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= -8.51! C(o=-8.5!,f=-8.3!) USER MOD Single : A 71 CYS SG : rot 160:sc= 0.0432 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 -5.431 -2.119 5.295 1.00 0.00 N ATOM 2 CA ASP A 59 -6.914 -2.147 5.424 1.00 0.00 C ATOM 3 C ASP A 59 -7.528 -1.174 4.428 1.00 0.00 C ATOM 4 O ASP A 59 -8.733 -0.927 4.456 1.00 0.00 O ATOM 5 CB ASP A 59 -7.310 -1.745 6.844 1.00 0.00 C ATOM 6 CG ASP A 59 -6.978 -2.868 7.818 1.00 0.00 C ATOM 7 OD1 ASP A 59 -6.689 -3.960 7.357 1.00 0.00 O ATOM 8 OD2 ASP A 59 -7.015 -2.619 9.013 1.00 0.00 O ATOM 0 HA ASP A 59 -7.278 -3.154 5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.784 -0.835 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.376 -1.522 6.883 1.00 0.00 H new ATOM 15 N THR A 60 -6.693 -0.617 3.550 1.00 0.00 N ATOM 16 CA THR A 60 -7.156 0.336 2.547 1.00 0.00 C ATOM 17 C THR A 60 -6.915 -0.188 1.141 1.00 0.00 C ATOM 18 O THR A 60 -5.930 -0.871 0.877 1.00 0.00 O ATOM 19 CB THR A 60 -6.425 1.668 2.725 1.00 0.00 C ATOM 20 OG1 THR A 60 -5.025 1.460 2.598 1.00 0.00 O ATOM 21 CG2 THR A 60 -6.739 2.236 4.110 1.00 0.00 C ATOM 0 H THR A 60 -5.692 -0.811 3.515 1.00 0.00 H new ATOM 0 HA THR A 60 -8.228 0.479 2.683 1.00 0.00 H new ATOM 0 HB THR A 60 -6.755 2.373 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.556 2.313 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.220 3.185 4.240 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.813 2.394 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.408 1.534 4.875 1.00 0.00 H new ATOM 29 N LEU A 61 -7.846 0.150 0.258 1.00 0.00 N ATOM 30 CA LEU A 61 -7.795 -0.260 -1.145 1.00 0.00 C ATOM 31 C LEU A 61 -8.055 -1.754 -1.260 1.00 0.00 C ATOM 32 O LEU A 61 -8.065 -2.320 -2.353 1.00 0.00 O ATOM 33 CB LEU A 61 -6.438 0.079 -1.783 1.00 0.00 C ATOM 34 CG LEU A 61 -6.050 1.526 -1.462 1.00 0.00 C ATOM 35 CD1 LEU A 61 -4.726 1.859 -2.156 1.00 0.00 C ATOM 36 CD2 LEU A 61 -7.149 2.481 -1.946 1.00 0.00 C ATOM 0 H LEU A 61 -8.661 0.717 0.492 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.569 0.290 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.672 -0.602 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.490 -0.060 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.934 1.641 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.446 2.888 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.948 1.184 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.841 1.742 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.866 3.508 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.276 2.374 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.087 2.241 -1.445 1.00 0.00 H new ATOM 48 N LEU A 62 -8.284 -2.374 -0.115 1.00 0.00 N ATOM 49 CA LEU A 62 -8.570 -3.794 -0.049 1.00 0.00 C ATOM 50 C LEU A 62 -9.053 -4.112 1.357 1.00 0.00 C ATOM 51 O LEU A 62 -8.445 -4.885 2.095 1.00 0.00 O ATOM 52 CB LEU A 62 -7.333 -4.644 -0.402 1.00 0.00 C ATOM 53 CG LEU A 62 -6.042 -3.977 0.093 1.00 0.00 C ATOM 54 CD1 LEU A 62 -5.930 -4.085 1.615 1.00 0.00 C ATOM 55 CD2 LEU A 62 -4.844 -4.682 -0.544 1.00 0.00 C ATOM 0 H LEU A 62 -8.277 -1.907 0.792 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.338 -4.041 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.429 -5.634 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.282 -4.785 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.059 -2.923 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.009 -3.607 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.783 -3.590 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.918 -5.136 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.921 -4.215 