USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 86 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 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.056) USER MOD Single : A 4 MET CE :methyl -128:sc= -0.567 (180deg=-3.16!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= -0.116 (180deg=-0.129) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.177 F(o=-1.8,f=-0.18) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.037 X(o=-0.037,f=-0.22) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.132 (180deg=-0.813) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.720 7.035 5.880 1.00 0.00 N ATOM 2 CA LEU A 1 21.066 7.431 4.613 1.00 0.00 C ATOM 3 C LEU A 1 21.900 7.042 3.371 1.00 0.00 C ATOM 4 O LEU A 1 22.942 7.617 3.067 1.00 0.00 O ATOM 5 CB LEU A 1 20.793 8.942 4.651 1.00 0.00 C ATOM 6 CG LEU A 1 19.586 9.327 3.794 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.274 8.865 4.452 1.00 0.00 C ATOM 8 CD2 LEU A 1 19.568 10.841 3.567 1.00 0.00 C ATOM 0 H1 LEU A 1 21.122 7.318 6.683 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.854 6.004 5.894 1.00 0.00 H new ATOM 0 H3 LEU A 1 22.645 7.505 5.955 1.00 0.00 H new ATOM 0 HA LEU A 1 20.126 6.887 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.621 9.254 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.674 9.479 4.299 1.00 0.00 H new ATOM 0 HG LEU A 1 19.672 8.825 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 1 17.431 9.151 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 1 18.288 7.781 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.172 9.335 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 1 18.706 11.107 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 1 19.504 11.352 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 1 20.482 11.143 3.056 1.00 0.00 H new ATOM 12 N GLN A 2 21.435 5.972 2.735 1.00 0.00 N ATOM 13 CA GLN A 2 22.114 5.344 1.577 1.00 0.00 C ATOM 14 C GLN A 2 21.282 5.462 0.288 1.00 0.00 C ATOM 15 O GLN A 2 20.062 5.514 0.318 1.00 0.00 O ATOM 16 CB GLN A 2 22.408 3.873 1.877 1.00 0.00 C ATOM 17 CG GLN A 2 23.388 3.650 3.036 1.00 0.00 C ATOM 18 CD GLN A 2 24.812 4.125 2.720 1.00 0.00 C ATOM 19 OE1 GLN A 2 25.166 5.292 2.815 1.00 0.00 O ATOM 20 NE2 GLN A 2 25.691 3.216 2.360 1.00 0.00 N ATOM 0 H GLN A 2 20.570 5.502 3.001 1.00 0.00 H new ATOM 0 HA GLN A 2 23.050 5.879 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 2 21.471 3.366 2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 2 22.812 3.405 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.023 4.176 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.412 2.589 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.410 2.239 2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.654 3.488 2.164 1.00 0.00 H new ATOM 24 N ARG A 3 21.973 5.277 -0.832 1.00 0.00 N ATOM 25 CA ARG A 3 21.362 5.360 -2.172 1.00 0.00 C ATOM 26 C ARG A 3 21.413 3.987 -2.856 1.00 0.00 C ATOM 27 O ARG A 3 22.329 3.209 -2.603 1.00 0.00 O ATOM 28 CB ARG A 3 22.139 6.404 -2.963 1.00 0.00 C ATOM 29 CG ARG A 3 21.221 7.206 -3.891 1.00 0.00 C ATOM 30 CD ARG A 3 20.217 8.058 -3.105 1.00 0.00 C ATOM 31 NE ARG A 3 19.958 9.243 -3.928 1.00 0.00 N ATOM 32 CZ ARG A 3 19.036 9.346 -4.887 1.00 0.00 C ATOM 33 NH1 ARG A 3 17.863 8.739 -4.819 1.00 0.00 N ATOM 34 NH2 ARG A 3 19.164 10.341 -5.765 1.00 0.00 N ATOM 0 H ARG A 3 22.971 5.065 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 3 20.313 5.651 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 3 22.644 7.082 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.914 5.913 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.824 7.852 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 3 20.682 6.523 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 3 19.297 7.504 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 3 20.622 8.339 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 3 20.536 10.065 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 3 17.633 8.163 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 3 17.188 8.846 -5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.947 10.991 -5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 3 18.479 10.453 -6.513 1.00 0.00 H new ATOM 41 N MET A 4 20.285 3.640 -3.493 1.00 0.00 N ATOM 42 CA MET A 4 20.030 2.311 -4.105 1.00 0.00 C ATOM 43 C MET A 4 19.943 1.121 -3.134 1.00 0.00 C ATOM 44 O MET A 4 19.629 0.005 -3.523 1.00 0.00 O ATOM 45 CB MET A 4 21.015 1.984 -5.241 1.00 0.00 C ATOM 46 CG MET A 4 20.484 2.288 -6.644 1.00 0.00 C ATOM 47 SD MET A 4 20.591 4.046 -7.182 1.00 0.00 S ATOM 48 CE MET A 4 19.039 4.699 -6.590 1.00 0.00 C ATOM 0 H MET A 4 19.502 4.284 -3.604 1.00 0.00 H new ATOM 0 HA MET A 4 19.026 2.432 -4.511 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.934 2.549 -5.083 1.00 0.00 H new ATOM 0 HB3 MET