USER MOD reduce.3.24.130724 H: found=0, std=0, add=192, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 195 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 Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -4.67! C(o=-4.7!,f=-3.4!) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.934 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 59 -7.327 -0.653 4.816 1.00 0.00 N ATOM 2 CA ASP A 59 -8.462 0.274 4.548 1.00 0.00 C ATOM 3 C ASP A 59 -8.181 1.080 3.288 1.00 0.00 C ATOM 4 O ASP A 59 -8.113 2.308 3.336 1.00 0.00 O ATOM 5 CB ASP A 59 -8.639 1.222 5.731 1.00 0.00 C ATOM 6 CG ASP A 59 -7.389 2.077 5.908 1.00 0.00 C ATOM 7 OD1 ASP A 59 -6.482 1.938 5.105 1.00 0.00 O ATOM 8 OD2 ASP A 59 -7.359 2.859 6.843 1.00 0.00 O ATOM 0 HA ASP A 59 -9.374 -0.306 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.507 1.861 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.830 0.651 6.639 1.00 0.00 H new ATOM 15 N THR A 60 -8.019 0.394 2.162 1.00 0.00 N ATOM 16 CA THR A 60 -7.753 1.092 0.913 1.00 0.00 C ATOM 17 C THR A 60 -7.647 0.134 -0.265 1.00 0.00 C ATOM 18 O THR A 60 -6.625 -0.521 -0.462 1.00 0.00 O ATOM 19 CB THR A 60 -6.454 1.893 1.034 1.00 0.00 C ATOM 20 OG1 THR A 60 -5.960 2.190 -0.264 1.00 0.00 O ATOM 21 CG2 THR A 60 -5.417 1.073 1.807 1.00 0.00 C ATOM 0 H THR A 60 -8.066 -0.622 2.089 1.00 0.00 H new ATOM 0 HA THR A 60 -8.593 1.761 0.726 1.00 0.00 H new ATOM 0 HB THR A 60 -6.647 2.823 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.129 2.704 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.492 1.644 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.799 0.849 2.803 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.220 0.142 1.276 1.00 0.00 H new ATOM 29 N LEU A 61 -8.714 0.074 -1.050 1.00 0.00 N ATOM 30 CA LEU A 61 -8.749 -0.790 -2.226 1.00 0.00 C ATOM 31 C LEU A 61 -8.796 -2.250 -1.796 1.00 0.00 C ATOM 32 O LEU A 61 -8.984 -3.152 -2.613 1.00 0.00 O ATOM 33 CB LEU A 61 -7.514 -0.515 -3.123 1.00 0.00 C ATOM 34 CG LEU A 61 -7.939 -0.309 -4.584 1.00 0.00 C ATOM 35 CD1 LEU A 61 -6.729 0.137 -5.409 1.00 0.00 C ATOM 36 CD2 LEU A 61 -8.485 -1.623 -5.150 1.00 0.00 C ATOM 0 H LEU A 61 -9.567 0.612 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.647 -0.574 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.987 0.369 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.817 -1.350 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.714 0.456 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.030 0.283 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.341 1.073 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.954 -0.628 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.786 -1.475 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.711 -2.389 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.347 -1.941 -4.564 1.00 0.00 H new ATOM 48 N LEU A 62 -8.639 -2.460 -0.503 1.00 0.00 N ATOM 49 CA LEU A 62 -8.675 -3.793 0.065 1.00 0.00 C ATOM 50 C LEU A 62 -8.966 -3.664 1.552 1.00 0.00 C ATOM 51 O LEU A 62 -8.246 -4.188 2.402 1.00 0.00 O ATOM 52 CB LEU A 62 -7.342 -4.528 -0.174 1.00 0.00 C ATOM 53 CG LEU A 62 -6.185 -3.523 -0.220 1.00 0.00 C ATOM 54 CD1 LEU A 62 -6.044 -2.824 1.134 1.00 0.00 C ATOM 55 CD2 LEU A 62 -4.890 -4.267 -0.541 1.00 0.00 C ATOM 0 H LEU A 62 -8.484 -1.717 0.179 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.455 -4.382 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.171 -5.254 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.388 -5.084 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.387 -2.776 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.220 -2.112 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.968 -2.296 