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= -14.4! C(o=-14!,f=-7.4!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 4.304 2.619 -1.560 1.00 0.00 N ATOM 14 CA ILE A 60 3.816 3.073 -2.907 1.00 0.00 C ATOM 15 C ILE A 60 2.370 2.634 -3.106 1.00 0.00 C ATOM 16 O ILE A 60 1.485 3.417 -3.421 1.00 0.00 O ATOM 17 CB ILE A 60 4.766 2.461 -4.004 1.00 0.00 C ATOM 18 CG1 ILE A 60 6.203 3.091 -3.993 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.190 2.683 -5.420 1.00 0.00 C ATOM 20 CD1 ILE A 60 7.015 2.800 -2.709 1.00 0.00 C ATOM 0 HA ILE A 60 3.839 4.160 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 60 4.834 1.400 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.758 2.716 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.115 4.170 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.865 2.251 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.214 2.203 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.084 3.752 -5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.995 3.271 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.485 3.200 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.138 1.723 -2.593 1.00 0.00 H new ATOM 32 N ILE A 61 2.181 1.367 -2.883 1.00 0.00 N ATOM 33 CA ILE A 61 0.844 0.781 -3.034 1.00 0.00 C ATOM 34 C ILE A 61 -0.215 1.253 -2.028 1.00 0.00 C ATOM 35 O ILE A 61 -1.267 0.664 -1.888 1.00 0.00 O ATOM 36 CB ILE A 61 1.020 -0.745 -2.982 1.00 0.00 C ATOM 37 CG1 ILE A 61 1.953 -1.217 -1.839 1.00 0.00 C ATOM 38 CG2 ILE A 61 1.568 -1.232 -4.337 1.00 0.00 C ATOM 39 CD1 ILE A 61 1.541 -0.590 -0.490 1.00 0.00 C ATOM 0 H ILE A 61 2.910 0.713 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 61 0.440 1.125 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 61 0.040 -1.177 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.920 -2.304 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.983 -0.945 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.696 -2.314 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.866 -0.970 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.530 -0.757 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.213 -0.939 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.599 0.496 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.519 -0.884 -0.249 1.00 0.00 H new ATOM 51 N ARG A 62 0.085 2.327 -1.353 1.00 0.00 N ATOM 52 CA ARG A 62 -0.857 2.899 -0.354 1.00 0.00 C ATOM 53 C ARG A 62 -0.931 4.380 -0.600 1.00 0.00 C ATOM 54 O ARG A 62 -1.994 4.966 -0.539 1.00 0.00 O ATOM 55 CB ARG A 62 -0.330 2.614 1.060 1.00 0.00 C ATOM 56 CG ARG A 62 -1.329 3.010 2.176 1.00 0.00 C ATOM 57 CD ARG A 62 -2.516 2.028 2.267 1.00 0.00 C ATOM 58 NE ARG A 62 -3.458 2.222 1.120 1.00 0.00 N ATOM 59 CZ ARG A 62 -4.365 1.309 0.875 1.00 0.00 C ATOM 60 NH1 ARG A 62 -4.928 0.692 1.880 1.00 0.00 N ATOM 61 NH2 ARG A 62 -4.687 1.036 -0.357 1.00 0.00 N ATOM 0 H ARG A 62 0.960 2.841 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.848 2.455 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.100 1.552 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.604 3.156 1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.809 3.040 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.704 4.015 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.146 1.003 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.046 2.178 3.208 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.394 3.056 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.659 0.924 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.636 -0.022 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.234 1.532 -1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.392 0.326 -0.554 1.00 0.00 H new ATOM 75 N ILE A 63 0.197 4.953 -0.879 1.00 0.00 N ATOM 76 CA ILE A 63 0.224 6.391 -1.137 1.00 0.00 C ATOM 77 C ILE A 63 -0.559 6.713 -2.417 1.00 0.00 C ATOM 78 O ILE A 63 -1.486 7.504 -2.411 1.00 0.00 O ATOM 79 CB ILE A 63 1.697 6.734 -1.193 1.00 0.00 C ATOM 80 CG1 ILE A 63 2.205 6.561 0.279 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.893 8.126 -1.757 1.00 0.00 C ATOM 82 CD1 ILE A 63 3.354 7.480 0.597 1.00 0.00 C ATOM 0 H ILE A 63 1.098 4.479 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.266 6.994 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 63 2.271 6.091 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.385 