1.00 0.00 C ATOM 749 C ARG A 149 13.520 -8.432 -9.088 1.00 0.00 C ATOM 750 O ARG A 149 14.341 -7.602 -8.697 1.00 0.00 O ATOM 751 CB ARG A 149 13.147 -10.084 -7.247 1.00 0.00 C ATOM 752 CG ARG A 149 11.665 -10.407 -7.147 1.00 0.00 C ATOM 753 CD ARG A 149 11.188 -10.397 -5.703 1.00 0.00 C ATOM 754 NE ARG A 149 11.927 -11.348 -4.877 1.00 0.00 N ATOM 755 CZ ARG A 149 11.750 -12.663 -4.935 1.00 0.00 C ATOM 756 NH1 ARG A 149 10.865 -13.180 -5.777 1.00 0.00 N ATOM 757 NH2 ARG A 149 12.460 -13.465 -4.151 1.00 0.00 N ATOM 0 HA ARG A 149 13.016 -10.494 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.717 -10.885 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.351 -9.174 -6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.094 -9.681 -7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.474 -11.386 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 149 11.301 -9.394 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 149 10.125 -10.637 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 149 12.616 -10.983 -4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 149 10.318 -12.567 -6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 149 10.731 -14.190 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 149 13.142 -13.072 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 149 12.323 -14.475 -4.196 1.00 0.00 H new ATOM 771 N SER A 150 12.494 -8.120 -9.873 1.00 0.00 N ATOM 772 CA SER A 150 12.271 -6.754 -10.333 1.00 0.00 C ATOM 773 C SER A 150 10.783 -6.489 -10.547 1.00 0.00 C ATOM 774 O SER A 150 10.020 -7.398 -10.876 1.00 0.00 O ATOM 775 CB SER A 150 13.038 -6.499 -11.632 1.00 0.00 C ATOM 776 OG SER A 150 14.362 -6.999 -11.548 1.00 0.00 O ATOM 0 H SER A 150 11.804 -8.794 -10.204 1.00 0.00 H new ATOM 0 HA SER A 150 12.637 -6.074 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.518 -6.974 -12.464 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.062 -5.429 -11.840 1.00 0.00 H new ATOM 0 HG SER A 150 14.831 -6.825 -12.391 1.00 0.00 H new ATOM 782 N CYS A 151 10.379 -5.238 -10.359 1.00 0.00 N ATOM 783 CA CYS A 151 8.984 -4.851 -10.531 1.00 0.00 C ATOM 784 C CYS A 151 8.570 -4.944 -11.996 1.00 0.00 C ATOM 785 O CYS A 151 9.402 -4.829 -12.896 1.00 0.00 O ATOM 786 CB CYS A 151 8.761 -3.427 -10.016 1.00 0.00 C ATOM 787 SG CYS A 151 9.465 -3.114 -8.365 1.00 0.00 S ATOM 0 H CYS A 151 10.998 -4.474 -10.087 1.00 0.00 H new ATOM 0 HA CYS A 151 8.368 -5.540 -9.953 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.198 -2.723 -10.725 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.690 -3.226 -9.986 1.00 0.00 H new ATOM 792 N SER A 152 7.278 -5.154 -12.228 1.00 0.00 N ATOM 793 CA SER A 152 6.753 -5.266 -13.584 1.00 0.00 C ATOM 794 C SER A 152 5.311 -4.773 -13.651 1.00 0.00 C ATOM 795 O SER A 152 4.560 -4.882 -12.681 1.00 0.00 O ATOM 796 CB SER A 152 6.830 -6.717 -14.065 1.00 0.00 C ATOM 797 OG SER A 152 6.294 -6.851 -15.369 1.00 0.00 O ATOM 0 H SER A 152 6.576 -5.250 -11.495 1.00 0.00 H new ATOM 0 HA SER A 152 7.363 -4.641 -14.236 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.868 -7.051 -14.059 1.00 0.00 H new ATOM 0 HB3 SER A 152 6.284 -7.361 -13.376 1.00 0.00 H new ATOM 0 HG SER A 152 6.356 -7.787 -15.654 1.00 0.00 H new ATOM 803 N SER A 153 4.930 -4.230 -14.803 1.00 0.00 N ATOM 804 CA SER A 153 3.580 -3.716 -14.997 1.00 0.00 C ATOM 805 C SER A 153 2.721 -4.719 -15.762 1.00 0.00 C ATOM 806 O SER A 153 1.645 -4.383 -16.255 1.00 0.00 O ATOM 807 CB SER A 153 3.621 -2.385 -15.750 1.00 0.00 C ATOM 