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.844 -3.566 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.062 -3.559 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.698 -5.012 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.985 -4.762 -1.508 1.00 0.00 H new ATOM 67 N GLY A 63 -10.032 -2.940 1.842 1.00 0.00 N ATOM 68 CA GLY A 63 -10.443 -2.704 3.217 1.00 0.00 C ATOM 69 C GLY A 63 -11.392 -1.509 3.311 1.00 0.00 C ATOM 70 O GLY A 63 -11.944 -1.229 4.373 1.00 0.00 O ATOM 0 H GLY A 63 -10.632 -2.503 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.934 -3.594 3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.564 -2.524 3.837 1.00 0.00 H new ATOM 74 N ARG A 64 -11.591 -0.821 2.183 1.00 0.00 N ATOM 75 CA ARG A 64 -12.488 0.331 2.109 1.00 0.00 C ATOM 76 C ARG A 64 -13.446 0.156 0.925 1.00 0.00 C ATOM 77 O ARG A 64 -14.281 1.024 0.668 1.00 0.00 O ATOM 78 CB ARG A 64 -11.671 1.632 1.946 1.00 0.00 C ATOM 79 CG ARG A 64 -11.351 2.250 3.330 1.00 0.00 C ATOM 80 CD ARG A 64 -12.448 3.245 3.745 1.00 0.00 C ATOM 81 NE ARG A 64 -13.706 2.554 4.013 1.00 0.00 N ATOM 82 CZ ARG A 64 -14.849 3.224 4.106 1.00 0.00 C ATOM 83 NH1 ARG A 64 -14.860 4.520 3.956 1.00 0.00 N ATOM 84 NH2 ARG A 64 -15.961 2.586 4.351 1.00 0.00 N ATOM 0 H ARG A 64 -11.135 -1.048 1.299 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.065 0.398 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.744 1.422 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.231 2.347 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.268 1.460 4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.387 2.757 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.132 3.791 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.594 3.981 2.955 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.707 1.541 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.991 5.019 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.738 5.034 4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.952 1.573 4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.839 3.100 4.422 1.00 0.00 H new ATOM 98 N ILE A 65 -13.318 -0.965 0.194 1.00 0.00 N ATOM 99 CA ILE A 65 -14.176 -1.211 -0.961 1.00 0.00 C ATOM 100 C ILE A 65 -14.693 -2.656 -1.026 1.00 0.00 C ATOM 101 O ILE A 65 -15.892 -2.884 -0.859 1.00 0.00 O ATOM 102 CB ILE A 65 -13.406 -0.891 -2.240 1.00 0.00 C ATOM 103 CG1 ILE A 65 -12.679 0.452 -2.071 1.00 0.00 C ATOM 104 CG2 ILE A 65 -14.378 -0.792 -3.424 1.00 0.00 C ATOM 105 CD1 ILE A 65 -11.891 0.790 -3.341 1.00 0.00 C ATOM 0 H ILE A 65 -12.637 -1.700 0.384 1.00 0.00 H new ATOM 0 HA ILE A 65 -15.046 -0.563 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 65 -12.683 -1.684 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -13.401 1.241 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -12.003 0.403 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -13.822 -0.563 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -14.900 -1.741 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -15.103 -0.001 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -11.380 1.744 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -11.156 0.008 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.576 0.859 -4.186 1.00 0.00 H new ATOM 117 N LEU A 66 -13.813 -3.636 -1.299 1.00 0.00 N ATOM 118 CA LEU A 66 -14.272 -5.036 -1.406 1.00 0.00 C ATOM 119 C LEU A 66 -14.238 -5.753 -0.049 1.00 0.00 C ATOM 120 O LEU A 66 -15.281 -6.220 0.408 1.00 0.00 O ATOM 121 CB LEU A 66 -13.491 -5.843 -2.494 1.00 0.00 C ATOM 122 CG LEU A 66 -12.637 -4.910 -3.369 1.00 0.00 C ATOM 123 CD1 LEU A 66 -11.757 -5.753 -4.296 1.00 0.00 C ATOM 124 CD2 LEU A 66 -13.551 -4.010 -4.215 1.00 0.00 C ATOM 0 H LEU A 66 -12.813 -3.495 