6.756 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.515 5.528 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.957 8.358 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.479 8.172 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.384 8.851 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.671 7.323 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.186 7.268 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.038 8.515 0.468 1.00 0.00 H new ATOM 94 N LEU A 64 -0.173 6.065 -3.486 1.00 0.00 N ATOM 95 CA LEU A 64 -0.874 6.323 -4.784 1.00 0.00 C ATOM 96 C LEU A 64 -2.362 5.996 -4.675 1.00 0.00 C ATOM 97 O LEU A 64 -3.215 6.590 -5.314 1.00 0.00 O ATOM 98 CB LEU A 64 -0.259 5.450 -5.903 1.00 0.00 C ATOM 99 CG LEU A 64 1.288 5.594 -5.986 1.00 0.00 C ATOM 100 CD1 LEU A 64 1.792 4.689 -7.123 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.699 7.053 -6.290 1.00 0.00 C ATOM 0 H LEU A 64 0.582 5.381 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.753 7.380 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.515 4.405 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.699 5.729 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 64 1.723 5.309 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.876 4.773 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.522 3.654 -6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.335 4.998 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.786 7.122 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.270 7.361 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.331 7.707 -5.499 1.00 0.00 H new ATOM 113 N GLN A 65 -2.619 5.044 -3.823 1.00 0.00 N ATOM 114 CA GLN A 65 -4.006 4.583 -3.599 1.00 0.00 C ATOM 115 C GLN A 65 -4.893 5.678 -3.068 1.00 0.00 C ATOM 116 O GLN A 65 -6.095 5.556 -3.149 1.00 0.00 O ATOM 117 CB GLN A 65 -3.926 3.378 -2.651 1.00 0.00 C ATOM 118 CG GLN A 65 -3.445 2.125 -3.469 1.00 0.00 C ATOM 119 CD GLN A 65 -2.183 2.425 -4.298 1.00 0.00 C ATOM 120 OE1 GLN A 65 -2.130 2.185 -5.482 1.00 0.00 O ATOM 121 NE2 GLN A 65 -1.141 2.955 -3.734 1.00 0.00 N ATOM 0 H GLN A 65 -1.913 4.562 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.468 4.290 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.234 3.585 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.900 3.185 -2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.241 1.302 -2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.245 1.797 -4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.154 3.169 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.309 3.157 -4.288 1.00 0.00 H new ATOM 130 N GLN A 66 -4.324 6.726 -2.540 1.00 0.00 N ATOM 131 CA GLN A 66 -5.187 7.808 -2.030 1.00 0.00 C ATOM 132 C GLN A 66 -5.819 8.476 -3.245 1.00 0.00 C ATOM 133 O GLN A 66 -6.912 8.999 -3.183 1.00 0.00 O ATOM 134 CB GLN A 66 -4.336 8.821 -1.271 1.00 0.00 C ATOM 135 CG GLN A 66 -3.853 8.333 0.109 1.00 0.00 C ATOM 136 CD GLN A 66 -3.257 9.546 0.857 1.00 0.00 C ATOM 137 OE1 GLN A 66 -3.964 10.437 1.277 1.00 0.00 O ATOM 138 NE2 GLN A 66 -1.974 9.638 1.053 1.00 0.00 N ATOM 0 H GLN A 66 -3.319 6.872 -2.444 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.950 7.422 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.467 9.076 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.913 9.736 -1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.681 7.905 0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.105 7.548 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.352 8.905 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.590 10.443 1.548 1.00 0.00 H new ATOM 147 N LEU A 67 -5.098 8.424 -4.330 1.00 0.00 N ATOM 148 CA LEU A 67 -5.603 9.037 -5.577 1.00 0.00 C ATOM 149 C LEU A 67 -6.491 8.007 -6.239 1.00 0.00 C ATOM 150 O LEU A 67 -7.614 8.286 -6.613 1.00 0.00 O ATOM 151 CB LEU A 67 -4.448 9.397 -6.521 1.00 0.00 C ATOM 152 CG LEU A 67 -3.587 10.510 -5.881 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.487 9.911 -4.977 1.00 0.00 C ATOM 154 CD2 LEU A 67 -2.973 11.369 -6.993 1.00 0.00 C ATOM 0 H LEU A 67 -4.181 7.982 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.144 9.956 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.836 8.516 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.840 9.732 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.220 11.134 