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.847 -5.734 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.908 -4.600 -1.629 1.00 0.00 H new ATOM 67 N GLY A 63 -10.155 -3.477 1.711 1.00 0.00 N ATOM 68 CA GLY A 63 -10.747 -3.635 3.035 1.00 0.00 C ATOM 69 C GLY A 63 -11.536 -2.389 3.426 1.00 0.00 C ATOM 70 O GLY A 63 -12.157 -2.340 4.487 1.00 0.00 O ATOM 0 H GLY A 63 -10.665 -2.841 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.404 -4.505 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.963 -3.820 3.769 1.00 0.00 H new ATOM 74 N ARG A 64 -11.501 -1.382 2.557 1.00 0.00 N ATOM 75 CA ARG A 64 -12.203 -0.125 2.786 1.00 0.00 C ATOM 76 C ARG A 64 -13.066 0.218 1.568 1.00 0.00 C ATOM 77 O ARG A 64 -13.822 1.190 1.596 1.00 0.00 O ATOM 78 CB ARG A 64 -11.163 0.976 3.047 1.00 0.00 C ATOM 79 CG ARG A 64 -11.711 2.041 4.014 1.00 0.00 C ATOM 80 CD ARG A 64 -11.505 1.601 5.479 1.00 0.00 C ATOM 81 NE ARG A 64 -11.510 0.145 5.594 1.00 0.00 N ATOM 82 CZ ARG A 64 -11.560 -0.448 6.783 1.00 0.00 C ATOM 83 NH1 ARG A 64 -11.622 0.273 7.867 1.00 0.00 N ATOM 84 NH2 ARG A 64 -11.550 -1.750 6.865 1.00 0.00 N ATOM 0 H ARG A 64 -10.986 -1.415 1.677 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.861 -0.211 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.258 0.534 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.883 1.446 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.207 2.992 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.772 2.202 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.560 1.995 5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.294 2.021 6.103 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.475 -0.426 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.632 1.291 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.660 -0.181 8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.504 -2.314 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.588 -2.204 7.778 1.00 0.00 H new ATOM 98 N ILE A 65 -12.948 -0.586 0.495 1.00 0.00 N ATOM 99 CA ILE A 65 -13.724 -0.350 -0.725 1.00 0.00 C ATOM 100 C ILE A 65 -14.542 -1.577 -1.147 1.00 0.00 C ATOM 101 O ILE A 65 -15.768 -1.497 -1.223 1.00 0.00 O ATOM 102 CB ILE A 65 -12.790 0.058 -1.865 1.00 0.00 C ATOM 103 CG1 ILE A 65 -11.805 1.116 -1.371 1.00 0.00 C ATOM 104 CG2 ILE A 65 -13.612 0.649 -3.013 1.00 0.00 C ATOM 105 CD1 ILE A 65 -10.853 1.474 -2.510 1.00 0.00 C ATOM 0 H ILE A 65 -12.328 -1.395 0.453 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.427 0.454 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 65 -12.245 -0.821 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.342 2.003 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.245 0.739 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -12.946 0.940 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -14.321 -0.096 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.155 1.525 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.145 2.229 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.310 0.583 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -11.424 1.866 -3.352 1.00 0.00 H new ATOM 117 N LEU A 66 -13.875 -2.711 -1.437 1.00 0.00 N ATOM 118 CA LEU A 66 -14.597 -3.930 -1.870 1.00 0.00 C ATOM 119 C LEU A 66 -14.615 -4.985 -0.762 1.00 0.00 C ATOM 120 O LEU A 66 -15.686 -5.460 -0.390 1.00 0.00 O ATOM 121 CB LEU A 66 -14.014 -4.533 -3.185 1.00 0.00 C ATOM 122 CG LEU A 66 -13.139 -3.505 -3.915 1.00 0.00 C ATOM 123 CD1 LEU A 66 -12.408 -4.193 -5.069 1.00 0.00 C ATOM 124 CD2 LEU A 66 -14.029 -2.382 -4.468 1.00 0.00 C ATOM 0 H LEU A 66 -12.861 -2.812 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.622 -3.624 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.424 -5.420 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.828 -4.852 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.411 -3.084 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.785 -3.466 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.780 -4.993 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.137 -4.611 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.411 -1.650 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.755 -2.802 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.554 -1.896 -3.646 1.00 0.00 H new ATOM 136 N PRO A 67 -13.484 -5.372 -0.216 1.00 0.00 N ATOM 137 CA PRO A 67 -13.454 -6.389 0.865 1.00 0.00 C ATOM 138 C PRO A 67 -13.936 -5.788 2.177 1.00 0.00 C ATOM 139 O PRO A 67 -14.137 -6.496 3.160 1.00 0.00 O ATOM 140 CB PRO A 67 -11.973 -6.834 0.935 1.00 0.00 C ATOM 141 CG PRO A 67 -11.314 -6.190 -0.247 1.00 0.00 C ATOM 142 CD PRO A 67 -12.118 -4.920 -0.517 1.00 0.00 C ATOM 0 HA PRO A 67 -14.115 -7.234 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.509 -6.514 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.885 -7.920 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.270 -5.957 -0.036 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.324 -6.853 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.808 -4.094 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.015 -4.580 -1.548 1.00 0.00 H new ATOM 150 N GLN A 68 -14.106 -4.465 2.197 1.00 0.00 N ATOM 151 CA GLN A 68 -14.547 -3.810 3.407 1.00 0.00 C ATOM 152 C GLN A 68 -15.873 -4.401 3.841 1.00 0.00 C ATOM 153 O GLN A 68 -16.239 -4.372 5.017 1.00 0.00 O ATOM 154 CB GLN A 68 -14.695 -2.306 3.151 1.00 0.00 C ATOM 155 CG GLN A 68 -16.052 -1.960 2.503 1.00 0.00 C ATOM 156 CD GLN A 68 -16.136 -0.460 2.270 1.00 0.00 C ATOM 157 OE1 GLN A 68 -15.940 0.013 1.154 1.00 0.00 O ATOM 158 NE2 GLN A 68 -16.417 0.317 3.277 1.00 0.00 N ATOM 0 H GLN A 68 -13.946 -3.846 1.402 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.813 -3.962 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.595 -1.767 4.093 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.887 -1.968 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.162 -2.492 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.868 -2.285 3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.578 -0.084 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.476 1.326 3.142 1.00 0.00 H new ATOM 167 N LEU A 69 -16.586 -4.926 2.861 1.00 0.00 N ATOM 168 CA LEU A 69 -17.883 -5.520 3.113 1.00 0.00 C ATOM 169 C LEU A 69 -17.720 -6.581 4.171 1.00 0.00 C ATOM 170 O LEU A 69 -18.465 -6.639 5.140 1.00 0.00 O ATOM 171 CB LEU A 69 -18.422 -6.147 1.813 1.00 0.00 C ATOM 172 CG LEU A 69 -19.251 -5.119 1.046 1.00 0.00 C ATOM 173 CD1 LEU A 69 -18.411 -3.867 0.770 1.00 0.00 C ATOM 174 CD2 LEU A 69 -19.725 -5.727 -0.276 1.00 0.00 C ATOM 0 H LEU A 69 -16.288 -4.952 1.886 1.00 0.00 H new ATOM 0 HA LEU A 69 -18.589 -4.763 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.594 -6.493 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.033 -7.019 2.045 1.00 0.00 H new ATOM 0 HG LEU A 69 -20.116 -4.838 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.011 -3.140 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.086 -3.432 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.538 -4.138 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -20.317 -4.993 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.861 -6.015 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -20.336 -6.607 -0.074 1.00 0.00 H new ATOM 186 N VAL A 70 -16.707 -7.395 3.987 1.00 0.00 N ATOM 187 CA VAL A 70 -16.413 -8.446 4.947 1.00 0.00 C ATOM 188 C VAL A 70 -15.497 -7.903 6.032 1.00 0.00 C ATOM 189 O VAL A 70 -14.579 -8.587 6.489 1.00 0.00 O ATOM 190 CB VAL A 70 -15.770 -9.655 4.263 1.00 0.00 C ATOM 191 CG1 VAL A 70 -16.761 -10.270 3.275 1.00 0.00 C ATOM 192 CG2 VAL A 70 -14.505 -9.232 3.506 1.00 0.00 C ATOM 0 H VAL A 70 -16.073 -7.355 3.189 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.349 -8.777 5.396 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.502 -10.385 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.303 -11.131 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.656 -10.589 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.032 -9.529 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.060 -10.103 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.765 -8.493 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.790 -8.799 4.206 1.00 0.00 H new ATOM 202 N CYS A 71 -15.751 -6.656 6.433 1.00 0.00 N ATOM 203 CA CYS A 71 -14.949 -6.000 7.464 1.00 0.00 C ATOM 204 C CYS A 71 -15.839 -5.155 8.368 1.00 0.00 C ATOM 205 O CYS A 71 -15.713 -5.194 9.591 1.00 0.00 O ATOM 206 CB CYS A 71 -13.889 -5.110 6.815 1.00 0.00 C ATOM 207 SG CYS A 71 -12.645 -4.657 8.049 1.00 0.00 S ATOM 0 H CYS A 71 -16.506 -6.081 6.059 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.459 -6.767 8.063 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.418 -5.634 5.983 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.353 -4.213 6.405 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.555 -4.281 7.449 1.00 0.00 H new ATOM 213 N ARG A 72 -16.736 -4.378 7.761 1.00 0.00 N ATOM 214 CA ARG A 72 -17.642 -3.517 8.526 1.00 0.00 C ATOM 215 C ARG A 72 -19.055 -4.101 8.547 1.00 0.00 C ATOM 216 O ARG A 72 -19.907 -3.620 9.295 1.00 0.00 O ATOM 217 CB ARG A 72 -17.670 -2.100 7.905 1.00 0.00 C ATOM 218 CG ARG A 72 -16.590 -1.201 8.536 1.00 0.00 C ATOM 219 CD ARG A 72 -15.221 -1.561 7.964 1.00 0.00 C ATOM 220 NE ARG A 72 -15.126 -1.098 6.586 1.00 0.00 N ATOM 221 CZ ARG A 72 -14.796 0.163 6.310 1.00 0.00 C ATOM 222 NH1 ARG A 72 -14.538 0.994 7.283 1.00 0.00 N ATOM 223 NH2 ARG A 72 -14.732 0.572 5.073 1.00 0.00 N ATOM 0 H ARG A 72 -16.856 -4.326 6.749 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.277 -3.456 9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -17.510 -2.167 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.653 -1.653 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.814 -0.153 8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.587 -1.326 9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.434 -1.106 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.071 -2.640 8.006 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.315 -1.748 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.589 0.677 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.285 1.960 7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.935 -0.075 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.479 1.539 4.868 1.00 0.00 H new ATOM 237 N LEU A 73 -19.320 -5.128 7.725 1.00 0.00 N ATOM 238 CA LEU A 73 -20.664 -5.729 7.687 1.00 0.00 C ATOM 239 C LEU A 73 -20.675 -7.118 8.322 1.00 0.00 C ATOM 240 O LEU A 73 -21.660 -7.508 8.950 1.00 0.00 O ATOM 241 CB LEU A 73 -21.166 -5.840 6.245 1.00 0.00 C ATOM 242 CG LEU A 73 -20.929 -4.521 5.504 1.00 0.00 C ATOM 243 CD1 LEU A 73 -21.456 -4.642 4.073 1.00 0.00 C ATOM 244 CD2 LEU A 73 -21.659 -3.381 6.227 1.00 0.00 C ATOM 0 H LEU A 73 -18.641 -5.552 7.092 1.00 0.00 H new ATOM 0 HA LEU A 73 -21.323 -5.074 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -20.649 -6.652 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -22.228 -6.084 6.239 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.861 -4.305 