USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 142 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 Set 1.1: A 7 HIS : no HD1:sc= -0.0364 X(o=0.63,f=0.51) USER MOD Set 1.2: A 13 TYR OH : rot 78:sc= 0.664 USER MOD Single : A 1 LEU N :NH3+ -120:sc= -0.0428 (180deg=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.622 1.507 -2.249 1.00 0.00 N ATOM 2 CA LEU A 1 1.721 0.433 -1.843 1.00 0.00 C ATOM 3 C LEU A 1 0.477 0.404 -2.725 1.00 0.00 C ATOM 4 O LEU A 1 0.279 1.280 -3.565 1.00 0.00 O ATOM 5 CB LEU A 1 1.318 0.605 -0.378 1.00 0.00 C ATOM 6 CG LEU A 1 2.277 0.013 0.656 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.492 0.911 0.833 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.566 -0.194 1.986 1.00 0.00 C ATOM 0 H1 LEU A 1 3.540 1.104 -2.525 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.211 2.018 -3.056 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.757 2.165 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 1 2.248 -0.514 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.209 1.670 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.337 0.151 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 1 2.618 -0.957 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.163 0.474 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.014 1.008 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.170 1.896 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.263 -0.616 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.196 0.763 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.728 -0.878 1.848 1.00 0.00 H new ATOM 20 N GLY A 2 -0.361 -0.609 -2.525 1.00 0.00 N ATOM 21 CA GLY A 2 -1.577 -0.732 -3.307 1.00 0.00 C ATOM 22 C GLY A 2 -2.208 -2.105 -3.186 1.00 0.00 C ATOM 23 O GLY A 2 -1.569 -3.050 -2.725 1.00 0.00 O ATOM 0 H GLY A 2 -0.219 -1.347 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.292 0.023 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.354 -0.529 -4.354 1.00 0.00 H new ATOM 27 N ARG A 3 -3.466 -2.215 -3.601 1.00 0.00 N ATOM 28 CA ARG A 3 -4.184 -3.482 -3.534 1.00 0.00 C ATOM 29 C ARG A 3 -3.448 -4.566 -4.316 1.00 0.00 C ATOM 30 O ARG A 3 -2.474 -4.288 -5.016 1.00 0.00 O ATOM 31 CB ARG A 3 -5.603 -3.317 -4.082 1.00 0.00 C ATOM 32 CG ARG A 3 -6.434 -2.297 -3.322 1.00 0.00 C ATOM 33 CD ARG A 3 -7.835 -2.177 -3.901 1.00 0.00 C ATOM 34 NE ARG A 3 -8.408 -0.852 -3.679 1.00 0.00 N ATOM 35 CZ ARG A 3 -8.912 -0.455 -2.517 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.914 -1.276 -1.476 1.00 0.00 N ATOM 37 NH2 ARG A 3 -9.415 0.767 -2.393 1.00 0.00 N ATOM 0 H ARG A 3 -4.009 -1.442 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.238 -3.786 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.547 -3.020 -5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.110 -4.282 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.496 -2.586 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.940 -1.326 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.804 -2.384 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.480 -2.931 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.422 -0.196 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.528 -2.216 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.302 -0.968 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.415 1.402 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.802 1.071 -1.500 1.00 0.00 H new ATOM 51 N VAL A 4 -3.920 -5.802 -4.192 1.00 0.00 N ATOM 52 CA VAL A 4 -3.308 -6.928 -4.887 1.00 0.00 C ATOM 53 C VAL A 4 -3.335 -6.722 -6.397 1.00 0.00 C ATOM 54 O VAL A 4 -2.301 -6.788 -7.061 1.00 0.00 O ATOM 55 CB