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= -11.2! C(o=-11!,f=-3.2!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 4.554 3.942 -0.726 1.00 0.00 N ATOM 14 CA ILE A 60 4.033 4.035 -2.134 1.00 0.00 C ATOM 15 C ILE A 60 2.747 3.249 -2.295 1.00 0.00 C ATOM 16 O ILE A 60 1.788 3.742 -2.867 1.00 0.00 O ATOM 17 CB ILE A 60 5.118 3.497 -3.110 1.00 0.00 C ATOM 18 CG1 ILE A 60 6.471 4.247 -2.905 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.650 3.660 -4.582 1.00 0.00 C ATOM 20 CD1 ILE A 60 6.328 5.784 -3.055 1.00 0.00 C ATOM 0 HA ILE A 60 3.813 5.078 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 60 5.268 2.439 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.863 4.017 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.199 3.881 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.420 3.279 -5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.727 3.101 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.474 4.715 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.298 6.256 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.963 6.020 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.622 6.158 -2.313 1.00 0.00 H new ATOM 32 N ILE A 61 2.747 2.059 -1.763 1.00 0.00 N ATOM 33 CA ILE A 61 1.543 1.205 -1.869 1.00 0.00 C ATOM 34 C ILE A 61 0.322 1.685 -1.068 1.00 0.00 C ATOM 35 O ILE A 61 -0.604 0.946 -0.815 1.00 0.00 O ATOM 36 CB ILE A 61 1.915 -0.251 -1.446 1.00 0.00 C ATOM 37 CG1 ILE A 61 3.111 -0.328 -0.458 1.00 0.00 C ATOM 38 CG2 ILE A 61 2.140 -1.127 -2.708 1.00 0.00 C ATOM 39 CD1 ILE A 61 4.488 -0.345 -1.178 1.00 0.00 C ATOM 0 H ILE A 61 3.532 1.645 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 61 1.232 1.257 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 61 1.069 -0.650 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.071 0.524 0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.014 -1.226 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.399 -2.142 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.227 -1.148 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.952 -0.707 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.285 -0.399 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.544 -1.212 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.602 0.565 -1.767 1.00 0.00 H new ATOM 51 N ARG A 62 0.354 2.928 -0.691 1.00 0.00 N ATOM 52 CA ARG A 62 -0.755 3.558 0.076 1.00 0.00 C ATOM 53 C ARG A 62 -0.881 4.976 -0.403 1.00 0.00 C ATOM 54 O ARG A 62 -1.975 5.475 -0.581 1.00 0.00 O ATOM 55 CB ARG A 62 -0.469 3.541 1.603 1.00 0.00 C ATOM 56 CG ARG A 62 -1.065 2.253 2.216 1.00 0.00 C ATOM 57 CD ARG A 62 -0.986 2.326 3.755 1.00 0.00 C ATOM 58 NE ARG A 62 -1.803 1.209 4.320 1.00 0.00 N ATOM 59 CZ ARG A 62 -2.317 1.312 5.513 1.00 0.00 C ATOM 60 NH1 ARG A 62 -3.482 1.878 5.648 1.00 0.00 N ATOM 61 NH2 ARG A 62 -1.649 0.843 6.527 1.00 0.00 N ATOM 0 H ARG A 62 1.132 3.557 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.678 3.001 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.605 3.582 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.906 4.420 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.102 2.134 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.520 1.381 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.049 2.245 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.360 3.287 4.109 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.959 0.364 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.975 2.231 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.901 1.968 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.740 0.404 6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.035 0.914 7.469 1.00 0.00 H new ATOM 75 N ILE A 63 0.235 5.594 -0.622 1.00 0.00 N ATOM 76 CA ILE A 63 0.222 6.978 -1.089 1.00 0.00 C ATOM 77 C ILE A 63 -0.526 7.116 -2.419 1.00 0.00 C ATOM 78 O ILE A 63 -1.329 8.015 -2.578 1.00 0.00 O ATOM 79 CB ILE A 63 1.700 7.367 -1.139 1.00 0.00 C ATOM 80 CG1 ILE A 63 2.143 7.531 0.354 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.931 8.588 -2.016 1.00 0.00 C ATOM 82 CD1 ILE A 63 3.113 8.681 0.540 1.00 0.00 C ATOM 0 H ILE A 63 1.161 5.187 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.326 7.656 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 63 2.319 6.607 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.263 7.696 