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -21.289 -3.704 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -20.932 -5.448 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -22.524 -4.860 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -21.487 -2.445 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -22.728 -3.592 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -21.281 -3.295 7.246 1.00 0.00 H new ATOM 256 N VAL A 74 -19.589 -7.870 8.146 1.00 0.00 N ATOM 257 CA VAL A 74 -19.513 -9.226 8.702 1.00 0.00 C ATOM 258 C VAL A 74 -18.820 -9.237 10.061 1.00 0.00 C ATOM 259 O VAL A 74 -19.388 -9.701 11.050 1.00 0.00 O ATOM 260 CB VAL A 74 -18.750 -10.137 7.740 1.00 0.00 C ATOM 261 CG1 VAL A 74 -18.671 -11.550 8.326 1.00 0.00 C ATOM 262 CG2 VAL A 74 -19.484 -10.184 6.398 1.00 0.00 C ATOM 0 H VAL A 74 -18.760 -7.572 7.632 1.00 0.00 H new ATOM 0 HA VAL A 74 -20.532 -9.589 8.835 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.742 -9.749 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -18.127 -12.199 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -18.152 -11.518 9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.678 -11.940 8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -18.942 -10.833 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -20.491 -10.573 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.542 -9.179 5.980 1.00 0.00 H new ATOM 272 N LEU A 75 -17.591 -8.733 10.108 1.00 0.00 N ATOM 273 CA LEU A 75 -16.846 -8.706 11.360 1.00 0.00 C ATOM 274 C LEU A 75 -17.554 -7.829 12.384 1.00 0.00 C ATOM 275 O LEU A 75 -17.619 -8.168 13.562 1.00 0.00 O ATOM 276 CB LEU A 75 -15.421 -8.188 11.129 1.00 0.00 C ATOM 277 CG LEU A 75 -14.577 -9.267 10.443 1.00 0.00 C ATOM 278 CD1 LEU A 75 -15.198 -9.639 9.091 1.00 0.00 C ATOM 279 CD2 LEU A 75 -13.156 -8.734 10.229 1.00 0.00 C ATOM 0 H LEU A 75 -17.096 -8.343 9.306 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.792 -9.725 11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.447 -7.289 10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.967 -7.910 12.080 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.545 -10.156 11.073 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.591 -10.407 8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.208 -10.019 9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.237 -8.756 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.551 -9.498 9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.192 -7.844 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.713 -8.481 11.192 1.00 0.00 H new ATOM 291 N ARG A 76 -18.093 -6.707 11.929 1.00 0.00 N ATOM 292 CA ARG A 76 -18.800 -5.796 12.822 1.00 0.00 C ATOM 293 C ARG A 76 -19.998 -6.502 13.452 1.00 0.00 C ATOM 294 O ARG A 76 -20.296 -6.314 14.631 1.00 0.00 O ATOM 295 CB ARG A 76 -19.273 -4.561 12.049 1.00 0.00 C ATOM 296 CG ARG A 76 -19.933 -3.569 13.013 1.00 0.00 C ATOM 297 CD ARG A 76 -20.397 -2.335 12.239 1.00 0.00 C ATOM 298 NE ARG A 76 -19.249 -1.629 11.680 1.00 0.00 N ATOM 299 CZ ARG A 76 -18.539 -0.778 12.415 1.00 0.00 C ATOM 300 NH1 ARG A 76 -18.863 -0.567 13.662 1.00 0.00 N ATOM 301 NH2 ARG A 76 -17.519 -0.156 11.892 1.00 0.00 N ATOM 0 H ARG A 76 -18.056 -6.406 10.955 1.00 0.00 H new ATOM 0 HA ARG A 76 -18.118 -5.481 13.611 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -18.428 -4.088 11.548 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -19.980 -4.855 11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -20.781 -4.039 13.511 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -19.228 -3.279 13.792 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -21.075 -2.632 