USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 325 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.552 X(o=-0.55,f=-1) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 75:sc= 1.01 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc=0.000819 X(o=0.00082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 13.850 -2.007 4.386 1.00 0.00 N ATOM 2 CA ILE A 4 12.938 -3.188 4.322 1.00 0.00 C ATOM 3 C ILE A 4 13.712 -4.467 3.984 1.00 0.00 C ATOM 4 O ILE A 4 14.006 -5.263 4.871 1.00 0.00 O ATOM 5 CB ILE A 4 11.800 -2.972 3.290 1.00 0.00 C ATOM 6 CG1 ILE A 4 10.905 -1.804 3.714 1.00 0.00 C ATOM 7 CG2 ILE A 4 10.967 -4.239 3.133 1.00 0.00 C ATOM 8 CD1 ILE A 4 9.909 -1.392 2.652 1.00 0.00 C ATOM 0 HA ILE A 4 12.490 -3.300 5.310 1.00 0.00 H new ATOM 0 HB ILE A 4 12.255 -2.734 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.365 -2.080 4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 4 11.532 -0.948 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.175 -4.066 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.605 -5.053 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.525 -4.505 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.308 -0.560 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.442 -1.085 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.258 -2.234 2.418 1.00 0.00 H new ATOM 22 N VAL A 5 14.050 -4.656 2.703 1.00 0.00 N ATOM 23 CA VAL A 5 14.798 -5.842 2.274 1.00 0.00 C ATOM 24 C VAL A 5 16.271 -5.723 2.671 1.00 0.00 C ATOM 25 O VAL A 5 16.796 -6.565 3.399 1.00 0.00 O ATOM 26 CB VAL A 5 14.693 -6.063 0.748 1.00 0.00 C ATOM 27 CG1 VAL A 5 15.460 -7.309 0.329 1.00 0.00 C ATOM 28 CG2 VAL A 5 13.237 -6.168 0.319 1.00 0.00 C ATOM 0 H VAL A 5 13.819 -4.007 1.950 1.00 0.00 H new ATOM 0 HA VAL A 5 14.354 -6.701 2.777 1.00 0.00 H new ATOM 0 HB VAL A 5 15.138 -5.202 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.372 -7.445 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.511 -7.196 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.047 -8.179 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.186 -6.323 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.767 -7.008 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.714 -5.247 0.578 1.00 0.00 H new ATOM 38 N LEU A 6 16.925 -4.663 2.196 1.00 0.00 N ATOM 39 CA LEU A 6 18.329 -4.420 2.507 1.00 0.00 C ATOM 40 C LEU A 6 18.496 -3.066 3.204 1.00 0.00 C ATOM 41 O LEU A 6 18.595 -3.003 4.429 1.00 0.00 O ATOM 42 CB LEU A 6 19.174 -4.482 1.229 1.00 0.00 C ATOM 43 CG LEU A 6 20.056 -5.724 1.100 1.00 0.00 C ATOM 44 CD1 LEU A 6 20.433 -5.961 -0.353 1.00 0.00 C ATOM 45 CD2 LEU A 6 21.304 -5.582 1.956 1.00 0.00 C ATOM 0 H LEU A 6 16.501 -3.958 1.593 1.00 0.00 H new ATOM 0 HA LEU A 6 18.677 -5.198 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.508 -4.436 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.809 -3.597 1.188 1.00 0.00 H new ATOM 0 HG LEU A 6 19.490 -6.586 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 6 21.061 -6.849 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.529 -6.106 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.980 -5.098 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 6 21.920 -6.475 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 6 21.871 -4.710 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 6 21.017 -5.459 3.000 1.00 0.00 H new ATOM 57 N SER A 7 18.521 -1.987 2.421 1.00 0.00 N ATOM 58 CA SER A 7 18.671 -0.649 2.958 1.00 0.00 C ATOM 59 C SER A 7 17.443 0.209 2.636 1.00 0.00 C ATOM 60 O SER A 7 16.522 0.312 3.448 1.00 0.00 O ATOM 61 CB SER A 7 19.938 -0.006 2.393 1.00 0.00 C ATOM 62 OG SER A 7 20.262 -0.538 1.115 1.00 0.00 O ATOM 0 H SER A 7 18.438 -2.023 1.405 1.00 0.00 H new ATOM 0 HA SER A 7 18.758 -0.715 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 7 19.798 1.072 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 7 20.769 -0.171 3.079 1.00 0.00 H new ATOM 0 HG SER A 7 21.075 -0.107 0.778 1.00 0.00 H new ATOM 68 N LEU A 8 17.433 0.816 1.443 1.00 0.00 N ATOM 69 CA LEU A 8 16.315 1.663 1.009 1.00 0.00 C ATOM 70 C LEU A 8 16.082 2.837 1.973 1.00 0.00 C ATOM 71 O LEU A 8 14.968 3.355 2.075 1.00 0.00 O ATOM 72 CB LEU A 8 15.039 0.822 0.876 1.00 0.00 C ATOM 73 CG LEU A 8 15.137 -0.353 -0.101 1.00 0.00 C ATOM 74 CD1 LEU A 8 14.746 -1.652 0.583 1.00 0.00 C ATOM 75 CD2 LEU A 8 14.261 -0.108 -1.317 1.00 0.00 C ATOM 0 H LEU A 8 18.187 0.736 0.761 1.00 0.00 H new ATOM 0 HA LEU A 8 16.573 2.083 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.772 0.436 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.225 