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.311 -4.992 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.851 -6.582 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.195 -6.390 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.011 -4.288 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.150 -5.096 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.106 -6.391 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.388 -6.373 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.941 -3.351 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.180 -4.629 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.181 -3.411 -3.558 1.00 0.00 H new ATOM 136 N PRO A 67 -13.108 -5.862 0.626 1.00 0.00 N ATOM 137 CA PRO A 67 -13.061 -6.547 1.949 1.00 0.00 C ATOM 138 C PRO A 67 -13.748 -5.690 2.998 1.00 0.00 C ATOM 139 O PRO A 67 -14.046 -6.142 4.102 1.00 0.00 O ATOM 140 CB PRO A 67 -11.550 -6.718 2.237 1.00 0.00 C ATOM 141 CG PRO A 67 -10.879 -6.415 0.937 1.00 0.00 C ATOM 142 CD PRO A 67 -11.768 -5.368 0.273 1.00 0.00 C ATOM 0 HA PRO A 67 -13.578 -7.506 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.217 -6.039 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.323 -7.730 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.869 -6.035 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.792 -7.309 0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.584 -4.366 0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.617 -5.325 -0.806 1.00 0.00 H new ATOM 150 N GLN A 68 -13.986 -4.438 2.625 1.00 0.00 N ATOM 151 CA GLN A 68 -14.621 -3.486 3.507 1.00 0.00 C ATOM 152 C GLN A 68 -15.989 -3.970 3.939 1.00 0.00 C ATOM 153 O GLN A 68 -16.361 -3.895 5.110 1.00 0.00 O ATOM 154 CB GLN A 68 -14.796 -2.176 2.754 1.00 0.00 C ATOM 155 CG GLN A 68 -15.667 -1.196 3.565 1.00 0.00 C ATOM 156 CD GLN A 68 -17.135 -1.381 3.203 1.00 0.00 C ATOM 157 OE1 GLN A 68 -17.523 -1.199 2.049 1.00 0.00 O ATOM 158 NE2 GLN A 68 -17.969 -1.763 4.122 1.00 0.00 N ATOM 0 H GLN A 68 -13.744 -4.063 1.708 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.997 -3.359 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.821 -1.729 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.258 -2.366 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.523 -1.366 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.360 -0.170 3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.643 -1.912 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.951 -1.914 3.889 1.00 0.00 H new ATOM 167 N LEU A 69 -16.736 -4.441 2.962 1.00 0.00 N ATOM 168 CA LEU A 69 -18.080 -4.914 3.199 1.00 0.00 C ATOM 169 C LEU A 69 -18.055 -6.097 4.142 1.00 0.00 C ATOM 170 O LEU A 69 -18.913 -6.234 5.002 1.00 0.00 O ATOM 171 CB LEU A 69 -18.727 -5.331 1.876 1.00 0.00 C ATOM 172 CG LEU A 69 -18.940 -4.101 0.983 1.00 0.00 C ATOM 173 CD1 LEU A 69 -19.417 -4.562 -0.397 1.00 0.00 C ATOM 174 CD2 LEU A 69 -19.984 -3.157 1.611 1.00 0.00 C ATOM 0 H LEU A 69 -16.431 -4.506 1.991 1.00 0.00 H new ATOM 0 HA LEU A 69 -18.661 -4.109 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.094 -6.056 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.682 -5.821 2.067 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.999 -3.559 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.571 -3.694 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.665 -5.213 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -20.355 -5.108 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -20.124 -2.289 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -20.932 -3.684 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -19.635 -2.829 2.590 1.00 0.00 H new ATOM 186 N VAL A 70 -17.068 -6.959 3.973 1.00 0.00 N ATOM 187 CA VAL A 