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= -9.03! C(o=-9!,f=-9.3!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 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 -5.020 -1.227 5.398 1.00 0.00 N ATOM 2 CA ASP A 59 -6.381 -1.668 4.985 1.00 0.00 C ATOM 3 C ASP A 59 -6.998 -0.632 4.059 1.00 0.00 C ATOM 4 O ASP A 59 -7.960 0.038 4.424 1.00 0.00 O ATOM 5 CB ASP A 59 -7.262 -1.839 6.220 1.00 0.00 C ATOM 6 CG ASP A 59 -7.357 -0.518 6.978 1.00 0.00 C ATOM 7 OD1 ASP A 59 -6.788 0.453 6.509 1.00 0.00 O ATOM 8 OD2 ASP A 59 -7.997 -0.497 8.016 1.00 0.00 O ATOM 0 HA ASP A 59 -6.305 -2.620 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.257 -2.171 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.848 -2.611 6.868 1.00 0.00 H new ATOM 15 N THR A 60 -6.444 -0.510 2.853 1.00 0.00 N ATOM 16 CA THR A 60 -6.952 0.439 1.870 1.00 0.00 C ATOM 17 C THR A 60 -6.901 -0.163 0.474 1.00 0.00 C ATOM 18 O THR A 60 -5.916 -0.790 0.090 1.00 0.00 O ATOM 19 CB THR A 60 -6.125 1.722 1.912 1.00 0.00 C ATOM 20 OG1 THR A 60 -4.759 1.414 1.676 1.00 0.00 O ATOM 21 CG2 THR A 60 -6.279 2.373 3.287 1.00 0.00 C ATOM 0 H THR A 60 -5.644 -1.057 2.536 1.00 0.00 H new ATOM 0 HA THR A 60 -7.989 0.671 2.112 1.00 0.00 H new ATOM 0 HB THR A 60 -6.474 2.411 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.229 2.238 1.701 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.691 3.290 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.329 2.608 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.928 1.686 4.056 1.00 0.00 H new ATOM 29 N LEU A 61 -7.975 0.038 -0.278 1.00 0.00 N ATOM 30 CA LEU A 61 -8.066 -0.480 -1.638 1.00 0.00 C ATOM 31 C LEU A 61 -8.295 -1.985 -1.603 1.00 0.00 C ATOM 32 O LEU A 61 -8.411 -2.639 -2.639 1.00 0.00 O ATOM 33 CB LEU A 61 -6.782 -0.129 -2.433 1.00 0.00 C ATOM 34 CG LEU A 61 -7.144 0.434 -3.814 1.00 0.00 C ATOM 35 CD1 LEU A 61 -5.874 0.915 -4.517 1.00 0.00 C ATOM 36 CD2 LEU A 61 -7.810 -0.660 -4.652 1.00 0.00 C ATOM 0 H LEU A 61 -8.797 0.557 0.031 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.912 -0.015 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.192 0.601 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.163 -1.019 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.833 1.271 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.130 1.315 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.400 1.694 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.185 0.079 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.067 -0.261 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.122 -1.497 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.715 -1.002 -4.151 1.00 0.00 H new ATOM 48 N LEU A 62 -8.371 -2.511 -0.393 1.00 0.00 N ATOM 49 CA LEU A 62 -8.602 -3.927 -0.184 1.00 0.00 C ATOM 50 C LEU A 62 -8.943 -4.143 1.279 1.00 0.00 C ATOM 51 O LEU A 62 -8.263 -4.871 2.000 1.00 0.00 O ATOM 52 CB LEU A 62 -7.372 -4.767 -0.587 1.00 0.00 C ATOM 53 CG LEU A 62 -6.066 -4.022 -0.262 1.00 0.00 C ATOM 54 CD1 LEU A 62 -5.819 -4.006 1.249 1.00 0.00 C ATOM 55 CD2 LEU A 62 -4.901 -4.736 -0.952 1.00 0.00 C ATOM 0 H LEU A 62 -8.275 -1.971 0.467 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.428 -4.254 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.391 -5.722 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.412 -4.989 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.146 -2.995 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.891 -3.475 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.647 -3.502 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.743 -5.030 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.970 -4.215 