VAL A 4 -4.019 -8.251 -4.547 1.00 0.00 C ATOM 56 CG1 VAL A 4 -3.258 -9.432 -5.131 1.00 0.00 C ATOM 57 CG2 VAL A 4 -4.177 -8.400 -3.042 1.00 0.00 C ATOM 0 H VAL A 4 -4.725 -6.049 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.273 -6.984 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.013 -8.234 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.775 -10.358 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.203 -9.329 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.250 -9.456 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.681 -9.341 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.194 -8.396 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.769 -7.571 -2.654 1.00 0.00 H new ATOM 67 N ASP A 5 -4.524 -6.472 -6.933 1.00 0.00 N ATOM 68 CA ASP A 5 -4.687 -6.255 -8.366 1.00 0.00 C ATOM 69 C ASP A 5 -5.689 -5.137 -8.636 1.00 0.00 C ATOM 70 O ASP A 5 -6.697 -5.012 -7.939 1.00 0.00 O ATOM 71 CB ASP A 5 -5.145 -7.544 -9.050 1.00 0.00 C ATOM 72 CG ASP A 5 -6.636 -7.779 -8.902 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.080 -8.074 -7.773 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.358 -7.670 -9.916 1.00 0.00 O ATOM 0 H ASP A 5 -5.390 -6.414 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.721 -5.959 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.890 -7.500 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.603 -8.389 -8.626 1.00 0.00 H new ATOM 79 N ILE A 6 -5.405 -4.327 -9.649 1.00 0.00 N ATOM 80 CA ILE A 6 -6.282 -3.219 -10.011 1.00 0.00 C ATOM 81 C ILE A 6 -7.704 -3.706 -10.270 1.00 0.00 C ATOM 82 O ILE A 6 -7.913 -4.710 -10.951 1.00 0.00 O ATOM 83 CB ILE A 6 -5.769 -2.479 -11.260 1.00 0.00 C ATOM 84 CG1 ILE A 6 -4.332 -2.000 -11.041 1.00 0.00 C ATOM 85 CG2 ILE A 6 -6.680 -1.307 -11.593 1.00 0.00 C ATOM 86 CD1 ILE A 6 -3.306 -2.786 -11.827 1.00 0.00 C ATOM 0 H ILE A 6 -4.575 -4.416 -10.234 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.284 -2.530 -9.167 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.777 -3.170 -12.103 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.262 -0.948 -11.318 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.093 -2.066 -9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.304 -0.794 -12.478 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.688 -1.673 -11.787 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.701 -0.613 -10.753 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.311 -2.391 -11.623 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.348 -3.835 -11.533 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.519 -2.699 -12.892 1.00 0.00 H new ATOM 98 N HIS A 7 -8.678 -2.986 -9.723 1.00 0.00 N ATOM 99 CA HIS A 7 -10.082 -3.343 -9.897 1.00 0.00 C ATOM 100 C HIS A 7 -10.451 -3.390 -11.377 1.00 0.00 C ATOM 101 O HIS A 7 -10.867 -4.429 -11.891 1.00 0.00 O ATOM 102 CB HIS A 7 -10.979 -2.342 -9.168 1.00 0.00 C ATOM 103 CG HIS A 7 -11.865 -2.973 -8.138 1.00 0.00 C ATOM 104 ND1 HIS A 7 -13.231 -2.786 -8.106 1.00 0.00 N ATOM 105 CD2 HIS A 7 -11.574 -3.792 -7.101 1.00 0.00 C ATOM 106 CE1 HIS A 7 -13.742 -3.463 -7.092 1.00 0.00 C ATOM 107 NE2 HIS A 7 -12.757 -4.082 -6.467 1.00 0.00 N ATOM 0 H HIS A 7 -8.522 -2.153 -9.156 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.235 -4.334 -9.470 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.354 -1.590 -8.687 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.598 -1.822 -9.899 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.594 -4.151 -6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.787 -3.503 -6.821 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.859 -4.679 -5.646 1.00 0.00 H new ATOM 115 N VAL A 8 -10.297 -2.258 -12.057 1.00 0.00 N ATOM 116 CA VAL A 8 -10.613 -2.170 -13.477 1.00 0.00 C ATOM 117 C VAL A 8 -9.681 -3.049 -14.304 1.00 0.00 C ATOM 118 O VAL A 8 -8.632 -3.479 -13.825 1.00 0.00 O ATOM 119 CB VAL A 8 -10.517 -0.719 -13.985 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.577 0.149 -13.324 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.125 -0.159 -13.736 1.00 0.00 C ATOM 0 H VAL A 8 -9.955 -1.389 -11.647 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.638 -2.521 -13.595 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.698 -0.715 -15.060 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.494 1.171 -13.695 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.567 -0.243 -13.559 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.431 0.142 -12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.075 0.867 -14.101 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.912 -0.175 -12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.389 -0.767 -14.261 1.00 0.00 H new ATOM 131 N TRP A 9 -10.071 -3.311 -15.546 1.00 0.00 N ATOM 132 CA TRP A 9 -9.270 -4.140 -16.439 1.00 0.00 C ATOM 133 C TRP A 9 -8.795 -3.337 -17.646 1.00 0.00 C ATOM 134 O TRP A 9 -9.604 -2.804 -18.405 1.00 0.00 O ATOM 135 CB TRP A 9 -10.076 -5.353 -16.904 1.00 0.00 C ATOM 136 CG TRP A 9 -9.226 -6.547 -17.217 1.00 0.00 C ATOM 137 CD1 TRP A 9 -8.268 -6.640 -18.186 1.00 0.00 C ATOM 138 CD2 TRP A 9 -9.258 -7.818 -16.559 1.00 0.00 C ATOM 139 NE1 TRP A 9 -7.703 -7.893 -18.170 1.00 0.00 N ATOM 140 CE2 TRP A 9 -8.293 -8.634 -17.181 1.00 0.00 C ATOM 141 CE3 TRP A 9 -10.007 -8.346 -15.504 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -8.060 -9.948 -16.782 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -9.775 -9.650 -15.110 1.00 0.00 C ATOM 144 CH2 TRP A 9 -8.808 -10.439 -15.747 1.00 0.00 C ATOM 0 H TRP A 9 -10.936 -2.962 -15.957 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.396 -4.485 -15.887 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.795 -5.621 -16.130 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.649 -5.081 -17.791 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.995 -5.846 -18.865 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -6.964 -8.218 -18.794 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -10.754 -7.746 -15.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.315 -10.558 -17.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.349 -10.068 -14.297 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -8.650 -11.454 -15.415 1.00 0.00 H new ATOM 155 N ASP A 10 -7.480 -3.255 -17.817 1.00 0.00 N ATOM 156 CA ASP A 10 -6.899 -2.518 -18.932 1.00 0.00 C ATOM 157 C ASP A 10 -7.389 -1.073 -18.944 1.00 0.00 C ATOM 158 O ASP A 10 -7.492 -0.451 -20.000 1.00 0.00 O ATOM 159 CB ASP A 10 -7.246 -3.198 -20.257 1.00 0.00 C ATOM 160 CG ASP A 10 -6.443 -2.647 -21.419 1.00 0.00 C ATOM 161 OD1 ASP A 10 -5.199 -2.729 -21.372 1.00 0.00 O ATOM 162 OD2 ASP A 10 -7.060 -2.132 -22.376 1.00 0.00 O ATOM 0 H ASP A 10 -6.797 -3.690 -17.197 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.816 -2.514 -18.807 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.065 -4.269 -20.170 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.309 -3.069 -20.460 1.00 0.00 H new ATOM 167 N GLY A 11 -7.691 -0.547 -17.761 1.00 0.00 N ATOM 168 CA GLY A 11 -8.169 0.820 -17.658 1.00 0.00 C ATOM 169 C GLY A 11 -9.634 0.895 -17.277 1.00 0.00 C ATOM 170 O GLY A 11 -10.011 1.645 -16.376 1.00 0.00 O ATOM 0 H GLY A 11 -7.613 -1.042 -16.873 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.576 