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.608 6.607 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.993 8.833 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.598 8.375 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.368 9.433 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.392 8.756 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.005 8.505 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.640 9.611 0.223 1.00 0.00 H new ATOM 94 N LEU A 64 -0.260 6.227 -3.339 1.00 0.00 N ATOM 95 CA LEU A 64 -0.971 6.334 -4.652 1.00 0.00 C ATOM 96 C LEU A 64 -2.392 5.768 -4.591 1.00 0.00 C ATOM 97 O LEU A 64 -3.316 6.242 -5.228 1.00 0.00 O ATOM 98 CB LEU A 64 -0.161 5.570 -5.729 1.00 0.00 C ATOM 99 CG LEU A 64 1.312 6.063 -5.770 1.00 0.00 C ATOM 100 CD1 LEU A 64 2.071 5.280 -6.861 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.381 7.577 -6.101 1.00 0.00 C ATOM 0 H LEU A 64 0.398 5.453 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.050 7.392 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.185 4.501 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.623 5.712 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 64 1.762 5.898 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.106 5.619 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.045 4.215 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.598 5.452 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.423 7.897 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.924 7.758 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.845 8.141 -5.338 1.00 0.00 H new ATOM 113 N GLN A 65 -2.510 4.759 -3.780 1.00 0.00 N ATOM 114 CA GLN A 65 -3.806 4.052 -3.590 1.00 0.00 C ATOM 115 C GLN A 65 -4.983 4.958 -3.267 1.00 0.00 C ATOM 116 O GLN A 65 -6.109 4.630 -3.585 1.00 0.00 O ATOM 117 CB GLN A 65 -3.562 3.014 -2.484 1.00 0.00 C ATOM 118 CG GLN A 65 -2.737 1.803 -3.031 1.00 0.00 C ATOM 119 CD GLN A 65 -1.535 2.232 -3.885 1.00 0.00 C ATOM 120 OE1 GLN A 65 -1.470 1.941 -5.058 1.00 0.00 O ATOM 121 NE2 GLN A 65 -0.562 2.925 -3.373 1.00 0.00 N ATOM 0 H GLN A 65 -1.741 4.383 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.104 3.590 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.028 3.478 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.516 2.662 -2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.384 1.203 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.390 1.165 -3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.586 3.187 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.225 3.207 -3.957 1.00 0.00 H new ATOM 130 N GLN A 66 -4.718 6.076 -2.663 1.00 0.00 N ATOM 131 CA GLN A 66 -5.811 7.008 -2.312 1.00 0.00 C ATOM 132 C GLN A 66 -6.402 7.693 -3.546 1.00 0.00 C ATOM 133 O GLN A 66 -7.571 8.017 -3.601 1.00 0.00 O ATOM 134 CB GLN A 66 -5.232 8.029 -1.356 1.00 0.00 C ATOM 135 CG GLN A 66 -4.833 7.354 -0.032 1.00 0.00 C ATOM 136 CD GLN A 66 -4.594 8.451 0.998 1.00 0.00 C ATOM 137 OE1 GLN A 66 -5.437 8.713 1.828 1.00 0.00 O ATOM 138 NE2 GLN A 66 -3.485 9.127 0.997 1.00 0.00 N ATOM 0 H GLN A 66 -3.783 6.385 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.632 6.459 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.361 8.506 -1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.963 8.815 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.620 6.679 0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.933 6.753 -0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.763 8.921 0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.336 9.863 1.687 1.00 0.00 H new ATOM 147 N LEU A 67 -5.561 7.879 -4.521 1.00 0.00 N ATOM 148 CA LEU A 67 -6.008 8.544 -5.771 1.00 0.00 C ATOM 149 C LEU A 67 -6.744 7.509 -6.580 1.00 0.00 C ATOM 150 O LEU A 67 -7.796 7.746 -7.145 1.00 0.00 O ATOM 151 CB LEU A 67 -4.799 9.064 -6.552 1.00 0.00 C ATOM 152 CG LEU A 67 -4.118 10.204 -5.750 1.00 0.00 C ATOM 153 CD1 LEU A 67 -3.130 9.668 -4.689 1.00 0.00 C ATOM 154 CD2 LEU A 67 -3.395 11.136 -6.722 1.00 0.00 C ATOM 0 H LEU A 67 -4.581 7.598 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.652 9.395 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.090 8.255 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.114 9.430 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.894 10.748 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.680 10.505 