1.473 0.558 1.00 0.00 H new ATOM 0 HG LEU A 8 16.172 -0.438 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.822 -2.475 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.415 -1.836 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.720 -1.579 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.343 -0.953 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.224 0.004 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.587 0.801 -1.823 1.00 0.00 H new ATOM 87 N ASP A 9 17.143 3.265 2.665 1.00 0.00 N ATOM 88 CA ASP A 9 17.049 4.382 3.604 1.00 0.00 C ATOM 89 C ASP A 9 17.065 5.720 2.864 1.00 0.00 C ATOM 90 O ASP A 9 16.195 6.563 3.077 1.00 0.00 O ATOM 91 CB ASP A 9 18.193 4.322 4.620 1.00 0.00 C ATOM 92 CG ASP A 9 17.824 4.969 5.938 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.842 4.520 6.565 1.00 0.00 O ATOM 94 OD2 ASP A 9 18.516 5.926 6.340 1.00 0.00 O ATOM 0 H ASP A 9 18.074 2.854 2.591 1.00 0.00 H new ATOM 0 HA ASP A 9 16.102 4.299 4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.469 3.282 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.070 4.820 4.206 1.00 0.00 H new ATOM 99 N VAL A 10 18.050 5.902 1.978 1.00 0.00 N ATOM 100 CA VAL A 10 18.156 7.134 1.195 1.00 0.00 C ATOM 101 C VAL A 10 16.802 7.492 0.568 1.00 0.00 C ATOM 102 O VAL A 10 16.320 8.616 0.720 1.00 0.00 O ATOM 103 CB VAL A 10 19.233 7.022 0.090 1.00 0.00 C ATOM 104 CG1 VAL A 10 19.341 8.323 -0.690 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.582 6.649 0.690 1.00 0.00 C ATOM 0 H VAL A 10 18.780 5.216 1.787 1.00 0.00 H new ATOM 0 HA VAL A 10 18.457 7.927 1.880 1.00 0.00 H new ATOM 0 HB VAL A 10 18.932 6.232 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.104 8.222 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.382 8.549 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.615 9.132 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.325 6.575 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.887 7.415 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.500 5.690 1.201 1.00 0.00 H new ATOM 115 N PRO A 11 16.151 6.530 -0.127 1.00 0.00 N ATOM 116 CA PRO A 11 14.846 6.752 -0.741 1.00 0.00 C ATOM 117 C PRO A 11 13.696 6.528 0.225 1.00 0.00 C ATOM 118 O PRO A 11 12.696 5.883 -0.108 1.00 0.00 O ATOM 119 CB PRO A 11 14.825 5.727 -1.864 1.00 0.00 C ATOM 120 CG PRO A 11 15.639 4.585 -1.354 1.00 0.00 C ATOM 121 CD PRO A 11 16.619 5.150 -0.352 1.00 0.00 C ATOM 0 HA PRO A 11 14.716 7.781 -1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.807 5.415 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.249 6.136 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.000 3.835 -0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.165 4.092 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.619 4.574 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.638 5.133 -0.738 1.00 0.00 H new ATOM 129 N ILE A 12 13.833 7.086 1.418 1.00 0.00 N ATOM 130 CA ILE A 12 12.805 6.967 2.427 1.00 0.00 C ATOM 131 C ILE A 12 11.515 7.637 1.960 1.00 0.00 C ATOM 132 O ILE A 12 10.422 7.257 2.376 1.00 0.00 O ATOM 133 CB ILE A 12 13.282 7.548 3.781 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.736 6.407 4.700 1.00 0.00 C ATOM 135 CG2 ILE A 12 12.204 8.398 4.450 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.840 6.170 5.898 1.00 0.00 C ATOM 0 H ILE A 12 14.649 7.625 1.706 1.00 0.00 H new ATOM 0 HA ILE A 12 12.599 5.908 2.580 1.00 0.00 H new ATOM 0 HB ILE A 12 14.127 8.210 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.792 5.488 4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.744 6.622 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.581 8.785 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.939 9.230 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.321 7.786 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.236 5.346 6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.803 7.072 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.835 5.921 5.557 1.00 0.00 H new ATOM 148 N GLY A 13 11.645 8.609 1.057 1.00 0.00 N ATOM 149 CA GLY A 13 10.475 9.279 0.525 1.00 0.00 C ATOM 150 C GLY A 13 9.724 8.392 -0.443 1.00 0.00 C ATOM 151 O GLY A 13 8.494 8.390 -0.467 1.00 0.00 O ATOM 0 H GLY A 13 12.536 8.941 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.815 9.567 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.777 10.197 0.021 1.00 0.00 H new ATOM 155 N LEU A 14 10.473 7.613 -1.224 1.00 0.00 N ATOM 156 CA LEU A 14 9.876 6.690 -2.188 1.00 0.00 C ATOM 157 C LEU A 14 8.994 5.671 -1.471 1.00 0.00 C ATOM 