1.354 -16.916 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.018 1.327 -18.611 1.00 0.00 H new ATOM 174 N VAL A 12 -10.463 0.116 -17.964 1.00 0.00 N ATOM 175 CA VAL A 12 -11.896 0.098 -17.693 1.00 0.00 C ATOM 176 C VAL A 12 -12.479 -1.294 -17.911 1.00 0.00 C ATOM 177 O VAL A 12 -12.069 -2.014 -18.822 1.00 0.00 O ATOM 178 CB VAL A 12 -12.649 1.103 -18.585 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.399 2.527 -18.113 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.239 0.935 -20.040 1.00 0.00 C ATOM 0 H VAL A 12 -10.167 -0.511 -18.712 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.024 0.383 -16.649 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.718 0.902 -18.507 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.939 3.223 -18.755 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.747 2.636 -17.086 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.332 2.744 -18.160 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.781 1.653 -20.656 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.167 1.108 -20.138 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.475 -0.077 -20.370 1.00 0.00 H new ATOM 190 N TYR A 13 -13.436 -1.666 -17.070 1.00 0.00 N ATOM 191 CA TYR A 13 -14.075 -2.973 -17.169 1.00 0.00 C ATOM 192 C TYR A 13 -14.605 -3.215 -18.578 1.00 0.00 C ATOM 193 O TYR A 13 -15.287 -2.365 -19.151 1.00 0.00 O ATOM 194 CB TYR A 13 -15.216 -3.085 -16.156 1.00 0.00 C ATOM 195 CG TYR A 13 -14.762 -3.506 -14.777 1.00 0.00 C ATOM 196 CD1 TYR A 13 -14.426 -4.827 -14.508 1.00 0.00 C ATOM 197 CD2 TYR A 13 -14.669 -2.583 -13.742 1.00 0.00 C ATOM 198 CE1 TYR A 13 -14.012 -5.217 -13.249 1.00 0.00 C ATOM 199 CE2 TYR A 13 -14.254 -2.963 -12.481 1.00 0.00 C ATOM 200 CZ TYR A 13 -13.927 -4.281 -12.239 1.00 0.00 C ATOM 201 OH TYR A 13 -13.514 -4.665 -10.983 1.00 0.00 O ATOM 0 H TYR A 13 -13.787 -1.081 -16.312 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.326 -3.733 -16.947 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.723 -2.123 -16.084 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.948 -3.804 -16.524 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.490 -5.562 -15.297 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.926 -1.550 -13.927 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.756 -6.249 -13.057 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.186 -2.232 -11.689 1.00 0.00 H new ATOM 0 HH TYR A 13 -12.539 -4.766 -10.976 1.00 0.00 H new ATOM 211 N ILE A 14 -14.288 -4.381 -19.131 1.00 0.00 N ATOM 212 CA ILE A 14 -14.734 -4.736 -20.473 1.00 0.00 C ATOM 213 C ILE A 14 -16.241 -4.555 -20.617 1.00 0.00 C ATOM 214 O ILE A 14 -17.023 -5.185 -19.907 1.00 0.00 O ATOM 215 CB ILE A 14 -14.368 -6.192 -20.820 1.00 0.00 C ATOM 216 CG1 ILE A 14 -12.859 -6.407 -20.687 1.00 0.00 C ATOM 217 CG2 ILE A 14 -14.834 -6.533 -22.227 1.00 0.00 C ATOM 218 CD1 ILE A 14 -12.039 -5.519 -21.596 1.00 0.00 C ATOM 0 H ILE A 14 -13.724 -5.096 -18.671 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.222 -4.066 -21.164 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.874 -6.856 -20.119 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.564 -6.226 -19.653 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.628 -7.449 -20.906 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.569 -7.565 -22.458 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.916 -6.414 -22.291 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -14.352 -5.866 -22.942 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.979 -5.726 -21.448 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.305 -5.716 -22.634 