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= -11.7! C(o=-12!,f=-4.3!) USER MOD Single : A 66 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.55) USER MOD Single : A 71 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 4.200 3.361 -0.577 1.00 0.00 N ATOM 14 CA ILE A 60 3.736 3.263 -2.003 1.00 0.00 C ATOM 15 C ILE A 60 2.378 2.590 -2.089 1.00 0.00 C ATOM 16 O ILE A 60 1.465 3.094 -2.726 1.00 0.00 O ATOM 17 CB ILE A 60 4.794 2.463 -2.819 1.00 0.00 C ATOM 18 CG1 ILE A 60 6.208 3.113 -2.688 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.393 2.402 -4.316 1.00 0.00 C ATOM 20 CD1 ILE A 60 6.218 4.599 -3.130 1.00 0.00 C ATOM 0 HA ILE A 60 3.631 4.266 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 60 4.831 1.452 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.543 3.042 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.920 2.552 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.144 1.839 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.425 1.910 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.328 3.414 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.224 5.005 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.910 4.670 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.527 5.168 -2.508 1.00 0.00 H new ATOM 32 N ILE A 61 2.271 1.478 -1.419 1.00 0.00 N ATOM 33 CA ILE A 61 0.997 0.732 -1.432 1.00 0.00 C ATOM 34 C ILE A 61 -0.176 1.458 -0.759 1.00 0.00 C ATOM 35 O ILE A 61 -1.206 0.885 -0.471 1.00 0.00 O ATOM 36 CB ILE A 61 1.211 -0.656 -0.761 1.00 0.00 C ATOM 37 CG1 ILE A 61 2.347 -0.657 0.301 1.00 0.00 C ATOM 38 CG2 ILE A 61 1.416 -1.744 -1.850 1.00 0.00 C ATOM 39 CD1 ILE A 61 3.737 -0.968 -0.319 1.00 0.00 C ATOM 0 H ILE A 61 3.016 1.058 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 61 0.715 0.629 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 61 0.307 -0.894 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.381 0.315 0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.121 -1.396 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.565 -2.713 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.536 -1.787 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.291 -1.497 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.495 -0.957 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.714 -1.952 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.978 -0.214 -1.068 1.00 0.00 H new ATOM 51 N ARG A 62 0.003 2.726 -0.521 1.00 0.00 N ATOM 52 CA ARG A 62 -1.050 3.556 0.115 1.00 0.00 C ATOM 53 C ARG A 62 -1.085 4.873 -0.619 1.00 0.00 C ATOM 54 O ARG A 62 -2.140 5.427 -0.852 1.00 0.00 O ATOM 55 CB ARG A 62 -0.703 3.759 1.601 1.00 0.00 C ATOM 56 CG ARG A 62 -1.970 4.212 2.344 1.00 0.00 C ATOM 57 CD ARG A 62 -1.673 4.347 3.845 1.00 0.00 C ATOM 58 NE ARG A 62 -2.981 4.536 4.532 1.00 0.00 N ATOM 59 CZ ARG A 62 -3.045 5.105 5.701 1.00 0.00 C ATOM 60 NH1 ARG A 62 -3.152 6.401 5.749 1.00 0.00 N ATOM 61 NH2 ARG A 62 -2.999 4.354 6.764 1.00 0.00 N ATOM 0 H ARG A 62 0.859 3.233 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.028 3.078 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.324 2.832 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.085 4.505 1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.315 5.166 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.772 3.491 2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.166 3.458 4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.013 5.194 4.033 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.838 4.215 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.184 6.942 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.204 6.875 6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.914 3.342 6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.047 4.778 7.690 1.00 0.00 H new ATOM 75 N ILE A 63 0.060 5.351 -0.989 1.00 0.00 N ATOM 76 CA ILE A 63 0.114 6.622 -1.710 1.00 0.00 C ATOM 77 C ILE A 63 -0.633 6.526 -3.050 1.00 0.00 C ATOM 78 O ILE A 63 -1.452 7.367 -3.370 1.00 0.00 O ATOM 79 CB ILE A 63 1.607 6.925 -1.826 1.00 0.00 C ATOM 80 CG1 ILE A 63 2.069 7.328 -0.381 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.880 7.963 -2.903 1.00 0.00 C ATOM 82 CD1 ILE A 63 3.114 8.423 -0.397 1.00 0.00 C ATOM 0 H ILE A 63 0.962 4.907 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.394 7.442 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 63 