808 OG SER A 153 4.503 -2.452 -16.857 1.00 0.00 O ATOM 0 H SER A 153 5.538 -4.135 -15.616 1.00 0.00 H new ATOM 0 HA SER A 153 3.135 -3.556 -14.015 1.00 0.00 H new ATOM 0 HB2 SER A 153 2.619 -2.127 -16.094 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.940 -1.591 -15.075 1.00 0.00 H new ATOM 0 HG SER A 153 4.510 -1.590 -17.322 1.00 0.00 H new ATOM 814 N SER A 154 3.206 -5.953 -15.856 1.00 0.00 N ATOM 815 CA SER A 154 2.487 -7.005 -16.564 1.00 0.00 C ATOM 816 C SER A 154 3.078 -8.376 -16.247 1.00 0.00 C ATOM 817 O SER A 154 4.034 -8.815 -16.886 1.00 0.00 O ATOM 818 CB SER A 154 2.529 -6.756 -18.072 1.00 0.00 C ATOM 819 OG SER A 154 3.807 -6.299 -18.478 1.00 0.00 O ATOM 0 H SER A 154 4.094 -6.249 -15.451 1.00 0.00 H new ATOM 0 HA SER A 154 1.450 -6.989 -16.229 1.00 0.00 H new ATOM 0 HB2 SER A 154 2.283 -7.676 -18.603 1.00 0.00 H new ATOM 0 HB3 SER A 154 1.773 -6.019 -18.343 1.00 0.00 H new ATOM 0 HG SER A 154 4.495 -6.912 -18.144 1.00 0.00 H new ATOM 825 N CYS A 155 2.502 -9.047 -15.255 1.00 0.00 N ATOM 826 CA CYS A 155 2.970 -10.367 -14.851 1.00 0.00 C ATOM 827 C CYS A 155 2.716 -11.394 -15.951 1.00 0.00 C ATOM 828 O CYS A 155 1.569 -11.721 -16.256 1.00 0.00 O ATOM 829 CB CYS A 155 2.277 -10.804 -13.559 1.00 0.00 C ATOM 830 SG CYS A 155 2.352 -12.597 -13.245 1.00 0.00 S ATOM 0 H CYS A 155 1.710 -8.698 -14.716 1.00 0.00 H new ATOM 0 HA CYS A 155 4.044 -10.306 -14.676 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.733 -10.280 -12.719 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.232 -10.496 -13.598 1.00 0.00 H new ATOM 1006 N ILE A 169 10.695 -17.500 -15.139 1.00 0.00 N ATOM 1007 CA ILE A 169 9.985 -16.274 -14.794 1.00 0.00 C ATOM 1008 C ILE A 169 8.908 -16.539 -13.748 1.00 0.00 C ATOM 1009 O ILE A 169 8.031 -17.381 -13.943 1.00 0.00 O ATOM 1010 CB ILE A 169 9.334 -15.633 -16.034 1.00 0.00 C ATOM 1011 CG1 ILE A 169 10.386 -15.375 -17.114 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.629 -14.340 -15.653 1.00 0.00 C ATOM 1013 CD1 ILE A 169 9.801 -14.919 -18.432 1.00 0.00 C ATOM 0 HA ILE A 169 10.724 -15.585 -14.385 1.00 0.00 H new ATOM 0 HB ILE A 169 8.592 -16.324 -16.435 1.00 0.00 H new ATOM 0 HG12 ILE A 169 11.085 -14.619 -16.755 1.00 0.00 H new ATOM 0 HG13 ILE A 169 10.959 -16.288 -17.277 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.174 -13.899 -16.540 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.855 -14.551 -14.915 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.352 -13.642 -15.231 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.605 -14.755 -19.150 1.00 0.00 H new ATOM 0 HD12 ILE A 169 9.124 -15.683 -18.813 1.00 0.00 H new ATOM 0 HD13 ILE A 169 9.252 -13.989 -18.284 1.00 0.00 H new ATOM 1025 N PHE A 170 8.979 -15.814 -12.637 1.00 0.00 N ATOM 1026 CA PHE A 170 8.009 -15.969 -11.559 1.00 0.00 C ATOM 1027 C PHE A 170 7.470 -14.613 -11.112 1.00 0.00 C ATOM 1028 O PHE A 170 8.142 -13.870 -10.397 1.00 0.00 O ATOM 1029 CB PHE A 170 8.647 -16.693 -10.371 1.00 0.00 C ATOM 1030 CG PHE A 170 8.504 -18.187 -10.433 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.463 -18.962 -11.066 1.00 0.00 C ATOM 1032 CD2 PHE A 170 7.413 -18.817 -9.858 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.334 -20.336 -11.126 1.00 0.00 C ATOM 1034 CE2 PHE A 170 7.278 -20.191 -9.913 1.00 0.00 C ATOM 1035 CZ PHE A 170 8.241 -20.952 -10.547 1.00 0.00 C ATOM 0 H PHE A 170 9.698 -15.113 -12.459 1.00 0.00 H new ATOM 0 HA PHE A 170 7.177 -16.564 -11.936 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.706 -16.439 -10.327 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.193 -16.330 -9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 170 10.321 -18.486 -11.518 1.00 0.00 H new ATOM 0 HD2 PHE A 170 6.658 -18.227 -9.360 1.00 0.00 H new ATOM 0 HE1 PHE A 170 10.087 -20.928 -11.625 1.00 0.00 H new ATOM 0 HE2 PHE A 170 6.421 -20.669 -9.461 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.140 -22.026 -10.590 1.00 0.00 H new ATOM 1045 N CYS A 171 6.252 -14.297 -11.540 1.00 0.00 N ATOM 1046 CA CYS A 171 5.621 -13.031 -11.187 1.00 0.00 C ATOM 1047 C CYS A 171 4.407 -13.260 -10.291 1.00 0.00 C ATOM 1048 O CYS A 171 3.922 -14.384 -10.159 1.00 0.00 O ATOM 1049 CB CYS A 171 5.202 -12.277 -12.450 1.00 0.00 C ATOM 1050 SG CYS A 171 4.186 -13.258 -13.600 1.00 0.00 S ATOM 0 H CYS A 171 5.682 -14.901 -12.132 1.00 0.00 H new ATOM 0 HA CYS A 171 6.347 -12.431 -10.638 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.645 -11.386 -12.160 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.097 -11.938 -12.972 1.00 0.00 H new ATOM 1055 N CYS A 172 3.921 -12.186 -9.678 1.00 0.00 N ATOM 1056 CA CYS A 172 2.764 -12.268 -8.795 1.00 0.00 C ATOM 1057 C CYS A 172 2.040 -10.926 -8.721 1.00 0.00 C ATOM 1058 O CYS A 172 2.396 -9.977 -9.420 1.00 0.00 O ATOM 1059 CB CYS A 172 3.196 -12.704 -7.394 1.00 0.00 C ATOM 1060 SG CYS A 172 4.656 -11.820 -6.756 1.00 0.00 S ATOM 0 H CYS A 172 4.311 -11.249 -9.777 1.00 0.00 H new ATOM 0 HA CYS A 172 2.078 -13.009 -9.204 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.364 -12.553 -6.706 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.409 -13.773 -7.407 1.00 0.00 H new ATOM 1065 N PHE A 173 1.022 -10.856 -7.870 1.00 0.00 N ATOM 1066 CA PHE A 173 0.247 -9.631 -7.705 1.00 0.00 C ATOM 1067 C PHE A 173 0.033 -9.319 -6.227 1.00 0.00 C ATOM 1068 O PHE A 173 -1.038 -8.861 -5.827 1.00 0.00 O ATOM 1069 CB PHE A 173 -1.103 -9.758 -8.412 1.00 0.00 C ATOM 1070 CG PHE A 173 -1.016 -9.604 -9.904 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.999 -8.345 -10.483 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -0.950 -10.717 -10.726 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.919 -8.200 -11.856 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -0.869 -10.578 -12.099 1.00 0.00 C ATOM 1075 CZ PHE A 173 -0.853 -9.318 -12.664 1.00 0.00 C ATOM 0 H PHE A 173 0.714 -11.632 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 173 0.808 -8.811 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.535 -10.731 -8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.784 -9.004 -8.016 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.049 -7.468 -9.855 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -0.962 -11.705 -10.289 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -0.908 -7.214 -12.296 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -0.818 -11.454 -12.729 1.00 0.00 H new ATOM 0 HZ PHE A 173 -0.789 -9.207 -13.736 1.00 0.00 H new ATOM 1085 N ARG A 174 1.058 -9.570 -5.420 1.00 0.00 N ATOM 1086 CA ARG A 174 0.982 -9.318 -3.986 1.00 0.00 C ATOM 1087 C ARG A 174 2.335 -8.869 -3.441 1.00 0.00 C ATOM 1088 O ARG A 174 3.377 -9.398 -3.825 1.00 0.00 O ATOM 1089 CB ARG A 174 0.515 -10.574 -3.250 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.956 -10.892 -3.460 1.00 0.00 C ATOM 1091 CD ARG A 174 -1.156 -11.877 -4.601 1.00 0.00 C ATOM 1092 NE ARG A 174 -0.917 -13.256 -4.182 1.00 0.00 N ATOM 1093 CZ ARG A 174 -1.075 -14.305 -4.981 