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.897 10.716 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.948 9.326 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.839 9.267 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.364 12.157 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.349 10.745 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.769 11.817 -7.588 1.00 0.00 H new ATOM 166 N LEU A 68 -5.966 6.815 -6.353 1.00 0.00 N ATOM 167 CA LEU A 68 -6.804 5.758 -7.006 1.00 0.00 C ATOM 168 C LEU A 68 -8.091 5.597 -6.219 1.00 0.00 C ATOM 169 O LEU A 68 -9.118 5.267 -6.784 1.00 0.00 O ATOM 170 CB LEU A 68 -6.077 4.404 -7.033 1.00 0.00 C ATOM 171 CG LEU A 68 -4.614 4.553 -7.484 1.00 0.00 C ATOM 172 CD1 LEU A 68 -4.004 3.152 -7.668 1.00 0.00 C ATOM 173 CD2 LEU A 68 -4.495 5.325 -8.818 1.00 0.00 C ATOM 0 H LEU A 68 -5.037 6.532 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.005 6.066 -8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.108 3.954 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.598 3.724 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.083 5.118 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.966 3.246 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.045 2.610 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.568 2.606 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.445 5.407 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.038 4.791 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.918 6.323 -8.700 1.00 0.00 H new ATOM 185 N PHE A 69 -7.991 5.847 -4.937 1.00 0.00 N ATOM 186 CA PHE A 69 -9.203 5.724 -4.065 1.00 0.00 C ATOM 187 C PHE A 69 -10.361 6.444 -4.742 1.00 0.00 C ATOM 188 O PHE A 69 -11.453 5.928 -4.892 1.00 0.00 O ATOM 189 CB PHE A 69 -8.912 6.368 -2.686 1.00 0.00 C ATOM 190 CG PHE A 69 -10.182 6.390 -1.819 1.00 0.00 C ATOM 191 CD1 PHE A 69 -10.586 5.258 -1.137 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.933 7.548 -1.709 1.00 0.00 C ATOM 193 CE1 PHE A 69 -11.726 5.285 -0.357 1.00 0.00 C ATOM 194 CE2 PHE A 69 -12.071 7.575 -0.930 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.466 6.442 -0.253 1.00 0.00 C ATOM 0 H PHE A 69 -7.134 6.128 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.458 4.675 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.127 5.809 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.542 7.384 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.008 4.349 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.625 8.438 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.038 4.397 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.651 8.482 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.356 6.461 0.359 1.00 0.00 H new ATOM 205 N ILE A 70 -10.045 7.636 -5.153 1.00 0.00 N ATOM 206 CA ILE A 70 -11.050 8.493 -5.833 1.00 0.00 C ATOM 207 C ILE A 70 -11.588 7.878 -7.115 1.00 0.00 C ATOM 208 O ILE A 70 -12.781 7.782 -7.323 1.00 0.00 O ATOM 209 CB ILE A 70 -10.390 9.851 -6.093 1.00 0.00 C ATOM 210 CG1 ILE A 70 -10.049 10.389 -4.665 1.00 0.00 C ATOM 211 CG2 ILE A 70 -11.359 10.784 -6.873 1.00 0.00 C ATOM 212 CD1 ILE A 70 -10.029 11.891 -4.619 1.00 0.00 C ATOM 0 H ILE A 70 -9.123 8.058 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.923 8.603 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.497 9.789 -6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.783 10.014 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.078 10.004 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.875 11.745 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.615 10.326 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.266 10.937 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.788 12.221 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.276 12.266 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.008 12.277 -4.903 1.00 0.00 H new ATOM 224 N HIS A 71 -10.673 7.464 -7.938 1.00 0.00 N ATOM 225 CA HIS A 71 -11.065 6.848 -9.249 1.00 0.00 C ATOM 226 C HIS A 71 -11.834 5.542 -9.100 1.00 0.00 C ATOM 227 O HIS A 71 -12.630 5.182 -9.950 1.00 0.00 O ATOM 228 CB HIS A 71 -9.805 6.576 -10.086 1.00 0.00 C ATOM 229 CG HIS A 71 -9.024 7.871 -10.342 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.874 7.862 -10.944 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.371 9.161 -10.008 1.00 0.00 C ATOM 232 CE1 HIS A 71 -7.572 9.134 -10.949 