USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 155 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 65 GLN : amide:sc= -13.6! C(o=-14!,f=-4.8!) USER MOD Single : A 66 GLN : amide:sc= -0.0834 X(o=-0.083,f=-0.44) USER MOD Single : A 71 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 3.977 2.580 -0.799 1.00 0.00 N ATOM 14 CA ILE A 60 3.551 2.958 -2.189 1.00 0.00 C ATOM 15 C ILE A 60 2.168 2.387 -2.510 1.00 0.00 C ATOM 16 O ILE A 60 1.276 3.084 -2.971 1.00 0.00 O ATOM 17 CB ILE A 60 4.686 2.441 -3.158 1.00 0.00 C ATOM 18 CG1 ILE A 60 4.458 2.944 -4.606 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.820 0.897 -3.167 1.00 0.00 C ATOM 20 CD1 ILE A 60 4.843 4.436 -4.705 1.00 0.00 C ATOM 0 HA ILE A 60 3.439 4.036 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 60 5.617 2.852 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.056 2.357 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.414 2.808 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.616 0.605 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.058 0.547 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.880 0.452 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.682 4.787 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.226 5.017 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.893 4.559 -4.441 1.00 0.00 H new ATOM 32 N ILE A 61 2.030 1.125 -2.226 1.00 0.00 N ATOM 33 CA ILE A 61 0.754 0.431 -2.481 1.00 0.00 C ATOM 34 C ILE A 61 -0.439 0.872 -1.615 1.00 0.00 C ATOM 35 O ILE A 61 -1.458 0.215 -1.541 1.00 0.00 O ATOM 36 CB ILE A 61 1.020 -1.079 -2.320 1.00 0.00 C ATOM 37 CG1 ILE A 61 1.882 -1.400 -1.074 1.00 0.00 C ATOM 38 CG2 ILE A 61 1.679 -1.676 -3.591 1.00 0.00 C ATOM 39 CD1 ILE A 61 1.309 -0.728 0.195 1.00 0.00 C ATOM 0 H ILE A 61 2.762 0.541 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 61 0.439 0.698 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 61 0.045 -1.546 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.926 -2.479 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.904 -1.059 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.853 -2.742 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.019 -1.531 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.629 -1.176 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.937 -0.973 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.289 0.353 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.296 -1.090 0.372 1.00 0.00 H new ATOM 51 N ARG A 62 -0.282 1.996 -0.976 1.00 0.00 N ATOM 52 CA ARG A 62 -1.351 2.557 -0.110 1.00 0.00 C ATOM 53 C ARG A 62 -1.415 4.024 -0.430 1.00 0.00 C ATOM 54 O ARG A 62 -2.484 4.575 -0.603 1.00 0.00 O ATOM 55 CB ARG A 62 -0.995 2.342 1.380 1.00 0.00 C ATOM 56 CG ARG A 62 -2.193 2.715 2.294 1.00 0.00 C ATOM 57 CD ARG A 62 -3.348 1.694 2.137 1.00 0.00 C ATOM 58 NE ARG A 62 -2.859 0.340 2.538 1.00 0.00 N ATOM 59 CZ ARG A 62 -3.032 -0.083 3.761 1.00 0.00 C ATOM 60 NH1 ARG A 62 -2.337 0.465 4.718 1.00 0.00 N ATOM 61 NH2 ARG A 62 -3.894 -1.037 3.979 1.00 0.00 N ATOM 0 H ARG A 62 0.565 2.563 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.310 2.071 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.716 1.301 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.129 2.949 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.867 2.744 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.549 3.714 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.196 1.987 2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.698 1.677 1.105 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.389 -0.255 1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.673 1.209 4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.457 0.149 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.418 -1.438 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.044 -1.382 4.927 1.00 0.00 H new ATOM 75 N ILE A 63 -0.279 4.640 -0.521 1.00 0.00 N ATOM 76 CA ILE A 63 -0.282 6.066 -0.833 1.00 0.00 C ATOM 77 C ILE A 63 -0.974 6.346 -2.177 1.00 0.00 C ATOM 78 O ILE A 63 -1.894 7.142 -2.255 1.00 0.00 O ATOM 79 CB ILE A 63 1.177 6.464 -0.787 1.00 0.00 C ATOM 80 CG1 ILE A 63 1.587 6.365 0.729 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.345 7.837 -1.394 1.00 0.00 C ATOM 82 CD1 ILE A 63 2.586 7.432 1.126 1.00 0.00 C ATOM 0 H ILE A 63 0.639 4.214 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.860 