2.190 6.067 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.205 7.661 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.472 6.452 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.951 8.156 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.527 7.591 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.358 8.888 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.401 8.667 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.990 8.082 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.704 9.310 -0.880 1.00 0.00 H new ATOM 94 N LEU A 64 -0.352 5.498 -3.807 1.00 0.00 N ATOM 95 CA LEU A 64 -1.060 5.380 -5.126 1.00 0.00 C ATOM 96 C LEU A 64 -2.566 5.128 -4.956 1.00 0.00 C ATOM 97 O LEU A 64 -3.403 5.568 -5.727 1.00 0.00 O ATOM 98 CB LEU A 64 -0.453 4.212 -5.938 1.00 0.00 C ATOM 99 CG LEU A 64 1.089 4.356 -6.099 1.00 0.00 C ATOM 100 CD1 LEU A 64 1.616 3.120 -6.846 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.440 5.616 -6.926 1.00 0.00 C ATOM 0 H LEU A 64 0.312 4.756 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.929 6.327 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.680 3.268 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.919 4.174 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 64 1.542 4.445 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.696 3.202 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.383 2.222 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.143 3.058 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.522 5.696 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.989 5.539 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.056 6.502 -6.420 1.00 0.00 H new ATOM 113 N GLN A 65 -2.852 4.422 -3.902 1.00 0.00 N ATOM 114 CA GLN A 65 -4.250 4.046 -3.562 1.00 0.00 C ATOM 115 C GLN A 65 -5.198 5.229 -3.421 1.00 0.00 C ATOM 116 O GLN A 65 -6.396 5.070 -3.536 1.00 0.00 O ATOM 117 CB GLN A 65 -4.153 3.215 -2.272 1.00 0.00 C ATOM 118 CG GLN A 65 -3.508 1.807 -2.563 1.00 0.00 C ATOM 119 CD GLN A 65 -2.258 1.881 -3.458 1.00 0.00 C ATOM 120 OE1 GLN A 65 -2.259 1.406 -4.572 1.00 0.00 O ATOM 121 NE2 GLN A 65 -1.171 2.467 -3.046 1.00 0.00 N ATOM 0 H GLN A 65 -2.154 4.080 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.693 3.477 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.555 3.749 -1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.146 3.084 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.241 1.335 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.250 1.167 -3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.135 2.878 -2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.355 2.515 -3.656 1.00 0.00 H new ATOM 130 N GLN A 66 -4.658 6.388 -3.190 1.00 0.00 N ATOM 131 CA GLN A 66 -5.507 7.592 -3.037 1.00 0.00 C ATOM 132 C GLN A 66 -6.096 8.039 -4.381 1.00 0.00 C ATOM 133 O GLN A 66 -7.188 8.568 -4.464 1.00 0.00 O ATOM 134 CB GLN A 66 -4.643 8.696 -2.451 1.00 0.00 C ATOM 135 CG GLN A 66 -4.383 8.501 -0.942 1.00 0.00 C ATOM 136 CD GLN A 66 -3.903 9.851 -0.385 1.00 0.00 C ATOM 137 OE1 GLN A 66 -4.512 10.872 -0.621 1.00 0.00 O ATOM 138 NE2 GLN A 66 -2.836 9.936 0.352 1.00 0.00 N ATOM 0 H GLN A 66 -3.655 6.553 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.346 7.365 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.690 8.728 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.129 9.658 -2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.291 8.176 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.632 7.728 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.299 9.097 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.536 10.842 0.712 1.00 0.00 H new ATOM 147 N LEU A 67 -5.339 7.787 -5.408 1.00 0.00 N ATOM 148 CA LEU A 67 -5.783 8.181 -6.768 1.00 0.00 C ATOM 149 C LEU A 67 -6.810 7.166 -7.205 1.00 0.00 C ATOM 150 O LEU A 67 -7.877 7.477 -7.703 1.00 0.00 O ATOM 151 CB LEU A 67 -4.581 8.185 -7.720 1.00 0.00 C ATOM 152 CG LEU A 67 -3.587 9.303 -7.296 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.632 8.845 -6.169 1.00 0.00 C ATOM 154 CD2 LEU A 67 -2.786 9.749 -8.515 1.00 0.00 C ATOM 0 H LEU A 67 -4.431 7.325 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.214 9.182 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.084 7.215 -7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.915 8.350 -8.744 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.167 10.136 