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.664 9.032 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.348 9.088 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.914 11.940 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.641 10.574 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.114 11.560 -7.423 1.00 0.00 H new ATOM 166 N LEU A 68 -6.143 6.354 -6.593 1.00 0.00 N ATOM 167 CA LEU A 68 -6.757 5.236 -7.358 1.00 0.00 C ATOM 168 C LEU A 68 -8.068 4.898 -6.680 1.00 0.00 C ATOM 169 O LEU A 68 -9.045 4.583 -7.327 1.00 0.00 O ATOM 170 CB LEU A 68 -5.827 4.003 -7.330 1.00 0.00 C ATOM 171 CG LEU A 68 -4.372 4.374 -7.730 1.00 0.00 C ATOM 172 CD1 LEU A 68 -3.498 3.108 -7.696 1.00 0.00 C ATOM 173 CD2 LEU A 68 -4.317 4.988 -9.144 1.00 0.00 C ATOM 0 H LEU A 68 -5.268 6.137 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.915 5.522 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.830 3.567 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.209 3.243 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.001 5.113 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.476 3.364 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.504 2.688 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.894 2.374 -8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.285 5.236 -9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.702 4.270 -9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.925 5.893 -9.172 1.00 0.00 H new ATOM 185 N PHE A 69 -8.032 4.990 -5.379 1.00 0.00 N ATOM 186 CA PHE A 69 -9.249 4.688 -4.572 1.00 0.00 C ATOM 187 C PHE A 69 -10.392 5.503 -5.138 1.00 0.00 C ATOM 188 O PHE A 69 -11.453 4.993 -5.432 1.00 0.00 O ATOM 189 CB PHE A 69 -8.981 5.058 -3.095 1.00 0.00 C ATOM 190 CG PHE A 69 -10.270 4.980 -2.263 1.00 0.00 C ATOM 191 CD1 PHE A 69 -10.878 3.768 -1.996 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.836 6.140 -1.769 1.00 0.00 C ATOM 193 CE1 PHE A 69 -12.036 3.719 -1.245 1.00 0.00 C ATOM 194 CE2 PHE A 69 -11.990 6.091 -1.021 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.590 4.882 -0.758 1.00 0.00 C ATOM 0 H PHE A 69 -7.211 5.262 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.502 3.629 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.234 4.383 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.568 6.065 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.445 2.855 -2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.369 7.092 -1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.507 2.769 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.425 7.003 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.495 4.844 -0.170 1.00 0.00 H new ATOM 205 N ILE A 70 -10.121 6.760 -5.290 1.00 0.00 N ATOM 206 CA ILE A 70 -11.145 7.683 -5.835 1.00 0.00 C ATOM 207 C ILE A 70 -11.429 7.437 -7.314 1.00 0.00 C ATOM 208 O ILE A 70 -12.570 7.392 -7.735 1.00 0.00 O ATOM 209 CB ILE A 70 -10.645 9.103 -5.558 1.00 0.00 C ATOM 210 CG1 ILE A 70 -10.653 9.189 -3.994 1.00 0.00 C ATOM 211 CG2 ILE A 70 -11.606 10.138 -6.182 1.00 0.00 C ATOM 212 CD1 ILE A 70 -10.721 10.608 -3.520 1.00 0.00 C ATOM 0 H ILE A 70 -9.227 7.193 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 70 -12.106 7.517 -5.349 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.663 9.311 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -11.505 8.633 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.755 8.715 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.239 11.144 -5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.658 9.982 -7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.599 10.019 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.725 10.628 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.855 11.157 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.633 11.073 -3.894 1.00 0.00 H new ATOM 224 N HIS A 71 -10.377 7.269 -8.062 1.00 0.00 N ATOM 225 CA HIS A 71 -10.545 7.031 -9.530 1.00 0.00 C ATOM 226 C HIS A 71 -11.124 5.658 -9.837 1.00 0.00 C ATOM 227 O HIS A 71 -11.573 5.411 -10.938 1.00 0.00 O ATOM 228 CB HIS A 71 -9.178 7.187 -10.219 1.00 0.00 C ATOM 229 CG HIS A 71 -8.630 8.608 -10.023 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.473 8.951 -10.497 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.207 9.674 -9.371 1.00 0.00 C ATOM 232 CE1 HIS A 71 -7.389 10.199 -10.117 1.00 0.00 C ATOM 