158 O LEU A 14 7.933 5.290 -1.966 1.00 0.00 O ATOM 159 CB LEU A 14 10.960 5.962 -2.999 1.00 0.00 C ATOM 160 CG LEU A 14 12.151 6.819 -3.442 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.980 6.078 -4.476 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.684 8.153 -4.001 1.00 0.00 C ATOM 0 H LEU A 14 11.493 7.603 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 14 9.263 7.273 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.337 5.131 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.496 5.532 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 14 12.771 7.014 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.822 6.700 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.352 5.148 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.362 5.853 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.549 8.742 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.038 7.981 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.130 8.695 -3.235 1.00 0.00 H new ATOM 174 N LEU A 15 9.439 5.252 -0.289 1.00 0.00 N ATOM 175 CA LEU A 15 8.687 4.289 0.515 1.00 0.00 C ATOM 176 C LEU A 15 7.640 4.988 1.382 1.00 0.00 C ATOM 177 O LEU A 15 6.642 4.382 1.764 1.00 0.00 O ATOM 178 CB LEU A 15 9.627 3.439 1.378 1.00 0.00 C ATOM 179 CG LEU A 15 10.509 4.217 2.352 1.00 0.00 C ATOM 180 CD1 LEU A 15 9.826 4.362 3.702 1.00 0.00 C ATOM 181 CD2 LEU A 15 11.858 3.537 2.511 1.00 0.00 C ATOM 0 H LEU A 15 10.314 5.562 0.133 1.00 0.00 H new ATOM 0 HA LEU A 15 8.163 3.624 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.027 2.729 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.270 2.857 0.718 1.00 0.00 H new ATOM 0 HG LEU A 15 10.670 5.214 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.473 4.919 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.884 4.897 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.630 3.374 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.472 4.106 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.713 2.527 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.358 3.489 1.543 1.00 0.00 H new ATOM 193 N GLN A 16 7.851 6.273 1.664 1.00 0.00 N ATOM 194 CA GLN A 16 6.905 7.042 2.449 1.00 0.00 C ATOM 195 C GLN A 16 5.641 7.278 1.625 1.00 0.00 C ATOM 196 O GLN A 16 4.526 7.225 2.139 1.00 0.00 O ATOM 197 CB GLN A 16 7.523 8.379 2.879 1.00 0.00 C ATOM 198 CG GLN A 16 8.308 8.308 4.187 1.00 0.00 C ATOM 199 CD GLN A 16 7.536 7.651 5.316 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.397 8.013 5.599 1.00 0.00 O ATOM 201 NE2 GLN A 16 8.153 6.681 5.973 1.00 0.00 N ATOM 0 H GLN A 16 8.671 6.797 1.358 1.00 0.00 H new ATOM 0 HA GLN A 16 6.649 6.484 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.185 8.732 2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.729 9.118 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.232 7.755 4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.590 9.317 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.100 6.408 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.682 6.207 6.743 1.00 0.00 H new ATOM 210 N ILE A 17 5.830 7.521 0.328 1.00 0.00 N ATOM 211 CA ILE A 17 4.709 7.753 -0.584 1.00 0.00 C ATOM 212 C ILE A 17 3.769 6.553 -0.642 1.00 0.00 C ATOM 213 O ILE A 17 2.543 6.722 -0.639 1.00 0.00 O ATOM 214 CB ILE A 17 5.204 8.098 -2.007 1.00 0.00 C ATOM 215 CG1 ILE A 17 5.962 9.428 -1.994 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.037 8.155 -2.986 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.026 10.110 -3.342 1.00 0.00 C ATOM 0 H ILE A 17 6.748 7.562 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 17 4.155 8.604 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 17 5.884 7.312 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.485 10.100 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.977 9.253 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.409 8.399 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.537 7.187 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.330 8.920 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.579 11.045 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.530 9.459 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.015 10.319 -3.693 1.00 0.00 H new ATOM 229 N LEU A 18 4.333 5.342 -0.672 1.00 0.00 N ATOM 230 CA LEU A 18 3.514 4.131 -0.710 1.00 0.00 C ATOM 231 C LEU A 18 2.645 3.997 0.549 1.00 0.00 C ATOM 232 O LEU A 18 1.748 3.157 0.598 1.00 0.00 O ATOM 233 CB LEU A 18 4.384 2.885 -0.912 1.00 0.00 C ATOM 234 CG LEU A 18 5.033 2.338 0.354 1.00 0.00 C ATOM 235 CD1 LEU A 18 4.200 1.213 0.946 