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.958 9.661 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.214 8.561 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.050 7.989 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.087 10.533 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.233 8.900 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.465 10.133 -9.276 1.00 0.00 H new ATOM 166 N LEU A 68 -6.431 5.942 -6.971 1.00 0.00 N ATOM 167 CA LEU A 68 -7.335 4.818 -7.346 1.00 0.00 C ATOM 168 C LEU A 68 -8.607 4.996 -6.542 1.00 0.00 C ATOM 169 O LEU A 68 -9.700 4.780 -7.032 1.00 0.00 O ATOM 170 CB LEU A 68 -6.658 3.476 -6.989 1.00 0.00 C ATOM 171 CG LEU A 68 -5.229 3.393 -7.587 1.00 0.00 C ATOM 172 CD1 LEU A 68 -4.586 2.044 -7.210 1.00 0.00 C ATOM 173 CD2 LEU A 68 -5.273 3.514 -9.129 1.00 0.00 C ATOM 0 H LEU A 68 -5.546 5.672 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.551 4.815 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.609 3.367 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.261 2.650 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.640 4.216 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.582 1.989 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.529 1.959 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.191 1.229 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.260 3.453 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.874 2.703 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.715 4.471 -9.406 1.00 0.00 H new ATOM 185 N PHE A 69 -8.403 5.401 -5.316 1.00 0.00 N ATOM 186 CA PHE A 69 -9.575 5.619 -4.414 1.00 0.00 C ATOM 187 C PHE A 69 -10.559 6.510 -5.137 1.00 0.00 C ATOM 188 O PHE A 69 -11.732 6.222 -5.212 1.00 0.00 O ATOM 189 CB PHE A 69 -9.133 6.304 -3.097 1.00 0.00 C ATOM 190 CG PHE A 69 -10.362 6.732 -2.267 1.00 0.00 C ATOM 191 CD1 PHE A 69 -11.287 5.802 -1.825 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.555 8.068 -1.949 1.00 0.00 C ATOM 193 CE1 PHE A 69 -12.380 6.198 -1.084 1.00 0.00 C ATOM 194 CE2 PHE A 69 -11.650 8.463 -1.207 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.563 7.529 -0.774 1.00 0.00 C ATOM 0 H PHE A 69 -7.489 5.588 -4.903 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.028 4.660 -4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.515 5.620 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.519 7.176 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.151 4.757 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.842 8.806 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.095 5.463 -0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.790 9.506 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.420 7.837 -0.193 1.00 0.00 H new ATOM 205 N ILE A 70 -10.033 7.567 -5.665 1.00 0.00 N ATOM 206 CA ILE A 70 -10.878 8.534 -6.401 1.00 0.00 C ATOM 207 C ILE A 70 -11.438 7.964 -7.695 1.00 0.00 C ATOM 208 O ILE A 70 -12.601 8.130 -8.004 1.00 0.00 O ATOM 209 CB ILE A 70 -10.017 9.778 -6.630 1.00 0.00 C ATOM 210 CG1 ILE A 70 -9.836 10.334 -5.178 1.00 0.00 C ATOM 211 CG2 ILE A 70 -10.739 10.804 -7.542 1.00 0.00 C ATOM 212 CD1 ILE A 70 -9.347 11.737 -5.198 1.00 0.00 C ATOM 0 H ILE A 70 -9.043 7.807 -5.619 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.765 8.783 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.074 9.568 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.786 10.285 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.131 9.708 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.101 11.676 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.950 10.346 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.674 11.112 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.231 12.096 -4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.385 11.780 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.066 12.365 -5.724 1.00 0.00 H new ATOM 224 N HIS A 71 -10.601 7.285 -8.415 1.00 0.00 N ATOM 225 CA HIS A 71 -11.054 6.693 -9.712 1.00 0.00 C ATOM 226 C HIS A 71 -12.113 5.606 -9.550 1.00 0.00 C ATOM 227 O HIS A 71 -12.966 5.437 -10.403 1.00 0.00 O ATOM 228 CB HIS A 71 -9.823 6.127 -10.432 1.00 0.00 C ATOM 229 CG HIS A 71 -8.791 7.246 -10.638 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.528 6.997 -10.819 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.012 8.606 -10.661 1.00 0.00 C ATOM 232 CE1 HIS A 71 -7.041 8.204 -10.946 1.00 