233 NE2 HIS A 71 -8.394 10.694 -9.439 1.00 0.00 N ATOM 0 H HIS A 71 -9.413 7.285 -7.729 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.255 7.766 -9.909 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.475 6.461 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.275 6.973 -11.283 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.171 9.668 -8.884 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.523 10.799 -10.353 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.512 11.634 -9.061 1.00 0.00 H new ATOM 241 N PHE A 72 -11.096 4.800 -8.860 1.00 0.00 N ATOM 242 CA PHE A 72 -11.632 3.428 -9.020 1.00 0.00 C ATOM 243 C PHE A 72 -13.042 3.445 -8.440 1.00 0.00 C ATOM 244 O PHE A 72 -13.954 2.856 -8.981 1.00 0.00 O ATOM 245 CB PHE A 72 -10.722 2.455 -8.252 1.00 0.00 C ATOM 246 CG PHE A 72 -11.269 1.020 -8.262 1.00 0.00 C ATOM 247 CD1 PHE A 72 -11.784 0.447 -9.411 1.00 0.00 C ATOM 248 CD2 PHE A 72 -11.248 0.282 -7.093 1.00 0.00 C ATOM 249 CE1 PHE A 72 -12.269 -0.842 -9.389 1.00 0.00 C ATOM 250 CE2 PHE A 72 -11.733 -1.008 -7.070 1.00 0.00 C ATOM 251 CZ PHE A 72 -12.244 -1.570 -8.219 1.00 0.00 C ATOM 0 H PHE A 72 -10.714 5.000 -7.936 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.662 3.107 -10.061 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -9.726 2.466 -8.695 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.617 2.795 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -11.806 1.013 -10.330 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.848 0.720 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -12.669 -1.283 -10.290 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.712 -1.577 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 72 -12.625 -2.580 -8.203 1.00 0.00 H new ATOM 261 N ARG A 73 -13.159 4.144 -7.342 1.00 0.00 N ATOM 262 CA ARG A 73 -14.471 4.257 -6.652 1.00 0.00 C ATOM 263 C ARG A 73 -15.447 5.024 -7.539 1.00 0.00 C ATOM 264 O ARG A 73 -16.447 4.490 -7.987 1.00 0.00 O ATOM 265 CB ARG A 73 -14.326 5.024 -5.297 1.00 0.00 C ATOM 266 CG ARG A 73 -15.726 5.213 -4.630 1.00 0.00 C ATOM 267 CD ARG A 73 -15.709 6.374 -3.608 1.00 0.00 C ATOM 268 NE ARG A 73 -14.980 5.971 -2.367 1.00 0.00 N ATOM 269 CZ ARG A 73 -15.554 6.161 -1.210 1.00 0.00 C ATOM 270 NH1 ARG A 73 -16.588 5.428 -0.904 1.00 0.00 N ATOM 271 NH2 ARG A 73 -15.078 7.072 -0.412 1.00 0.00 N ATOM 0 H ARG A 73 -12.393 4.645 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.839 3.250 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.668 4.471 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.863 5.996 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.473 5.413 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.021 4.290 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.230 7.248 -4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.730 6.662 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.050 5.555 -2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.929 4.727 -1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.056 5.555 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.268 7.625 -0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.514 7.233 0.496 1.00 0.00 H new ATOM 285 N ILE A 74 -15.120 6.269 -7.775 1.00 0.00 N ATOM 286 CA ILE A 74 -16.002 7.125 -8.621 1.00 0.00 C ATOM 287 C ILE A 74 -16.365 6.453 -9.952 1.00 0.00 C ATOM 288 O ILE A 74 -17.454 6.655 -10.460 1.00 0.00 O ATOM 289 CB ILE A 74 -15.267 8.486 -8.847 1.00 0.00 C ATOM 290 CG1 ILE A 74 -15.088 9.183 -7.451 1.00 0.00 C ATOM 291 CG2 ILE A 74 -16.092 9.398 -9.785 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.498 10.602 -7.597 1.00 0.00 C ATOM 0 H ILE A 74 -14.282 6.728 -7.419 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.951 7.287 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.297 8.309 -9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -16.052 9.239 -6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.433 8.579 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.565 10.341 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.226 8.904 -10.747 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.067 9.592 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.388 11.054 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.522 10.543 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.166 11.213 -8.204 1.00 0.00 H new