1.00 0.00 C ATOM 236 CD2 LEU A 18 6.446 1.857 0.066 1.00 0.00 C ATOM 0 H LEU A 18 5.339 5.177 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 18 2.842 4.217 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.771 2.101 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.168 3.121 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 18 5.084 3.146 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.683 0.839 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.207 1.588 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.112 0.405 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.892 1.470 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.416 1.067 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.045 2.688 -0.306 1.00 0.00 H new ATOM 248 N LEU A 19 2.893 4.846 1.552 1.00 0.00 N ATOM 249 CA LEU A 19 2.102 4.828 2.782 1.00 0.00 C ATOM 250 C LEU A 19 1.516 6.213 3.082 1.00 0.00 C ATOM 251 O LEU A 19 0.891 6.416 4.127 1.00 0.00 O ATOM 252 CB LEU A 19 2.941 4.314 3.962 1.00 0.00 C ATOM 253 CG LEU A 19 3.973 5.299 4.515 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.494 5.899 5.825 1.00 0.00 C ATOM 255 CD2 LEU A 19 5.314 4.612 4.707 1.00 0.00 C ATOM 0 H LEU A 19 3.631 5.550 1.535 1.00 0.00 H new ATOM 0 HA LEU A 19 1.268 4.141 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.266 4.031 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.460 3.408 3.649 1.00 0.00 H new ATOM 0 HG LEU A 19 4.096 6.106 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.243 6.596 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.555 6.428 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.340 5.104 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.036 5.327 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.202 3.785 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.667 4.230 3.749 1.00 0.00 H new ATOM 267 N GLU A 20 1.709 7.156 2.157 1.00 0.00 N ATOM 268 CA GLU A 20 1.195 8.505 2.304 1.00 0.00 C ATOM 269 C GLU A 20 0.057 8.749 1.324 1.00 0.00 C ATOM 270 O GLU A 20 -1.058 9.090 1.722 1.00 0.00 O ATOM 271 CB GLU A 20 2.314 9.511 2.070 1.00 0.00 C ATOM 272 CG GLU A 20 3.181 9.738 3.293 1.00 0.00 C ATOM 273 CD GLU A 20 3.159 11.175 3.766 1.00 0.00 C ATOM 274 OE1 GLU A 20 2.285 11.512 4.590 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.013 11.962 3.311 1.00 0.00 O ATOM 0 H GLU A 20 2.225 7.000 1.291 1.00 0.00 H new ATOM 0 HA GLU A 20 0.811 8.627 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.940 9.163 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.880 10.461 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.841 9.089 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.207 9.451 3.064 1.00 0.00 H new ATOM 282 N GLN A 21 0.334 8.543 0.036 1.00 0.00 N ATOM 283 CA GLN A 21 -0.684 8.720 -0.992 1.00 0.00 C ATOM 284 C GLN A 21 -1.468 7.433 -1.209 1.00 0.00 C ATOM 285 O GLN A 21 -2.493 7.421 -1.896 1.00 0.00 O ATOM 286 CB GLN A 21 -0.057 9.217 -2.299 1.00 0.00 C ATOM 287 CG GLN A 21 0.657 8.134 -3.094 1.00 0.00 C ATOM 288 CD GLN A 21 0.400 8.241 -4.585 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.628 7.789 -5.082 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.335 8.845 -5.306 1.00 0.00 N ATOM 0 H GLN A 21 1.248 8.256 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.385 9.480 -0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.838 9.655 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.652 10.013 -2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.729 8.199 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.331 7.155 -2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.174 9.206 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.215 8.948 -6.314 1.00 0.00 H new ATOM 299 N ALA A 22 -1.006 6.362 -0.575 1.00 0.00 N ATOM 300 CA ALA A 22 -1.683 5.079 -0.650 1.00 0.00 C ATOM 301 C ALA A 22 -2.802 5.020 0.389 1.00 0.00 C ATOM 302 O ALA A 22 -3.688 4.175 0.305 1.00 0.00 O ATOM 303 CB ALA A 22 -0.699 3.939 -0.450 1.00 0.00 C ATOM 0 H ALA A 22 -0.162 6.360 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.121 4.971 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.227 2.988 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.066 3.979 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.229 4.032 0.529 1.00 0.00 H new ATOM 309 N ARG A 23 -2.766 5.941 1.362 1.00 0.00 N ATOM 310 CA ARG A 23 -3.790 5.999 2.406 1.00 0.00 C ATOM 311 C ARG A 23 -5.186 6.055 1.785 1.00 0.00 C ATOM 312 O ARG A 23 -5.978 5.125 1.929 1.00 0.00 O ATOM 313 CB ARG A 23 -3.566 7.220 3.306 1.00 0.00 C ATOM 