0.00 C ATOM 233 NE2 HIS A 71 -7.873 9.210 -10.862 1.00 0.00 N ATOM 0 H HIS A 71 -9.626 7.110 -8.171 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.528 7.484 -10.293 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.386 5.318 -9.847 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.113 5.704 -11.394 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.969 9.091 -10.534 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.986 8.365 -11.115 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.681 10.209 -10.935 1.00 0.00 H new ATOM 241 N PHE A 72 -12.046 4.898 -8.456 1.00 0.00 N ATOM 242 CA PHE A 72 -13.029 3.820 -8.215 1.00 0.00 C ATOM 243 C PHE A 72 -14.150 4.387 -7.389 1.00 0.00 C ATOM 244 O PHE A 72 -15.285 3.986 -7.552 1.00 0.00 O ATOM 245 CB PHE A 72 -12.352 2.645 -7.469 1.00 0.00 C ATOM 246 CG PHE A 72 -11.379 1.932 -8.426 1.00 0.00 C ATOM 247 CD1 PHE A 72 -11.875 1.207 -9.493 1.00 0.00 C ATOM 248 CD2 PHE A 72 -10.010 2.002 -8.246 1.00 0.00 C ATOM 249 CE1 PHE A 72 -11.025 0.565 -10.365 1.00 0.00 C ATOM 250 CE2 PHE A 72 -9.154 1.361 -9.118 1.00 0.00 C ATOM 251 CZ PHE A 72 -9.660 0.642 -10.179 1.00 0.00 C ATOM 0 H PHE A 72 -11.350 5.024 -7.721 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.417 3.442 -9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.816 3.014 -6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -13.106 1.945 -7.109 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -12.942 1.143 -9.645 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.607 2.563 -7.416 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -11.426 0.001 -11.194 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.086 1.423 -8.969 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.991 0.141 -10.862 1.00 0.00 H new ATOM 261 N ARG A 73 -13.835 5.316 -6.520 1.00 0.00 N ATOM 262 CA ARG A 73 -14.937 5.877 -5.699 1.00 0.00 C ATOM 263 C ARG A 73 -15.842 6.623 -6.663 1.00 0.00 C ATOM 264 O ARG A 73 -17.041 6.435 -6.658 1.00 0.00 O ATOM 265 CB ARG A 73 -14.368 6.835 -4.606 1.00 0.00 C ATOM 266 CG ARG A 73 -15.509 7.410 -3.717 1.00 0.00 C ATOM 267 CD ARG A 73 -16.112 8.701 -4.318 1.00 0.00 C ATOM 268 NE ARG A 73 -15.041 9.743 -4.337 1.00 0.00 N ATOM 269 CZ ARG A 73 -14.911 10.539 -3.314 1.00 0.00 C ATOM 270 NH1 ARG A 73 -15.579 11.658 -3.297 1.00 0.00 N ATOM 271 NH2 ARG A 73 -14.115 10.171 -2.353 1.00 0.00 N ATOM 0 H ARG A 73 -12.903 5.694 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.486 5.095 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.653 6.297 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.826 7.652 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.293 6.662 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.122 7.620 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.482 8.516 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.961 9.038 -3.724 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.419 9.830 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.191 11.898 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.489 12.293 -2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.616 9.283 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.990 10.770 -1.537 1.00 0.00 H new ATOM 285 N ILE A 74 -15.239 7.449 -7.472 1.00 0.00 N ATOM 286 CA ILE A 74 -16.042 8.222 -8.459 1.00 0.00 C ATOM 287 C ILE A 74 -16.545 7.260 -9.539 1.00 0.00 C ATOM 288 O ILE A 74 -17.719 7.241 -9.852 1.00 0.00 O ATOM 289 CB ILE A 74 -15.144 9.329 -9.081 1.00 0.00 C ATOM 290 CG1 ILE A 74 -14.717 10.301 -7.946 1.00 0.00 C ATOM 291 CG2 ILE A 74 -15.894 10.089 -10.202 1.00 0.00 C ATOM 292 CD1 ILE A 74 -13.857 11.440 -8.512 1.00 0.00 C ATOM 0 H ILE A 74 -14.234 7.621 -7.493 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.898 8.695 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.263 8.876 -9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.601 10.712 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.157 9.758 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.243 10.857 -10.619 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.180 9.389 -10.988 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -16.788 10.556 -9.789 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -13.566 12.112 -7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.964 11.024 -8.978 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.430 11.993 -9.256 1.00 0.00 H new