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.838 -5.763 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.064 -4.740 -2.030 1.00 0.00 H new ATOM 67 N GLY A 63 -10.011 -3.485 1.698 1.00 0.00 N ATOM 68 CA GLY A 63 -10.476 -3.571 3.080 1.00 0.00 C ATOM 69 C GLY A 63 -11.210 -2.300 3.493 1.00 0.00 C ATOM 70 O GLY A 63 -11.729 -2.205 4.604 1.00 0.00 O ATOM 0 H GLY A 63 -10.577 -2.882 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.138 -4.429 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.627 -3.736 3.743 1.00 0.00 H new ATOM 74 N ARG A 64 -11.249 -1.324 2.590 1.00 0.00 N ATOM 75 CA ARG A 64 -11.913 -0.053 2.851 1.00 0.00 C ATOM 76 C ARG A 64 -12.843 0.312 1.689 1.00 0.00 C ATOM 77 O ARG A 64 -13.524 1.337 1.737 1.00 0.00 O ATOM 78 CB ARG A 64 -10.836 1.035 3.036 1.00 0.00 C ATOM 79 CG ARG A 64 -11.233 2.032 4.141 1.00 0.00 C ATOM 80 CD ARG A 64 -10.803 1.507 5.524 1.00 0.00 C ATOM 81 NE ARG A 64 -10.776 0.047 5.547 1.00 0.00 N ATOM 82 CZ ARG A 64 -10.592 -0.613 6.686 1.00 0.00 C ATOM 83 NH1 ARG A 64 -10.463 0.044 7.806 1.00 0.00 N ATOM 84 NH2 ARG A 64 -10.541 -1.918 6.690 1.00 0.00 N ATOM 0 H ARG A 64 -10.825 -1.392 1.665 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.518 -0.132 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.884 0.568 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.690 1.569 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.766 2.998 3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.311 2.191 4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.816 1.896 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.491 1.873 6.286 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.900 -0.473 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.503 1.063 7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.322 -0.462 8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.643 -2.435 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.400 -2.420 7.566 1.00 0.00 H new ATOM 98 N ILE A 65 -12.850 -0.515 0.627 1.00 0.00 N ATOM 99 CA ILE A 65 -13.681 -0.231 -0.545 1.00 0.00 C ATOM 100 C ILE A 65 -14.519 -1.432 -1.001 1.00 0.00 C ATOM 101 O ILE A 65 -15.748 -1.360 -0.988 1.00 0.00 O ATOM 102 CB ILE A 65 -12.786 0.229 -1.693 1.00 0.00 C ATOM 103 CG1 ILE A 65 -11.800 1.286 -1.170 1.00 0.00 C ATOM 104 CG2 ILE A 65 -13.641 0.845 -2.814 1.00 0.00 C ATOM 105 CD1 ILE A 65 -10.903 1.775 -2.311 1.00 0.00 C ATOM 0 H ILE A 65 -12.298 -1.370 0.561 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.384 0.551 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 65 -12.241 -0.628 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.347 2.125 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.190 0.863 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -12.994 1.170 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -14.345 0.101 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.191 1.701 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.207 2.524 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.343 0.934 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -11.519 2.216 -3.095 1.00 0.00 H new ATOM 117 N LEU A 66 -13.869 -2.523 -1.434 1.00 0.00 N ATOM 118 CA LEU A 66 -14.615 -3.699 -1.923 1.00 0.00 C ATOM 119 C LEU A 66 -14.751 -4.769 -0.834 1.00 0.00 C ATOM 120 O LEU A 66 -15.870 -5.075 -0.422 1.00 0.00 O ATOM 121 CB LEU A 66 -13.987 -4.303 -3.220 1.00 0.00 C ATOM 122 CG LEU A 66 -12.714 -3.546 -3.641 1.00 0.00 C ATOM 123 CD1 LEU A 66 -11.963 -4.368 -4.694 1.00 0.00 C ATOM 124 CD2 LEU A 66 -13.095 -2.190 -4.250 1.00 0.00 C ATOM 0 H LEU A 66 -12.854 -2.619 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.614 -3.348 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.748 -5.353 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.717 -4.266 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.083 -3.390 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.061 -3.836 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.690 -5.336 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.603 -4.518 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.191 -1.658 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.726 -2.348 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.638 -1.600 -3.512 1.00 0.00 H new ATOM 136 N PRO A 67 -13.675 -5.352 -0.349 1.00 0.00 N ATOM 137 CA PRO A 67 -13.780 -6.391 0.703 1.00 0.00 C ATOM 138 C PRO A 67 -14.093 -5.773 2.061 1.00 0.00 C ATOM 139 O PRO A 67 -14.339 -6.487 3.030 1.00 0.00 O ATOM 140 CB PRO A 67 -12.414 -7.074 0.680 1.00 0.00 C ATOM 141 CG PRO A 67 -11.478 -5.996 0.266 1.00 0.00 C ATOM 142 CD PRO A 67 -12.259 -5.107 -0.712 1.00 0.00 C ATOM 0 HA PRO A 67 -14.592 -7.096 0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.152 -7.475 1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.397 -7.908 -0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.138 -5.422 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.590 -6.412 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.992 -4.056 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.058 -5.378 -1.748 1.00 0.00 H new ATOM 150 N GLN A 68 -14.097 -4.438 2.137 1.00 0.00 N ATOM 151 CA GLN A 68 -14.401 -3.793 3.401 1.00 0.00 C ATOM 152 C GLN A 68 -15.752 -4.288 3.866 1.00 0.00 C ATOM 153 O GLN A 68 -16.095 -4.240 5.047 1.00 0.00 O ATOM 154 CB GLN A 68 -14.433 -2.267 3.226 1.00 0.00 C ATOM 155 CG GLN A 68 -15.746 -1.788 2.570 1.00 0.00 C ATOM 156 CD GLN A 68 -15.805 -0.269 2.602 1.00 0.00 C ATOM 157 OE1 GLN A 68 -15.685 0.385 1.572 1.00 0.00 O ATOM 158 NE2 GLN A 68 -15.991 0.332 3.743 1.00 0.00 N ATOM 0 H GLN A 68 -13.899 -3.807 1.360 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.635 -4.034 4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.318 -1.788 4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.587 -1.954 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.801 -2.143 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.603 -2.207 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.090 -0.216 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.037 1.350 3.782 1.00 0.00 H new ATOM 167 N LEU A 69 -16.515 -4.743 2.887 1.00 0.00 N ATOM 168 CA LEU A 69 -17.854 -5.237 3.128 1.00 0.00 C ATOM 169 C LEU A 69 -17.775 -6.404 4.082 1.00 0.00 C ATOM 170 O LEU A 69 -18.588 -6.541 4.987 1.00 0.00 O ATOM 171 CB LEU A 69 -18.480 -5.701 1.809 1.00 0.00 C ATOM 172 CG LEU A 69 -18.705 -4.504 0.872 1.00 0.00 C ATOM 173 CD1 LEU A 69 -19.121 -5.023 -0.507 1.00 0.00 C ATOM 174 CD2 LEU A 69 -19.806 -3.586 1.429 1.00 0.00 C ATOM 0 H LEU A 69 -16.224 -4.779 1.910 1.00 0.00 H new ATOM 0 HA LEU A 69 -18.468 -4.444 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.829 -6.431 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.429 -6.201 2.005 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.781 -3.932 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.283 -4.180 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.334 -5.661 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -20.043 -5.598 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -19.953 -2.743 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -20.737 -4.147 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -19.510 -3.217 2.411 1.00 0.00 H new ATOM 186 N VAL A 70 -16.763 -7.232 3.892 1.00 0.00 N ATOM 187 CA VAL A 70 -16.561 -8.380 4.763 1.00 0.00 C ATOM 188 C VAL A 70 -15.560 -8.024 5.852 1.00 0.00 C ATOM 189 O VAL A 70 -14.745 -8.851 6.258 1.00 0.00 O ATOM 190 CB VAL A 70 -16.061 -9.587 3.965 1.00 0.00 C ATOM 191 CG1 VAL A 70 -17.148 -10.037 2.986 1.00 0.00 C ATOM 192 CG2 VAL A 70 -14.797 -9.222 3.178 1.00 0.00 C ATOM 0 H VAL A 70 -16.072 -7.134 3.148 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.515 -8.645 5.219 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.827 -10.393 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.793 -10.896 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.045 -10.314 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.382 -9.221 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.455 -10.091 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.020 -8.409 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.016 -8.906 3.870 1.00 0.00 H new ATOM 202 N CYS A 71 -15.624 -6.773 6.315 1.00 0.00 N ATOM 203 CA CYS A 71 -14.712 -6.296 7.357 1.00 0.00 C ATOM 204 C CYS A 71 -15.461 -5.462 8.389 1.00 0.00 C ATOM 205 O CYS A 71 -15.248 -5.612 9.591 1.00 0.00 O ATOM 206 CB CYS A 71 -13.605 -5.450 6.729 1.00 0.00 C ATOM 207 SG CYS A 71 -12.326 -5.118 7.965 1.00 0.00 S ATOM 0 H CYS A 71 -16.293 -6.076 5.987 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.276 -7.162 7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.174 -5.972 5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.017 -4.513 6.355 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.383 -4.400 7.431 1.00 0.00 H new ATOM 213 N ARG A 72 -16.330 -4.569 7.917 1.00 0.00 N ATOM 214 CA ARG A 72 -17.099 -3.707 8.817 1.00 0.00 C ATOM 215 C ARG A 72 -18.554 -4.164 8.894 1.00 0.00 C ATOM 216 O ARG A 72 -19.305 -3.677 9.738 1.00 0.00 O ATOM 217 CB ARG A 72 -17.041 -2.245 8.316 1.00 0.00 C ATOM 218 CG ARG A 72 -15.824 -1.506 8.908 1.00 0.00 C ATOM 219 CD ARG A 72 -14.555 -1.925 8.168 1.00 0.00 C ATOM 220 NE ARG A 72 -14.548 -1.341 6.831 1.00 0.00 N ATOM 221 CZ ARG A 72 -14.132 -0.089 6.635 1.00 0.00 C ATOM 222 NH1 ARG A 72 -13.716 0.621 7.648 1.00 0.00 N ATOM 223 NH2 ARG A 72 -14.138 0.427 5.438 1.00 0.00 N ATOM 0 H ARG A 72 -16.519 -4.423 6.925 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.661 -3.771 9.813 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.985 -2.232 7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.958 -1.725 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.965 -0.428 8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.729 -1.734 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.675 -1.598 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.504 -3.012 8.101 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.865 -1.897 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.710 0.218 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.397 1.579 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.462 -0.127 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.819 1.385 5.294 1.00 0.00 H new ATOM 237 N LEU A 73 -18.965 -5.086 8.011 1.00 0.00 N ATOM 238 CA LEU A 73 -20.357 -5.558 8.021 1.00 0.00 C ATOM 239 C LEU A 73 -20.461 -6.991 8.540 1.00 0.00 C ATOM 240 O LEU A 73 -21.393 -7.325 9.270 1.00 0.00 O ATOM 241 CB LEU A 73 -20.956 -5.497 6.613 1.00 0.00 C ATOM 242 CG LEU A 73 -20.591 -4.167 5.948 1.00 0.00 C ATOM 243 CD1 LEU A 73 -21.230 -4.104 4.561 1.00 0.00 C ATOM 244 CD2 LEU A 73 -21.105 -3.002 6.803 1.00 0.00 C ATOM 0 H LEU A 73 -18.371 -5.510 7.298 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.913 -4.900 8.689 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -20.583 -6.328 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -22.040 -5.602 6.665 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.507 -4.093 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -20.972 -3.158 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -20.861 -4.930 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -22.313 -4.179 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.843 -2.057 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -22.188 -3.072 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.649 -3.048 7.792 1.00 0.00 H new ATOM 256 N VAL A 74 -19.514 -7.841 8.147 1.00 0.00 N ATOM 257 CA VAL A 74 -19.538 -9.244 8.574 1.00 0.00 C ATOM 258 C VAL A 74 -18.771 -9.444 9.880 1.00 0.00 C ATOM 259 O VAL A 74 -19.318 -9.968 10.851 1.00 0.00 O ATOM 260 CB VAL A 74 -18.930 -10.127 7.483 1.00 0.00 C ATOM 261 CG1 VAL A 74 -18.964 -11.592 7.929 1.00 0.00 C ATOM 262 CG2 VAL A 74 -19.742 -9.971 6.197 1.00 0.00 C ATOM 0 H VAL A 74 -18.731 -7.591 7.543 1.00 0.00 H new ATOM 0 HA VAL A 74 -20.577 -9.526 8.744 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.897 -9.826 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -18.530 -12.220 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -18.390 -11.706 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.996 -11.895 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -19.312 -10.599 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -20.773 -10.274 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.721 -8.929 5.877 1.00 0.00 H new ATOM 272 N LEU A 75 -17.509 -9.028 9.901 1.00 0.00 N ATOM 273 CA LEU A 75 -16.695 -9.177 11.103 1.00 0.00 C ATOM 274 C LEU A 75 -17.279 -8.350 12.245 1.00 0.00 C ATOM 275 O LEU A 75 -17.294 -8.790 13.393 1.00 0.00 O ATOM 276 CB LEU A 75 -15.246 -8.744 10.832 1.00 0.00 C ATOM 277 CG LEU A 75 -14.493 -9.826 10.032 1.00 0.00 C ATOM 278 CD1 LEU A 75 -14.196 -11.053 10.915 1.00 0.00 C ATOM 279 CD2 LEU A 75 -15.329 -10.253 8.823 1.00 0.00 C ATOM 0 H LEU A 75 -17.033 -8.591 9.112 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.698 -10.229 11.389 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.240 -7.805 10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.734 -8.561 11.776 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.546 -9.406 9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.664 -11.803 10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.580 -10.751 11.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.133 -11.474 11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.792 -11.018 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.283 -10.656 9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.508 -9.390 8.181 1.00 0.00 H new ATOM 291 N ARG A 76 -17.761 -7.156 11.917 1.00 0.00 N ATOM 292 CA ARG A 76 -18.346 -6.273 12.915 1.00 0.00 C ATOM 293 C ARG A 76 -19.536 -6.950 13.578 1.00 0.00 C ATOM 294 O ARG A 76 -19.711 -6.875 14.781 1.00 0.00 O ATOM 295 CB ARG A 76 -18.797 -4.969 12.259 1.00 0.00 C ATOM 296 CG ARG A 76 -19.357 -4.023 13.324 1.00 0.00 C ATOM 297 CD ARG A 76 -19.710 -2.690 12.673 1.00 0.00 C ATOM 298 NE ARG A 76 -20.745 -2.890 11.667 1.00 0.00 N ATOM 299 CZ ARG A 76 -22.031 -2.949 12.000 1.00 0.00 C ATOM 300 NH1 ARG A 76 -22.388 -2.811 13.247 1.00 0.00 N ATOM 301 NH2 ARG A 76 -22.936 -3.144 11.079 1.00 0.00 N ATOM 0 H ARG A 76 -17.757 -6.779 10.969 1.00 0.00 H new ATOM 0 HA ARG A 76 -17.593 -6.052 13.672 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -17.958 -4.499 11.746 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -19.557 -5.174 11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -20.241 -4.460 13.788 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -18.623 -3.872 14.116 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -20.057 -1.986 