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -20.955 -1.671 12.899 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.986 -1.791 10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.660 -1.055 14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.319 0.085 14.227 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.265 -0.322 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.975 0.496 12.457 1.00 0.00 H new ATOM 315 N CYS A 77 -20.679 -7.310 12.650 1.00 0.00 N ATOM 316 CA CYS A 77 -21.850 -8.042 13.120 1.00 0.00 C ATOM 317 C CYS A 77 -21.484 -8.964 14.274 1.00 0.00 C ATOM 318 O CYS A 77 -22.150 -8.975 15.311 1.00 0.00 O ATOM 319 CB CYS A 77 -22.412 -8.881 11.978 1.00 0.00 C ATOM 320 SG CYS A 77 -23.887 -9.765 12.544 1.00 0.00 S ATOM 0 H CYS A 77 -20.442 -7.476 11.672 1.00 0.00 H new ATOM 0 HA CYS A 77 -22.592 -7.322 13.464 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -22.661 -8.241 11.132 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -21.661 -9.591 11.631 1.00 0.00 H new ATOM 0 HG CYS A 77 -24.366 -10.478 11.569 1.00 0.00 H new ATOM 326 N SER A 78 -20.417 -9.734 14.089 1.00 0.00 N ATOM 327 CA SER A 78 -19.958 -10.659 15.118 1.00 0.00 C ATOM 328 C SER A 78 -19.022 -9.939 16.075 1.00 0.00 C ATOM 329 O SER A 78 -17.975 -10.466 16.449 1.00 0.00 O ATOM 330 CB SER A 78 -19.228 -11.838 14.474 1.00 0.00 C ATOM 331 OG SER A 78 -18.117 -11.352 13.732 1.00 0.00 O ATOM 0 H SER A 78 -19.855 -9.736 13.238 1.00 0.00 H new ATOM 0 HA SER A 78 -20.821 -11.033 15.669 1.00 0.00 H new ATOM 0 HB2 SER A 78 -18.891 -12.535 15.241 1.00 0.00 H new ATOM 0 HB3 SER A 78 -19.905 -12.387 13.820 1.00 0.00 H new ATOM 0 HG SER A 78 -17.645 -12.105 13.318 1.00 0.00 H new ATOM 337 N ILE A 79 -19.403 -8.718 16.457 1.00 0.00 N ATOM 338 CA ILE A 79 -18.597 -7.905 17.357 1.00 0.00 C ATOM 339 C ILE A 79 -17.113 -8.073 17.049 1.00 0.00 C ATOM 340 O ILE A 79 -16.257 -7.877 17.912 1.00 0.00 O ATOM 341 CB ILE A 79 -18.885 -8.268 18.818 1.00 0.00 C ATOM 342 CG1 ILE A 79 -18.567 -9.745 19.089 1.00 0.00 C ATOM 343 CG2 ILE A 79 -20.364 -8.014 19.119 1.00 0.00 C ATOM 344 CD1 ILE A 79 -18.615 -10.005 20.595 1.00 0.00 C ATOM 0 H ILE A 79 -20.269 -8.273 16.153 1.00 0.00 H new ATOM 0 HA ILE A 79 -18.865 -6.860 17.203 1.00 0.00 H new ATOM 0 HB ILE A 79 -18.255 -7.651 19.458 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -19.285 -10.384 18.575 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -17.581 -9.994 18.697 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -20.573 -8.271 20.157 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -20.594 -6.962 18.952 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -20.980 -8.628 18.462 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -18.390 -11.053 20.791 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -17.880 -9.376 21.096 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -19.610 -9.771 20.973 1.00 0.00 H new ATOM 356 N ASP A 80 -16.822 -8.439 15.804 1.00 0.00 N ATOM 357 CA ASP A 80 -15.442 -8.634 15.376 1.00 0.00 C ATOM 358 C ASP A 80 -14.729 -9.617 16.298 1.00 0.00 C ATOM 359 O ASP A 80 -13.711 -9.244 16.856 1.00 0.00 O ATOM 360 CB ASP A 80 -14.700 -7.297 15.378 1.00 0.00 C ATOM 361 CG ASP A 80 -13.262 -7.498 14.911 1.00 0.00 C ATOM 362 OD1 ASP A 80 -12.879 -8.640 14.710 1.00 0.00 O ATOM 363 OD2 ASP A 80 -12.566 -6.508 14.759 1.00 0.00 O ATOM 364 OXT ASP A 80 -15.212 -10.730 16.432 1.00 0.00 O ATOM 0 H ASP A 80 -17.519 -8.605 15.078 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.449 -9.042 14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.208 -6.589 14.723 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.709 -6.868 16.380 1.00 0.00 H new TER 369 ASP A 80