6.662 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 63 1.832 5.820 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.696 6.455 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.013 5.381 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.396 8.123 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.006 7.821 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.754 8.559 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.837 7.321 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.489 7.326 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.152 8.418 0.958 1.00 0.00 H new ATOM 94 N LEU A 64 -0.528 5.675 -3.209 1.00 0.00 N ATOM 95 CA LEU A 64 -1.172 5.931 -4.527 1.00 0.00 C ATOM 96 C LEU A 64 -2.655 5.612 -4.501 1.00 0.00 C ATOM 97 O LEU A 64 -3.447 6.248 -5.165 1.00 0.00 O ATOM 98 CB LEU A 64 -0.477 5.079 -5.626 1.00 0.00 C ATOM 99 CG LEU A 64 0.923 5.644 -6.034 1.00 0.00 C ATOM 100 CD1 LEU A 64 0.777 7.050 -6.655 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.892 5.748 -4.841 1.00 0.00 C ATOM 0 H LEU A 64 0.225 4.987 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.060 6.992 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.361 4.056 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.118 5.037 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 64 1.335 4.940 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.760 7.429 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.146 6.992 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.321 7.723 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.848 6.146 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.471 6.413 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.044 4.759 -4.409 1.00 0.00 H new ATOM 113 N GLN A 65 -2.992 4.646 -3.700 1.00 0.00 N ATOM 114 CA GLN A 65 -4.406 4.215 -3.584 1.00 0.00 C ATOM 115 C GLN A 65 -5.286 5.375 -3.155 1.00 0.00 C ATOM 116 O GLN A 65 -6.470 5.358 -3.412 1.00 0.00 O ATOM 117 CB GLN A 65 -4.429 3.037 -2.581 1.00 0.00 C ATOM 118 CG GLN A 65 -3.798 1.749 -3.231 1.00 0.00 C ATOM 119 CD GLN A 65 -2.499 2.056 -3.989 1.00 0.00 C ATOM 120 OE1 GLN A 65 -2.401 1.865 -5.181 1.00 0.00 O ATOM 121 NE2 GLN A 65 -1.472 2.544 -3.359 1.00 0.00 N ATOM 0 H GLN A 65 -2.337 4.130 -3.112 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.809 3.885 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.875 3.306 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.455 2.832 -2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.597 1.013 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.518 1.300 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.524 2.716 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.614 2.755 -3.869 1.00 0.00 H new ATOM 130 N GLN A 66 -4.701 6.356 -2.526 1.00 0.00 N ATOM 131 CA GLN A 66 -5.502 7.514 -2.089 1.00 0.00 C ATOM 132 C GLN A 66 -5.852 8.382 -3.288 1.00 0.00 C ATOM 133 O GLN A 66 -6.858 9.062 -3.294 1.00 0.00 O ATOM 134 CB GLN A 66 -4.690 8.311 -1.095 1.00 0.00 C ATOM 135 CG GLN A 66 -4.551 7.585 0.253 1.00 0.00 C ATOM 136 CD GLN A 66 -4.195 8.654 1.290 1.00 0.00 C ATOM 137 OE1 GLN A 66 -4.904 9.627 1.436 1.00 0.00 O ATOM 138 NE2 GLN A 66 -3.136 8.551 2.035 1.00 0.00 N ATOM 0 H GLN A 66 -3.707 6.399 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.428 7.174 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.699 8.502 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.162 9.281 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.480 7.081 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.776 6.820 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.519 7.744 1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.921 9.277 2.719 1.00 0.00 H new ATOM 147 N LEU A 67 -5.009 8.338 -4.280 1.00 0.00 N ATOM 148 CA LEU A 67 -5.262 9.148 -5.495 1.00 0.00 C ATOM 149 C LEU A 67 -6.160 8.323 -6.388 1.00 0.00 C ATOM 150 O LEU A 67 -7.144 8.795 -6.926 1.00 0.00 O ATOM 151 CB LEU A 67 -3.946 9.455 -6.215 1.00 0.00 C ATOM 152 CG LEU A 67 -3.105 10.412 -5.331 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.164 9.634 -4.389 1.00 0.00 C ATOM 154 CD2 LEU A 67 -2.308 11.361 -6.232 1.00 0.00 C ATOM 0 H LEU A 67 -4.158 7.776 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.727 10.100 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.395 8.534 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.144 9.912 