1.00 0.00 C ATOM 233 NE2 HIS A 71 -8.423 9.965 -10.406 1.00 0.00 N ATOM 0 H HIS A 71 -9.669 7.521 -7.768 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.726 7.564 -9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.168 5.859 -9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.087 6.123 -11.037 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.277 9.458 -9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.650 9.487 -11.387 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.362 10.979 -10.317 1.00 0.00 H new ATOM 241 N PHE A 72 -11.592 4.867 -8.013 1.00 0.00 N ATOM 242 CA PHE A 72 -12.279 3.585 -7.782 1.00 0.00 C ATOM 243 C PHE A 72 -13.621 3.932 -7.182 1.00 0.00 C ATOM 244 O PHE A 72 -14.612 3.299 -7.489 1.00 0.00 O ATOM 245 CB PHE A 72 -11.437 2.716 -6.810 1.00 0.00 C ATOM 246 CG PHE A 72 -10.041 2.316 -7.367 1.00 0.00 C ATOM 247 CD1 PHE A 72 -9.615 2.622 -8.654 1.00 0.00 C ATOM 248 CD2 PHE A 72 -9.175 1.614 -6.546 1.00 0.00 C ATOM 249 CE1 PHE A 72 -8.364 2.235 -9.097 1.00 0.00 C ATOM 250 CE2 PHE A 72 -7.924 1.227 -6.989 1.00 0.00 C ATOM 251 CZ PHE A 72 -7.517 1.537 -8.266 1.00 0.00 C ATOM 0 H PHE A 72 -10.946 5.155 -7.278 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.407 3.012 -8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.302 3.261 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.995 1.810 -6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.270 3.169 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.482 1.364 -5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.049 2.482 -10.100 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.265 0.680 -6.331 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.540 1.235 -8.614 1.00 0.00 H new ATOM 261 N ARG A 73 -13.634 4.941 -6.343 1.00 0.00 N ATOM 262 CA ARG A 73 -14.938 5.293 -5.735 1.00 0.00 C ATOM 263 C ARG A 73 -15.884 5.862 -6.809 1.00 0.00 C ATOM 264 O ARG A 73 -17.036 5.486 -6.905 1.00 0.00 O ATOM 265 CB ARG A 73 -14.702 6.318 -4.595 1.00 0.00 C ATOM 266 CG ARG A 73 -15.928 6.281 -3.643 1.00 0.00 C ATOM 267 CD ARG A 73 -15.662 7.145 -2.394 1.00 0.00 C ATOM 268 NE ARG A 73 -16.727 6.851 -1.384 1.00 0.00 N ATOM 269 CZ ARG A 73 -16.480 7.034 -0.115 1.00 0.00 C ATOM 270 NH1 ARG A 73 -15.958 6.057 0.569 1.00 0.00 N ATOM 271 NH2 ARG A 73 -16.763 8.185 0.424 1.00 0.00 N ATOM 0 H ARG A 73 -12.833 5.509 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.408 4.403 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.790 6.075 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.571 7.319 -5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.813 6.646 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.135 5.253 -3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.677 6.924 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.669 8.203 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.640 6.510 -1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.750 5.169 0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.757 6.180 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.171 8.927 -0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.576 8.344 1.414 1.00 0.00 H new ATOM 285 N ILE A 74 -15.361 6.764 -7.597 1.00 0.00 N ATOM 286 CA ILE A 74 -16.178 7.388 -8.683 1.00 0.00 C ATOM 287 C ILE A 74 -16.430 6.347 -9.777 1.00 0.00 C ATOM 288 O ILE A 74 -17.517 6.260 -10.315 1.00 0.00 O ATOM 289 CB ILE A 74 -15.409 8.622 -9.263 1.00 0.00 C ATOM 290 CG1 ILE A 74 -15.302 9.697 -8.140 1.00 0.00 C ATOM 291 CG2 ILE A 74 -16.158 9.203 -10.500 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.612 10.986 -8.646 1.00 0.00 C ATOM 0 H ILE A 74 -14.399 7.098 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 74 -17.136 7.727 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.414 8.320 -9.591 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -16.299 9.939 -7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.741 9.290 -7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.608 10.060 -10.889 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.232 8.438 -11.273 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.159 9.518 -10.204 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.556 11.711 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.605 10.749 -8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.188 11.407 -9.470 1.00 0.00 H new