13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -18.823 -2.253 12.214 1.00 0.00 H new ATOM 0 HE ARG A 76 -20.478 -2.987 10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -21.681 -2.658 13.966 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -23.374 -2.856 13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -22.656 -3.251 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -23.922 -3.189 11.335 1.00 0.00 H new ATOM 315 N CYS A 77 -20.358 -7.604 12.783 1.00 0.00 N ATOM 316 CA CYS A 77 -21.527 -8.284 13.314 1.00 0.00 C ATOM 317 C CYS A 77 -21.128 -9.384 14.295 1.00 0.00 C ATOM 318 O CYS A 77 -21.715 -9.516 15.365 1.00 0.00 O ATOM 319 CB CYS A 77 -22.340 -8.890 12.171 1.00 0.00 C ATOM 320 SG CYS A 77 -23.812 -9.703 12.841 1.00 0.00 S ATOM 0 H CYS A 77 -20.242 -7.680 11.773 1.00 0.00 H new ATOM 0 HA CYS A 77 -22.131 -7.550 13.847 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -22.631 -8.112 11.465 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -21.733 -9.609 11.621 1.00 0.00 H new ATOM 0 HG CYS A 77 -24.505 -10.217 11.868 1.00 0.00 H new ATOM 326 N SER A 78 -20.152 -10.195 13.908 1.00 0.00 N ATOM 327 CA SER A 78 -19.713 -11.298 14.754 1.00 0.00 C ATOM 328 C SER A 78 -19.029 -10.828 16.040 1.00 0.00 C ATOM 329 O SER A 78 -19.251 -11.401 17.106 1.00 0.00 O ATOM 330 CB SER A 78 -18.760 -12.201 13.973 1.00 0.00 C ATOM 331 OG SER A 78 -19.467 -12.810 12.899 1.00 0.00 O ATOM 0 H SER A 78 -19.653 -10.112 13.022 1.00 0.00 H new ATOM 0 HA SER A 78 -20.608 -11.848 15.046 1.00 0.00 H new ATOM 0 HB2 SER A 78 -17.922 -11.620 13.589 1.00 0.00 H new ATOM 0 HB3 SER A 78 -18.344 -12.965 14.630 1.00 0.00 H new ATOM 0 HG SER A 78 -18.859 -13.389 12.394 1.00 0.00 H new ATOM 337 N ILE A 79 -18.177 -9.810 15.938 1.00 0.00 N ATOM 338 CA ILE A 79 -17.448 -9.310 17.115 1.00 0.00 C ATOM 339 C ILE A 79 -18.157 -8.118 17.751 1.00 0.00 C ATOM 340 O ILE A 79 -18.065 -7.901 18.960 1.00 0.00 O ATOM 341 CB ILE A 79 -16.019 -8.908 16.708 1.00 0.00 C ATOM 342 CG1 ILE A 79 -15.142 -8.771 17.962 1.00 0.00 C ATOM 343 CG2 ILE A 79 -16.037 -7.571 15.951 1.00 0.00 C ATOM 344 CD1 ILE A 79 -13.680 -8.596 17.542 1.00 0.00 C ATOM 0 H ILE A 79 -17.972 -9.317 15.069 1.00 0.00 H new ATOM 0 HA ILE A 79 -17.412 -10.111 17.853 1.00 0.00 H new ATOM 0 HB ILE A 79 -15.610 -9.681 16.057 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -15.467 -7.916 18.555 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -15.248 -9.654 18.592 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -15.020 -7.299 15.669 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -16.648 -7.669 15.054 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -16.456 -6.795 16.592 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -13.056 -8.499 18.430 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -13.360 -9.465 16.967 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.582 -7.700 16.930 1.00 0.00 H new ATOM 356 N ASP A 80 -18.843 -7.339 16.924 1.00 0.00 N ATOM 357 CA ASP A 80 -19.549 -6.147 17.406 1.00 0.00 C ATOM 358 C ASP A 80 -18.722 -5.415 18.466 1.00 0.00 C ATOM 359 O ASP A 80 -19.311 -4.921 19.413 1.00 0.00 O ATOM 360 CB ASP A 80 -20.912 -6.532 17.994 1.00 0.00 C ATOM 361 CG ASP A 80 -21.540 -7.651 17.180 1.00 0.00 C ATOM 362 OD1 ASP A 80 -22.141 -7.348 16.165 1.00 0.00 O ATOM 363 OD2 ASP A 80 -21.413 -8.794 17.587 1.00 0.00 O ATOM 364 OXT ASP A 80 -17.513 -5.362 18.311 1.00 0.00 O ATOM 0 H ASP A 80 -18.929 -7.505 15.921 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.700 -5.481 16.556 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.792 -6.850 19.030 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.571 -5.664 18.001 1.00 0.00 H new TER 369 ASP A 80