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -1.468 -14.133 -6.236 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -0.838 -15.529 -4.526 1.00 0.00 N ATOM 0 H ARG A 174 1.952 -9.948 -5.735 1.00 0.00 H new ATOM 0 HA ARG A 174 0.259 -8.519 -3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.112 -11.423 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 174 0.703 -10.451 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -1.374 -11.306 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -1.501 -9.972 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -2.172 -11.786 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -0.482 -11.625 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 174 -0.612 -13.422 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.650 -13.194 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -1.589 -14.940 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -0.534 -15.665 -3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -0.960 -16.334 -5.141 1.00 0.00 H new ATOM 1109 N ASP A 175 2.309 -7.889 -2.544 1.00 0.00 N ATOM 1110 CA ASP A 175 3.533 -7.369 -1.945 1.00 0.00 C ATOM 1111 C ASP A 175 4.307 -8.478 -1.239 1.00 0.00 C ATOM 1112 O ASP A 175 3.777 -9.152 -0.355 1.00 0.00 O ATOM 1113 CB ASP A 175 3.206 -6.248 -0.956 1.00 0.00 C ATOM 1114 CG ASP A 175 2.502 -5.080 -1.617 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.457 -5.306 -2.262 1.00 0.00 O ATOM 1116 OD2 ASP A 175 2.996 -3.940 -1.490 1.00 0.00 O ATOM 0 H ASP A 175 1.454 -7.439 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 175 4.157 -6.968 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 175 2.577 -6.643 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.127 -5.897 -0.491 1.00 0.00 H new ATOM 1121 N LEU A 176 5.561 -8.661 -1.635 1.00 0.00 N ATOM 1122 CA LEU A 176 6.408 -9.690 -1.041 1.00 0.00 C ATOM 1123 C LEU A 176 5.758 -11.064 -1.156 1.00 0.00 C ATOM 1124 O LEU A 176 5.868 -11.893 -0.251 1.00 0.00 O ATOM 1125 CB LEU A 176 6.685 -9.364 0.428 1.00 0.00 C ATOM 1126 CG LEU A 176 7.120 -7.930 0.728 1.00 0.00 C ATOM 1127 CD1 LEU A 176 7.586 -7.803 2.170 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.220 -7.495 -0.230 1.00 0.00 C ATOM 0 H LEU A 176 6.014 -8.111 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 176 7.351 -9.709 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 176 5.783 -9.576 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 176 7.460 -10.040 0.789 1.00 0.00 H new ATOM 0 HG LEU A 176 6.261 -7.274 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.892 -6.775 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 176 6.770 -8.072 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.431 -8.471 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.517 -6.472 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.080 -8.156 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 176 7.851 -7.546 -1.255 1.00 0.00 H new ATOM 1140 N CYS A 177 5.082 -11.302 -2.275 1.00 0.00 N ATOM 1141 CA CYS A 177 4.415 -12.576 -2.510 1.00 0.00 C ATOM 1142 C CYS A 177 5.372 -13.742 -2.277 1.00 0.00 C ATOM 1143 O CYS A 177 4.946 -14.860 -1.990 1.00 0.00 O ATOM 1144 CB CYS A 177 3.864 -12.632 -3.936 1.00 0.00 C ATOM 1145 SG CYS A 177 5.080 -13.167 -5.183 1.00 0.00 S ATOM 0 H CYS A 177 4.982 -10.628 -3.034 1.00 0.00 H new ATOM 0 HA CYS A 177 3.588 -12.660 -1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.013 -13.313 -3.959 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.490 -11.645 -4.209 1.00 0.00 H new