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.782 10.990 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.591 10.337 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.754 8.991 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.482 9.023 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.715 12.036 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.646 10.782 -6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.995 11.941 -6.847 1.00 0.00 H new ATOM 166 N LEU A 68 -5.793 7.079 -6.512 1.00 0.00 N ATOM 167 CA LEU A 68 -6.606 6.172 -7.367 1.00 0.00 C ATOM 168 C LEU A 68 -7.971 6.130 -6.741 1.00 0.00 C ATOM 169 O LEU A 68 -8.943 6.108 -7.460 1.00 0.00 O ATOM 170 CB LEU A 68 -5.985 4.758 -7.382 1.00 0.00 C ATOM 171 CG LEU A 68 -4.498 4.824 -7.786 1.00 0.00 C ATOM 172 CD1 LEU A 68 -3.871 3.414 -7.751 1.00 0.00 C ATOM 173 CD2 LEU A 68 -4.321 5.420 -9.199 1.00 0.00 C ATOM 0 H LEU A 68 -4.979 6.656 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.648 6.523 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.080 4.302 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.530 4.123 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.994 5.472 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.821 3.475 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.948 3.006 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.400 2.763 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.261 5.451 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.848 4.800 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.729 6.430 -9.221 1.00 0.00 H new ATOM 185 N PHE A 69 -8.010 6.134 -5.434 1.00 0.00 N ATOM 186 CA PHE A 69 -9.330 6.096 -4.720 1.00 0.00 C ATOM 187 C PHE A 69 -10.329 6.983 -5.428 1.00 0.00 C ATOM 188 O PHE A 69 -11.468 6.618 -5.631 1.00 0.00 O ATOM 189 CB PHE A 69 -9.153 6.578 -3.256 1.00 0.00 C ATOM 190 CG PHE A 69 -10.506 6.766 -2.534 1.00 0.00 C ATOM 191 CD1 PHE A 69 -11.217 5.681 -2.057 1.00 0.00 C ATOM 192 CD2 PHE A 69 -11.021 8.038 -2.343 1.00 0.00 C ATOM 193 CE1 PHE A 69 -12.417 5.862 -1.399 1.00 0.00 C ATOM 194 CE2 PHE A 69 -12.221 8.218 -1.686 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.916 7.132 -1.215 1.00 0.00 C ATOM 0 H PHE A 69 -7.190 6.162 -4.828 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.700 5.071 -4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.549 5.855 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.606 7.521 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.830 4.683 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.479 8.896 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.964 5.008 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.614 9.214 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.855 7.274 -0.700 1.00 0.00 H new ATOM 205 N ILE A 70 -9.866 8.132 -5.810 1.00 0.00 N ATOM 206 CA ILE A 70 -10.786 9.059 -6.506 1.00 0.00 C ATOM 207 C ILE A 70 -11.233 8.527 -7.870 1.00 0.00 C ATOM 208 O ILE A 70 -12.411 8.372 -8.138 1.00 0.00 O ATOM 209 CB ILE A 70 -10.073 10.408 -6.615 1.00 0.00 C ATOM 210 CG1 ILE A 70 -9.727 10.763 -5.128 1.00 0.00 C ATOM 211 CG2 ILE A 70 -11.055 11.442 -7.225 1.00 0.00 C ATOM 212 CD1 ILE A 70 -9.675 12.249 -4.888 1.00 0.00 C ATOM 0 H ILE A 70 -8.911 8.465 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.709 9.166 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.186 10.397 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.472 10.317 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.765 10.322 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.559 12.409 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.367 11.108 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.930 11.537 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.432 12.440 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.911 12.694 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.644 12.689 -5.121 1.00 0.00 H new ATOM 224 N HIS A 71 -10.266 8.231 -8.688 1.00 0.00 N ATOM 225 CA HIS A 71 -10.596 7.715 -10.058 1.00 0.00 C ATOM 226 C HIS A 71 -11.055 6.266 -10.061 1.00 0.00 C ATOM 227 O HIS A 71 -11.493 5.738 -11.065 1.00 0.00 O ATOM 228 CB HIS A 71 -9.352 7.875 -10.957 1.00 0.00 C ATOM 229 CG HIS A 71 -9.086 9.365 -11.229 1.00 0.00 C ATOM 230 ND1 HIS A 71 -8.172 9.750 -12.064 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.713 10.464 -10.685 1.00 0.00 C ATOM 232 CE1 HIS A 71 -8.278 11.051 -11.994 1.00 0.00 C ATOM 233 NE2 HIS A 71 -9.182 11.545 -11.187 1.00 0.00 N ATOM 0 H HIS A 71 -9.272 8.320 -8.479 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.434 8.300 -10.438 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.484 7.425 -10.475 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.503 7.347 -11.898 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.514 10.436 -9.961 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.642 11.696 -12.582 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.412 12.521 -10.999 1.00 0.00 H new ATOM 241 N PHE A 72 -10.941 5.660 -8.920 1.00 0.00 N ATOM 242 CA PHE A 72 -11.342 4.255 -8.759 1.00 0.00 C ATOM 243 C PHE A 72 -12.676 4.251 -8.053 1.00 0.00 C ATOM 244 O PHE A 72 -13.397 3.288 -8.195 1.00 0.00 O ATOM 245 CB PHE A 72 -10.282 3.484 -7.925 1.00 0.00 C ATOM 246 CG PHE A 72 -9.016 3.135 -8.752 1.00 0.00 C ATOM 247 CD1 PHE A 72 -8.540 3.923 -9.790 1.00 0.00 C ATOM 248 CD2 PHE A 72 -8.324 1.977 -8.451 1.00 0.00 C ATOM 249 CE1 PHE A 72 -7.414 3.562 -10.500 1.00 0.00 C ATOM 250 CE2 PHE A 72 -7.198 1.615 -9.161 1.00 0.00 C ATOM 251 CZ PHE A 72 -6.740 2.407 -10.188 1.00 0.00 C ATOM 0 H PHE A 72 -10.576 6.097 -8.074 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.419 3.761 -9.727 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -9.995 4.086 -7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.725 2.566 -7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.060 4.834 -10.046 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.671 1.345 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.061 4.190 -11.304 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.673 0.705 -8.909 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.859 2.123 -10.744 1.00 0.00 H new ATOM 261 N ARG A 73 -13.015 5.276 -7.309 1.00 0.00 N ATOM 262 CA ARG A 73 -14.339 5.221 -6.642 1.00 0.00 C ATOM 263 C ARG A 73 -15.381 5.823 -7.583 1.00 0.00 C ATOM 264 O ARG A 73 -16.361 5.176 -7.901 1.00 0.00 O ATOM 265 CB ARG A 73 -14.280 6.008 -5.302 1.00 0.00 C ATOM 266 CG ARG A 73 -15.564 5.740 -4.456 1.00 0.00 C ATOM 267 CD ARG A 73 -16.755 6.663 -4.832 1.00 0.00 C ATOM 268 NE ARG A 73 -16.389 8.075 -4.515 1.00 0.00 N ATOM 269 CZ ARG A 73 -16.492 8.524 -3.293 1.00 0.00 C ATOM 270 NH1 ARG A 73 -15.595 8.168 -2.420 1.00 0.00 N ATOM 271 NH2 ARG A 73 -17.486 9.312 -2.992 1.00 0.00 N ATOM 0 H ARG A 73 -12.455 6.112 -7.143 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.612 4.190 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.396 5.711 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.186 7.075 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.865 4.700 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.329 5.875 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.990 6.563 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.648 6.371 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.057 8.692 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.832 7.550 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.655 8.507 -1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.168 9.568 -3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.582 9.672 -2.042 1.00 0.00 H new ATOM 285 N ILE A 74 -15.148 7.034 -8.022 1.00 0.00 N ATOM 286 CA ILE A 74 -16.117 7.715 -8.945 1.00 0.00 C ATOM 287 C ILE A 74 -16.598 6.804 -10.089 1.00 0.00 C ATOM 288 O ILE A 74 -17.765 6.800 -10.431 1.00 0.00 O ATOM 289 CB ILE A 74 -15.431 8.991 -9.529 1.00 0.00 C ATOM 290 CG1 ILE A 74 -15.078 9.959 -8.356 1.00 0.00 C ATOM 291 CG2 ILE A 74 -16.403 9.708 -10.509 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.349 11.211 -8.884 1.00 0.00 C ATOM 0 H ILE A 74 -14.325 7.586 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 74 -17.004 7.977 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.525 8.706 -10.064 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.989 10.255 -7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.448 9.444 -7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.921 10.598 -10.914 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.662 9.032 -11.324 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.309 9.997 -9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.112 11.873 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.427 10.912 -9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.992 11.735 -9.592 1.00 0.00 H new