314 CG ARG A 23 -2.195 7.255 3.963 1.00 0.00 C ATOM 315 CD ARG A 23 -2.111 6.304 5.143 1.00 0.00 C ATOM 316 NE ARG A 23 -0.821 6.426 5.827 1.00 0.00 N ATOM 317 CZ ARG A 23 -0.657 6.485 7.144 1.00 0.00 C ATOM 318 NH1 ARG A 23 -1.687 6.377 7.963 1.00 0.00 N ATOM 319 NH2 ARG A 23 0.552 6.641 7.641 1.00 0.00 N ATOM 0 H ARG A 23 -2.040 6.653 1.445 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.713 5.096 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.698 8.125 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.331 7.233 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.433 6.992 3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.978 8.269 4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.919 6.516 5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.248 5.279 4.799 1.00 0.00 H new ATOM 0 HE ARG A 23 0.017 6.469 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.626 6.246 7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.544 6.424 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.355 6.716 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.686 6.687 8.651 1.00 0.00 H new ATOM 333 N ALA A 24 -5.470 7.147 1.077 1.00 0.00 N ATOM 334 CA ALA A 24 -6.763 7.322 0.416 1.00 0.00 C ATOM 335 C ALA A 24 -6.923 6.390 -0.788 1.00 0.00 C ATOM 336 O ALA A 24 -8.021 6.262 -1.337 1.00 0.00 O ATOM 337 CB ALA A 24 -6.949 8.777 0.005 1.00 0.00 C ATOM 0 H ALA A 24 -4.822 7.924 0.946 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.541 7.054 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.915 8.896 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.911 9.413 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.154 9.065 -0.683 1.00 0.00 H new ATOM 343 N ARG A 25 -5.832 5.732 -1.186 1.00 0.00 N ATOM 344 CA ARG A 25 -5.860 4.806 -2.304 1.00 0.00 C ATOM 345 C ARG A 25 -6.229 3.412 -1.815 1.00 0.00 C ATOM 346 O ARG A 25 -7.124 2.769 -2.356 1.00 0.00 O ATOM 347 CB ARG A 25 -4.494 4.799 -2.989 1.00 0.00 C ATOM 348 CG ARG A 25 -4.518 5.326 -4.414 1.00 0.00 C ATOM 349 CD ARG A 25 -4.279 6.827 -4.445 1.00 0.00 C ATOM 350 NE ARG A 25 -5.347 7.559 -3.751 1.00 0.00 N ATOM 351 CZ ARG A 25 -6.216 8.377 -4.340 1.00 0.00 C ATOM 352 NH1 ARG A 25 -6.162 8.606 -5.639 1.00 0.00 N ATOM 353 NH2 ARG A 25 -7.145 8.970 -3.618 1.00 0.00 N ATOM 0 H ARG A 25 -4.918 5.829 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.613 5.123 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.800 5.400 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.107 3.780 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.754 4.821 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.480 5.098 -4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.320 7.053 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.218 7.165 -5.479 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.429 7.431 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.446 8.153 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.836 9.236 -6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.195 8.801 -2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.814 9.598 -4.064 1.00 0.00 H new ATOM 367 N ALA A 26 -5.552 2.972 -0.767 1.00 0.00 N ATOM 368 CA ALA A 26 -5.815 1.675 -0.165 1.00 0.00 C ATOM 369 C ALA A 26 -7.082 1.718 0.687 1.00 0.00 C ATOM 370 O ALA A 26 -7.679 0.682 0.967 1.00 0.00 O ATOM 371 CB ALA A 26 -4.621 1.228 0.667 1.00 0.00 C ATOM 0 H ALA A 26 -4.808 3.501 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.972 0.950 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.831 0.255 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.741 1.152 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.435 1.956 1.457 1.00 0.00 H new ATOM 377 N ALA A 27 -7.506 2.923 1.087 1.00 0.00 N ATOM 378 CA ALA A 27 -8.709 3.070 1.890 1.00 0.00 C ATOM 379 C ALA A 27 -9.926 2.557 1.138 1.00 0.00 C ATOM 380 O ALA A 27 -10.827 1.968 1.733 1.00 0.00 O ATOM 381 CB ALA A 27 -8.897 4.521 2.318 1.00 0.00 C ATOM 0 H ALA A 27 -7.033 3.799 0.866 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.595 2.467 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.803 4.609 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.038 4.840 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.984 5.153 1.434 1.00 0.00 H new ATOM 387 N ARG A 28 -9.931 2.744 -0.178 1.00 0.00 N ATOM 388 CA ARG A 28 -11.036 2.252 -0.998 1.00 0.00 C ATOM 389 C ARG A 28 -10.870 0.765 -1.287 1.00 0.00 C ATOM 390 O ARG A 28 -11.822 0.081 -1.669 1.00 0.00 O ATOM 391 CB ARG A 28 -11.113 3.014 -2.316 1.00 0.00 C ATOM 392 CG ARG A 28 -9.962 2.696 -3.257 1.00 0.00 C ATOM 393 CD ARG A 28 -9.609 3.886 -4.119 1.00 0.00 C ATOM 394 NE ARG A 28 -9.474 5.084 -3.300 1.00 0.00 N ATOM 395 CZ ARG A 28 -10.157 6.206 -3.475 1.00 0.00 C ATOM 396 NH1 ARG A 28 -11.004 6.344 -4.479 1.00 0.00 N ATOM 397 NH2 ARG A 28 -9.984 7.197 -2.631 1.00 0.00 N ATOM 0 H ARG A 28 -9.195 3.225 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.959 2.410 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.055 2.778 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.121 4.084 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.090 2.393 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.232 1.852 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.677 3.694 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.381 4.038 -4.873 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.802 5.057 -2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.143 5.578 -5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.520 7.216 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.331 7.097 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.503 8.067 -2.753 1.00 0.00 H new ATOM 411 N GLU A 29 -9.653 0.274 -1.110 1.00 0.00 N ATOM 412 CA GLU A 29 -9.344 -1.124 -1.361 1.00 0.00 C ATOM 413 C GLU A 29 -9.467 -1.951 -0.092 1.00 0.00 C ATOM 414 O GLU A 29 -9.977 -3.068 -0.120 1.00 0.00 O ATOM 415 CB GLU A 29 -7.937 -1.240 -1.940 1.00 0.00 C ATOM 416 CG GLU A 29 -7.917 -1.347 -3.457 1.00 0.00 C ATOM 417 CD GLU A 29 -7.092 -2.517 -3.950 1.00 0.00 C ATOM 418 OE1 GLU A 29 -7.652 -3.626 -4.066 1.00 0.00 O ATOM 419 OE2 GLU A 29 -5.888 -2.323 -4.217 1.00 0.00 O ATOM 0 H GLU A 29 -8.858 0.828 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.064 -1.515 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.354 -0.370 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.448 -2.116 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.939 -1.448 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.518 -0.424 -3.877 1.00 0.00 H new ATOM 426 N GLN A 30 -9.006 -1.388 1.018 1.00 0.00 N ATOM 427 CA GLN A 30 -9.059 -2.056 2.314 1.00 0.00 C ATOM 428 C GLN A 30 -10.469 -2.538 2.634 1.00 0.00 C ATOM 429 O GLN A 30 -10.646 -3.591 3.244 1.00 0.00 O ATOM 430 CB GLN A 30 -8.563 -1.110 3.405 1.00 0.00 C ATOM 431 CG GLN A 30 -7.127 -1.378 3.826 1.00 0.00 C ATOM 432 CD GLN A 30 -6.954 -1.400 5.328 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.510 -2.391 5.898 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.302 -0.303 5.981 1.00 0.00 N ATOM 0 H GLN A 30 -8.586 -0.459 1.046 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.411 -2.931 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.645 -0.083 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.212 -1.199 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.804 -2.334 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.479 -0.612 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.667 0.500 5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.205 -0.261 6.995 1.00 0.00 H new ATOM 443 N ALA A 31 -11.463 -1.768 2.205 1.00 0.00 N ATOM 444 CA ALA A 31 -12.864 -2.121 2.431 1.00 0.00 C ATOM 445 C ALA A 31 -13.382 -3.035 1.325 1.00 0.00 C ATOM 446 O ALA A 31 -14.139 -3.976 1.577 1.00 0.00 O ATOM 447 CB ALA A 31 -13.717 -0.863 2.537 1.00 0.00 C ATOM 0 H ALA A 31 -11.326 -0.894 1.698 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.932 -2.665 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.757 -1.142 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.365 -0.254 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.639 -0.292 1.612 1.00 0.00 H new ATOM 453 N THR A 32 -12.952 -2.753 0.103 1.00 0.00 N ATOM 454 CA THR A 32 -13.345 -3.538 -1.064 1.00 0.00 C ATOM 455 C THR A 32 -12.697 -4.917 -1.023 1.00 0.00 C ATOM 456 O THR A 32 -13.368 -5.933 -1.209 1.00 0.00 O ATOM 457 CB THR A 32 -12.963 -2.801 -2.354 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.469 -1.475 -2.341 1.00 0.00 O ATOM 459 CG2 THR A 32 -13.483 -3.465 -3.609 1.00 0.00 C ATOM 0 H THR A 32 -12.324 -1.978 -0.109 1.00 0.00 H new ATOM 0 HA THR A 32 -14.427 -3.668 -1.047 1.00 0.00 H new ATOM 0 HB THR A 32 -11.873 -2.818 -2.377 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.929 -0.925 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.174 -2.888 -4.481 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.079 -4.475 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.571 -3.511 -3.572 1.00 0.00 H new ATOM 467 N THR A 33 -11.395 -4.950 -0.751 1.00 0.00 N ATOM 468 CA THR A 33 -10.669 -6.214 -0.659 