70 -16.949 -8.140 4.822 1.00 0.00 C ATOM 188 C VAL A 70 -15.917 -7.926 5.925 1.00 0.00 C ATOM 189 O VAL A 70 -15.285 -8.881 6.377 1.00 0.00 O ATOM 190 CB VAL A 70 -16.557 -9.358 3.988 1.00 0.00 C ATOM 191 CG1 VAL A 70 -17.725 -9.748 3.078 1.00 0.00 C ATOM 192 CG2 VAL A 70 -15.330 -9.030 3.133 1.00 0.00 C ATOM 0 H VAL A 70 -16.341 -6.869 3.263 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.921 -8.314 5.284 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.318 -10.188 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -17.447 -10.617 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.596 -9.989 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.964 -8.916 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.055 -9.903 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.562 -8.198 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.498 -8.755 3.781 1.00 0.00 H new ATOM 202 N CYS A 71 -15.749 -6.675 6.365 1.00 0.00 N ATOM 203 CA CYS A 71 -14.786 -6.369 7.428 1.00 0.00 C ATOM 204 C CYS A 71 -15.419 -5.481 8.489 1.00 0.00 C ATOM 205 O CYS A 71 -15.243 -5.706 9.686 1.00 0.00 O ATOM 206 CB CYS A 71 -13.555 -5.674 6.845 1.00 0.00 C ATOM 207 SG CYS A 71 -12.446 -5.185 8.190 1.00 0.00 S ATOM 0 H CYS A 71 -16.260 -5.868 6.008 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.483 -7.308 7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.038 -6.343 6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.856 -4.798 6.271 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.398 -4.596 7.696 1.00 0.00 H new ATOM 213 N ARG A 72 -16.152 -4.459 8.051 1.00 0.00 N ATOM 214 CA ARG A 72 -16.799 -3.536 8.981 1.00 0.00 C ATOM 215 C ARG A 72 -18.289 -3.850 9.113 1.00 0.00 C ATOM 216 O ARG A 72 -18.953 -3.309 9.997 1.00 0.00 O ATOM 217 CB ARG A 72 -16.609 -2.081 8.494 1.00 0.00 C ATOM 218 CG ARG A 72 -15.280 -1.497 9.011 1.00 0.00 C ATOM 219 CD ARG A 72 -14.113 -2.064 8.204 1.00 0.00 C ATOM 220 NE ARG A 72 -14.145 -1.544 6.843 1.00 0.00 N ATOM 221 CZ ARG A 72 -13.661 -0.334 6.567 1.00 0.00 C ATOM 222 NH1 ARG A 72 -13.166 0.400 7.527 1.00 0.00 N ATOM 223 NH2 ARG A 72 -13.676 0.124 5.346 1.00 0.00 N ATOM 0 H ARG A 72 -16.312 -4.250 7.066 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.336 -3.654 9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.624 -2.053 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.440 -1.466 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.295 -0.410 8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.154 -1.737 10.067 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.169 -1.800 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.168 -3.153 8.187 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.542 -2.112 6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.151 0.046 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.794 1.327 7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.061 -0.446 4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.303 1.052 5.145 1.00 0.00 H new ATOM 237 N LEU A 73 -18.823 -4.715 8.238 1.00 0.00 N ATOM 238 CA LEU A 73 -20.253 -5.055 8.300 1.00 0.00 C ATOM 239 C LEU A 73 -20.468 -6.501 8.753 1.00 0.00 C ATOM 240 O LEU A 73 -21.504 -6.822 9.332 1.00 0.00 O ATOM 241 CB LEU A 73 -20.913 -4.866 6.931 1.00 0.00 C ATOM 242 CG LEU A 73 -20.446 -3.551 6.297 1.00 0.00 C ATOM 243 CD1 LEU A 73 -21.129 -3.373 4.939 1.00 0.00 C ATOM 244 CD2 LEU A 73 -20.815 -2.379 7.211 1.00 0.00 C ATOM 0 H LEU A 73 -18.302 -5.182 7.496 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.709 -4.384 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -20.661 -5.702 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -21.998 -4.861 7.039 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.365 -3.577 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -20.799 -2.438 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -20.865 -4.206 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -22.210 -3.348 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.482 -1.445 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -21.896 -2.351 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.330 -2.506 8.179 1.00 0.00 H new ATOM 256 N VAL A 74 -19.500 -7.377 8.468 1.00 0.00 N ATOM 257 CA VAL A 74 -19.622 -8.793 8.839 1.00 0.00 C ATOM 258 C VAL A 74 -18.707 -9.152 10.009 1.00 0.00 C ATOM 259 O VAL A 74 -19.172 -9.619 11.046 1.00 0.00 O ATOM 260 CB VAL A 74 -19.261 -9.668 7.637 1.00 0.00 C ATOM 261 CG1 VAL A 74 -19.351 -11.143 8.032 1.00 0.00 C ATOM 262 CG2 VAL A 74 -20.236 -9.387 6.492 1.00 0.00 C ATOM 0 H VAL A 74 -18.633 -7.137 7.988 1.00 0.00 H new ATOM 0 HA VAL A 74 -20.653 -8.970 9.145 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.245 -9.440 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.094 -11.766 7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -18.657 -11.344 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -20.367 -11.372 8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -19.980 -10.010 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -21.252 -9.614 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -20.172 -8.336 6.209 1.00 0.00 H new ATOM 272 N LEU A 75 -17.407 -8.947 9.831 1.00 0.00 N ATOM 273 CA LEU A 75 -16.444 -9.272 10.878 1.00 0.00 C ATOM 274 C LEU A 75 -16.708 -8.439 12.132 1.00 0.00 C ATOM 275 O LEU A 75 -16.669 -8.952 13.250 1.00 0.00 O ATOM 276 CB LEU A 75 -15.019 -9.022 10.365 1.00 0.00 C ATOM 277 CG LEU A 75 -13.982 -9.365 11.447 1.00 0.00 C ATOM 278 CD1 LEU A 75 -14.079 -10.853 11.823 1.00 0.00 C ATOM 279 CD2 LEU A 75 -12.581 -9.066 10.900 1.00 0.00 C ATOM 0 H LEU A 75 -16.998 -8.561 8.980 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.552 -10.325 11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.837 -9.625 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.912 -7.978 10.070 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.174 -8.766 12.337 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.340 -11.083 12.590 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.077 -11.067 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.889 -11.464 10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.836 -9.305 11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.401 -9.670 10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.509 -8.010 10.641 1.00 0.00 H new ATOM 291 N ARG A 76 -16.965 -7.151 11.934 1.00 0.00 N ATOM 292 CA ARG A 76 -17.225 -6.240 13.046 1.00 0.00 C ATOM 293 C ARG A 76 -18.677 -6.342 13.506 1.00 0.00 C ATOM 294 O ARG A 76 -19.128 -5.562 14.343 1.00 0.00 O ATOM 295 CB ARG A 76 -16.913 -4.801 12.609 1.00 0.00 C ATOM 296 CG ARG A 76 -16.599 -3.913 13.829 1.00 0.00 C ATOM 297 CD ARG A 76 -15.133 -4.084 14.253 1.00 0.00 C ATOM 298 NE ARG A 76 -14.247 -3.811 13.126 1.00 0.00 N ATOM 299 CZ ARG A 76 -13.905 -2.569 12.799 1.00 0.00 C ATOM 300 NH1 ARG A 76 -14.356 -1.562 13.498 1.00 0.00 N ATOM 301 NH2 ARG A 76 -13.118 -2.354 11.780 1.00 0.00 N ATOM 0 H ARG A 76 -16.999 -6.712 11.014 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.584 -6.517 13.883 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.064 -4.800 11.925 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.762 -4.390 12.064 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -16.794 -2.868 13.586 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.257 -4.176 14.657 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.904 -3.408 15.077 