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.241 -4.474 -21.362 1.00 0.00 H new ATOM 230 N ARG A 15 -16.640 -3.690 -21.544 1.00 0.00 N ATOM 231 CA ARG A 15 -18.054 -3.425 -21.783 1.00 0.00 C ATOM 232 C ARG A 15 -18.679 -4.531 -22.627 1.00 0.00 C ATOM 233 O ARG A 15 -18.095 -4.980 -23.613 1.00 0.00 O ATOM 234 CB ARG A 15 -18.231 -2.075 -22.480 1.00 0.00 C ATOM 235 CG ARG A 15 -18.388 -0.909 -21.518 1.00 0.00 C ATOM 236 CD ARG A 15 -18.993 0.305 -22.207 1.00 0.00 C ATOM 237 NE ARG A 15 -18.576 1.555 -21.579 1.00 0.00 N ATOM 238 CZ ARG A 15 -19.088 2.741 -21.891 1.00 0.00 C ATOM 239 NH1 ARG A 15 -20.031 2.836 -22.818 1.00 0.00 N ATOM 240 NH2 ARG A 15 -18.656 3.834 -21.275 1.00 0.00 N ATOM 0 H ARG A 15 -16.005 -3.161 -22.141 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.561 -3.397 -20.818 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.370 -1.892 -23.122 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.107 -2.122 -23.127 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.021 -1.208 -20.683 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.415 -0.646 -21.102 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.698 0.311 -23.256 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.080 0.232 -22.182 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.852 1.516 -20.861 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.365 1.998 -23.293 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.422 3.747 -23.056 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.930 3.764 -20.561 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.049 4.744 -21.515 1.00 0.00 H new ATOM 254 N GLY A 16 -19.872 -4.968 -22.233 1.00 0.00 N ATOM 255 CA GLY A 16 -20.556 -6.018 -22.964 1.00 0.00 C ATOM 256 C GLY A 16 -19.743 -7.296 -23.040 1.00 0.00 C ATOM 257 O GLY A 16 -19.626 -8.024 -22.054 1.00 0.00 O ATOM 0 H GLY A 16 -20.376 -4.613 -21.421 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -21.512 -6.227 -22.484 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -20.776 -5.670 -23.973 1.00 0.00 H new ATOM 261 N ARG A 17 -19.182 -7.569 -24.213 1.00 0.00 N ATOM 262 CA ARG A 17 -18.379 -8.769 -24.415 1.00 0.00 C ATOM 263 C ARG A 17 -16.906 -8.491 -24.132 1.00 0.00 C ATOM 264 O ARG A 17 -16.198 -9.338 -23.586 1.00 0.00 O ATOM 265 CB ARG A 17 -18.546 -9.286 -25.845 1.00 0.00 C ATOM 266 CG ARG A 17 -18.155 -10.745 -26.014 1.00 0.00 C ATOM 267 CD ARG A 17 -19.259 -11.677 -25.541 1.00 0.00 C ATOM 268 NE ARG A 17 -20.410 -11.663 -26.439 1.00 0.00 N ATOM 269 CZ ARG A 17 -21.337 -12.614 -26.462 1.00 0.00 C ATOM 270 NH1 ARG A 17 -21.249 -13.650 -25.638 1.00 0.00 N ATOM 271 NH2 ARG A 17 -22.355 -12.531 -27.308 1.00 0.00 N ATOM 0 H ARG A 17 -19.269 -6.976 -25.038 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.728 -9.531 -23.718 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.585 -9.159 -26.149 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.941 -8.676 -26.516 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.934 -10.944 -27.063 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.243 -10.946 -25.452 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.869 -12.692 -25.467 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.577 -11.384 -24.540 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.508 -10.879 -27.085 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.468 -13.717 -24.985 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.962 -14.379 -25.657 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.427 -11.736 -27.943 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.066 -13.262 -27.324 1.00 0.00 H new TER 285 ARG A 17