1.00 0.00 C ATOM 469 C THR A 33 -11.198 -7.046 0.507 1.00 0.00 C ATOM 470 O THR A 33 -11.416 -8.244 0.361 1.00 0.00 O ATOM 471 CB THR A 33 -9.158 -5.976 -0.519 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.443 -7.162 -0.809 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.726 -5.516 0.857 1.00 0.00 C ATOM 0 H THR A 33 -10.823 -4.121 -0.591 1.00 0.00 H new ATOM 0 HA THR A 33 -10.833 -6.769 -1.583 1.00 0.00 H new ATOM 0 HB THR A 33 -8.935 -5.179 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.482 -6.995 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.646 -5.371 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.221 -4.575 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.000 -6.270 1.595 1.00 0.00 H new ATOM 481 N ASN A 34 -11.442 -6.399 1.654 1.00 0.00 N ATOM 482 CA ASN A 34 -11.978 -7.089 2.819 1.00 0.00 C ATOM 483 C ASN A 34 -13.251 -7.835 2.437 1.00 0.00 C ATOM 484 O ASN A 34 -13.354 -9.050 2.629 1.00 0.00 O ATOM 485 CB ASN A 34 -12.263 -6.085 3.936 1.00 0.00 C ATOM 486 CG ASN A 34 -11.651 -6.494 5.260 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.120 -7.420 5.914 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.595 -5.800 5.660 1.00 0.00 N ATOM 0 H ASN A 34 -11.275 -5.402 1.793 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.243 -7.810 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.876 -5.108 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.341 -5.978 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.139 -6.029 6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.238 -5.037 5.084 1.00 0.00 H new ATOM 495 N ALA A 35 -14.207 -7.106 1.856 1.00 0.00 N ATOM 496 CA ALA A 35 -15.452 -7.707 1.408 1.00 0.00 C ATOM 497 C ALA A 35 -15.167 -8.786 0.381 1.00 0.00 C ATOM 498 O ALA A 35 -15.714 -9.880 0.458 1.00 0.00 O ATOM 499 CB ALA A 35 -16.393 -6.648 0.847 1.00 0.00 C ATOM 0 H ALA A 35 -14.137 -6.102 1.688 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.947 -8.168 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.318 -7.121 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.616 -5.913 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.919 -6.151 0.001 1.00 0.00 H new ATOM 505 N ARG A 36 -14.282 -8.487 -0.558 1.00 0.00 N ATOM 506 CA ARG A 36 -13.897 -9.443 -1.576 1.00 0.00 C ATOM 507 C ARG A 36 -13.245 -10.677 -0.943 1.00 0.00 C ATOM 508 O ARG A 36 -13.395 -11.793 -1.428 1.00 0.00 O ATOM 509 CB ARG A 36 -12.942 -8.768 -2.547 1.00 0.00 C ATOM 510 CG ARG A 36 -13.652 -8.001 -3.651 1.00 0.00 C ATOM 511 CD ARG A 36 -14.194 -8.929 -4.726 1.00 0.00 C ATOM 512 NE ARG A 36 -13.474 -8.766 -5.986 1.00 0.00 N ATOM 513 CZ ARG A 36 -13.794 -9.381 -7.120 1.00 0.00 C ATOM 514 NH1 ARG A 36 -14.822 -10.207 -7.171 1.00 0.00 N ATOM 515 NH2 ARG A 36 -13.076 -9.162 -8.205 1.00 0.00 N ATOM 0 H ARG A 36 -13.816 -7.583 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.784 -9.779 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.297 -8.084 -1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.296 -9.523 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.471 -7.423 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.961 -7.289 -4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.113 -9.963 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.254 -8.727 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.671 -8.137 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.380 -10.379 -6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.058 -10.673 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.281 -8.524 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.316 -9.631 -9.079 1.00 0.00 H new ATOM 529 N ILE A 37 -12.530 -10.471 0.152 1.00 0.00 N ATOM 530 CA ILE A 37 -11.883 -11.576 0.852 1.00 0.00 C ATOM 531 C ILE A 37 -12.930 -12.512 1.457 1.00 0.00 C ATOM 532 O ILE A 37 -12.812 -13.734 1.354 1.00 0.00 O ATOM 533 CB ILE A 37 -10.920 -11.076 1.957 1.00 0.00 C ATOM 534 CG1 ILE A 37 -9.675 -10.443 1.328 1.00 0.00 C ATOM 535 CG2 ILE A 37 -10.523 -12.218 2.887 1.00 0.00 C ATOM 536 CD1 ILE A 37 -8.575 -10.133 2.322 1.00 0.00 C ATOM 0 H ILE A 37 -12.382 -9.555 0.576 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.292 -12.122 0.117 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.438 -10.320 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.283 -11.116 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.964 -9.522 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.846 -11.843 3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.415 -12.630 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.023 -12.998 2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.728 -9.687 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.948 -9.435 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.256 -11.054 2.811 1.00 0.00 H new ATOM 548 N LEU A 38 -13.959 -11.934 2.079 1.00 0.00 N ATOM 549 CA LEU A 38 -15.032 -12.722 2.689 1.00 0.00 C ATOM 550 C LEU A 38 -16.179 -13.001 1.700 1.00 0.00 C ATOM 551 O LEU A 38 -17.069 -13.801 1.994 1.00 0.00 O ATOM 552 CB LEU A 38 -15.574 -12.007 3.932 1.00 0.00 C ATOM 553 CG LEU A 38 -16.403 -10.749 3.656 1.00 0.00 C ATOM 554 CD1 LEU A 38 -17.870 -11.003 3.952 1.00 0.00 C ATOM 555 CD2 LEU A 38 -15.890 -9.582 4.484 1.00 0.00 C ATOM 0 H LEU A 38 -14.072 -10.925 2.174 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.605 -13.682 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.187 -12.710 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.733 -11.735 4.570 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.302 -10.496 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.444 -10.098 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.234 -11.812 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.987 -11.281 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.490 -8.696 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.962 -9.828 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.849 -9.384 4.228 1.00 0.00 H new ATOM 567 N ALA A 39 -16.155 -12.336 0.536 1.00 0.00 N ATOM 568 CA ALA A 39 -17.190 -12.509 -0.482 1.00 0.00 C ATOM 569 C ALA A 39 -16.703 -12.000 -1.845 1.00 0.00 C ATOM 570 O ALA A 39 -17.271 -11.071 -2.422 1.00 0.00 O ATOM 571 CB ALA A 39 -18.462 -11.784 -0.059 1.00 0.00 C ATOM 0 H ALA A 39 -15.425 -11.672 0.280 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.409 -13.572 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.228 -11.918 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.817 -12.194 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.252 -10.721 0.062 1.00 0.00 H new ATOM 577 N ARG A 40 -15.619 -12.599 -2.328 1.00 0.00 N ATOM 578 CA ARG A 40 -14.997 -12.208 -3.594 1.00 0.00 C ATOM 579 C ARG A 40 -15.978 -12.176 -4.762 1.00 0.00 C ATOM 580 O ARG A 40 -16.200 -11.118 -5.358 1.00 0.00 O ATOM 581 CB ARG A 40 -13.824 -13.137 -3.917 1.00 0.00 C ATOM 582 CG ARG A 40 -12.739 -12.473 -4.752 1.00 0.00 C ATOM 583 CD ARG A 40 -11.573 -13.415 -5.008 1.00 0.00 C ATOM 584 NE ARG A 40 -11.015 -13.948 -3.760 1.00 0.00 N ATOM 585 CZ ARG A 40 -10.130 -14.936 -3.699 1.00 0.00 C ATOM 586 NH1 ARG A 40 -9.667 -15.492 -4.803 1.00 0.00 N ATOM 587 NH2 ARG A 40 -9.705 -15.365 -2.527 1.00 0.00 N ATOM 0 H ARG A 40 -15.145 -13.369 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.636 -11.188 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.387 -13.495 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.198 -14.011 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.160 -12.147 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.380 -11.580 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.905 -14.240 -5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.794 -12.887 -5.558 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.327 -13.533 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.989 -15.163 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.987 -16.250 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.056 -14.938 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.025 -16.124 -2.478 1.00 0.00 H new ATOM 601 N VAL A 41 -16.534 -13.339 -5.086 1.00 0.00 N ATOM 602 CA VAL A 41 -17.482 -13.488 -6.194 1.00 0.00 C ATOM 603 C VAL A 41 -16.771 -13.406 -7.554 1.00 0.00 C ATOM 604 O VAL A 41 -16.693 -14.450 -8.236 1.00 0.00 O ATOM 605 CB VAL A 41 -18.612 -12.435 -6.123 1.00 0.00 C ATOM 606 CG1 VAL A 41 -19.486 -12.484 -7.367 1.00 0.00 C ATOM 607 CG2 VAL A 41 -19.456 -12.636 -4.873 1.00 0.00 C ATOM 608 OXT VAL A 41 -16.295 -12.308 -7.925 1.00 0.00 O ATOM 0 H VAL A 41 -16.342 -14.209 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.930 -14.477 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 41 -18.148 -11.450 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -20.272 -11.733 -7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -18.877 -12.282 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -19.937 -13.473 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -20.245 -11.885 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.902 -13.630 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.826 -12.537 -3.989 1.00 0.00 H new TER 618 VAL A 41