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.968 -5.098 14.617 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.882 -4.590 12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.971 -1.729 14.295 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.094 -0.609 13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.765 -3.140 11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.856 -1.400 11.530 1.00 0.00 H new ATOM 315 N CYS A 77 -19.407 -7.303 12.946 1.00 0.00 N ATOM 316 CA CYS A 77 -20.817 -7.504 13.297 1.00 0.00 C ATOM 317 C CYS A 77 -21.030 -8.871 13.937 1.00 0.00 C ATOM 318 O CYS A 77 -21.646 -8.982 14.998 1.00 0.00 O ATOM 319 CB CYS A 77 -21.685 -7.386 12.045 1.00 0.00 C ATOM 320 SG CYS A 77 -23.412 -7.713 12.476 1.00 0.00 S ATOM 0 H CYS A 77 -19.050 -7.956 12.248 1.00 0.00 H new ATOM 0 HA CYS A 77 -21.102 -6.736 14.016 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -21.589 -6.389 11.615 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -21.348 -8.094 11.288 1.00 0.00 H new ATOM 0 HG CYS A 77 -24.152 -7.611 11.412 1.00 0.00 H new ATOM 326 N SER A 78 -20.532 -9.909 13.279 1.00 0.00 N ATOM 327 CA SER A 78 -20.686 -11.267 13.782 1.00 0.00 C ATOM 328 C SER A 78 -20.022 -11.435 15.145 1.00 0.00 C ATOM 329 O SER A 78 -20.592 -12.053 16.046 1.00 0.00 O ATOM 330 CB SER A 78 -20.078 -12.260 12.794 1.00 0.00 C ATOM 331 OG SER A 78 -20.231 -13.580 13.299 1.00 0.00 O ATOM 0 H SER A 78 -20.020 -9.837 12.400 1.00 0.00 H new ATOM 0 HA SER A 78 -21.752 -11.462 13.894 1.00 0.00 H new ATOM 0 HB2 SER A 78 -20.567 -12.171 11.824 1.00 0.00 H new ATOM 0 HB3 SER A 78 -19.022 -12.037 12.640 1.00 0.00 H new ATOM 0 HG SER A 78 -19.843 -14.219 12.666 1.00 0.00 H new ATOM 337 N ILE A 79 -18.811 -10.896 15.292 1.00 0.00 N ATOM 338 CA ILE A 79 -18.069 -11.005 16.555 1.00 0.00 C ATOM 339 C ILE A 79 -17.789 -9.632 17.157 1.00 0.00 C ATOM 340 O ILE A 79 -17.316 -9.529 18.288 1.00 0.00 O ATOM 341 CB ILE A 79 -16.746 -11.742 16.315 1.00 0.00 C ATOM 342 CG1 ILE A 79 -15.905 -10.991 15.275 1.00 0.00 C ATOM 343 CG2 ILE A 79 -17.038 -13.155 15.804 1.00 0.00 C ATOM 344 CD1 ILE A 79 -14.521 -11.639 15.170 1.00 0.00 C ATOM 0 H ILE A 79 -18.323 -10.382 14.559 1.00 0.00 H new ATOM 0 HA ILE A 79 -18.683 -11.565 17.260 1.00 0.00 H new ATOM 0 HB ILE A 79 -16.192 -11.794 17.252 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -16.403 -11.013 14.305 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -15.807 -9.943 15.559 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -16.099 -13.681 15.633 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -17.627 -13.696 16.545 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -17.597 -13.096 14.870 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -13.924 -11.105 14.431 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -14.024 -11.594 16.139 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -14.629 -12.680 14.865 1.00 0.00 H new ATOM 356 N ASP A 80 -18.080 -8.578 16.402 1.00 0.00 N ATOM 357 CA ASP A 80 -17.844 -7.223 16.892 1.00 0.00 C ATOM 358 C ASP A 80 -16.453 -7.111 17.508 1.00 0.00 C ATOM 359 O ASP A 80 -15.587 -7.872 17.109 1.00 0.00 O ATOM 360 CB ASP A 80 -18.898 -6.856 17.939 1.00 0.00 C ATOM 361 CG ASP A 80 -20.296 -6.991 17.345 1.00 0.00 C ATOM 362 OD1 ASP A 80 -20.508 -6.477 16.259 1.00 0.00 O ATOM 363 OD2 ASP A 80 -21.133 -7.605 17.984 1.00 0.00 O ATOM 364 OXT ASP A 80 -16.275 -6.265 18.368 1.00 0.00 O ATOM 0 H ASP A 80 -18.474 -8.632 15.463 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.913 -6.535 16.050 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.800 -7.506 18.809 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.738 -5.835 18.285 1.00 0.00 H new TER 369 ASP A 80