A 4 21.277 0.927 -5.186 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.033 1.675 -7.360 1.00 0.00 H new ATOM 0 HG3 MET A 4 19.441 1.977 -6.692 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.523 5.207 -7.405 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.418 3.883 -6.220 1.00 0.00 H new ATOM 0 HE3 MET A 4 19.226 5.407 -5.782 1.00 0.00 H new ATOM 50 N LYS A 5 20.069 1.444 -1.856 1.00 0.00 N ATOM 51 CA LYS A 5 20.021 0.463 -0.747 1.00 0.00 C ATOM 52 C LYS A 5 18.857 0.780 0.220 1.00 0.00 C ATOM 53 O LYS A 5 17.955 -0.032 0.403 1.00 0.00 O ATOM 54 CB LYS A 5 21.363 0.489 -0.014 1.00 0.00 C ATOM 55 CG LYS A 5 21.861 -0.911 0.346 1.00 0.00 C ATOM 56 CD LYS A 5 22.607 -1.574 -0.822 1.00 0.00 C ATOM 57 CE LYS A 5 23.189 -2.910 -0.380 1.00 0.00 C ATOM 58 NZ LYS A 5 24.233 -3.346 -1.323 1.00 0.00 N ATOM 0 H LYS A 5 20.210 2.404 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 5 19.844 -0.535 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 5 22.105 0.985 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.265 1.081 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.522 -0.850 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.015 -1.534 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.926 -1.724 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.405 -0.919 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.609 -2.819 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.399 -3.660 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 24.623 -4.258 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 23.821 -3.451 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.993 -2.637 -1.352 1.00 0.00 H new ATOM 63 N GLN A 6 18.789 2.040 0.646 1.00 0.00 N ATOM 64 CA GLN A 6 17.697 2.550 1.498 1.00 0.00 C ATOM 65 C GLN A 6 16.373 2.697 0.740 1.00 0.00 C ATOM 66 O GLN A 6 15.307 2.384 1.265 1.00 0.00 O ATOM 67 CB GLN A 6 18.104 3.877 2.126 1.00 0.00 C ATOM 68 CG GLN A 6 18.293 3.747 3.649 1.00 0.00 C ATOM 69 CD GLN A 6 17.006 4.071 4.401 1.00 0.00 C ATOM 70 OE1 GLN A 6 16.581 5.219 4.482 1.00 0.00 O ATOM 71 NE2 GLN A 6 16.360 3.093 4.985 1.00 0.00 N ATOM 0 H GLN A 6 19.489 2.745 0.413 1.00 0.00 H new ATOM 0 HA GLN A 6 17.527 1.812 2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.031 4.226 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.343 4.629 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.612 2.734 3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.086 4.419 3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.712 2.138 4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.505 3.286 5.506 1.00 0.00 H new ATOM 75 N LEU A 7 16.469 3.005 -0.556 1.00 0.00 N ATOM 76 CA LEU A 7 15.317 3.046 -1.466 1.00 0.00 C ATOM 77 C LEU A 7 14.587 1.692 -1.537 1.00 0.00 C ATOM 78 O LEU A 7 13.407 1.653 -1.218 1.00 0.00 O ATOM 79 CB LEU A 7 15.732 3.541 -2.852 1.00 0.00 C ATOM 80 CG LEU A 7 16.324 4.954 -2.718 1.00 0.00 C ATOM 81 CD1 LEU A 7 17.086 5.328 -3.976 1.00 0.00 C ATOM 82 CD2 LEU A 7 15.253 6.016 -2.492 1.00 0.00 C ATOM 0 H LEU A 7 17.354 3.235 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 7 14.603 3.762 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.466 2.865 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.872 3.554 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 7 16.984 4.927 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.499 6.331 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.897 4.617 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.410 5.306 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.724 6.995 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.561 6.020 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.707 5.793 -1.576 1.00 0.00 H new ATOM 84 N GLU A 8 15.359 0.607 -1.551 1.00 0.00 N ATOM 85 CA GLU A 8 14.805 -0.767 -1.496 1.00 0.00 C ATOM 86 C GLU A 8 14.115 -1.104 -0.157 1.00 0.00 C ATOM 87 O GLU A 8 13.094 -1.799 -0.145 1.00 0.00 O ATOM 88 CB GLU A 8 15.896 -1.789 -1.822 1.00 0.00 C ATOM 89 CG GLU A 8 16.261 -1.705 -3.310 1.00 0.00 C ATOM 90 CD GLU A 8 17.483 -2.545 -3.692 1.00 0.00 C ATOM 91 OE1 GLU A 8 18.310 -2.953 -2.885 1.00 0.00 O ATOM 92 OE2 GLU A 8 17.631 -2.783 -5.010 1.00 0.00 O ATOM 0 H GLU A 8 16.377 0.642 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 8 14.021 -0.817 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.778 -1.600 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.550 -2.794 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.407 -2.031 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.451 -0.664 -3.570 1.00 0.00 H new ATOM 95 N ASP A 9 14.506 -0.388 0.892 1.00 0.00 N ATOM 96 CA ASP A 9 13.891 -0.493 2.231 1.00 0.00 C ATOM 97 C ASP A 9 12.633 0.378 2.374 1.00 0.00 C ATOM 98 O ASP A 9 11.844 0.127 3.278 1.00 0.00 O ATOM 99 CB ASP A 9 14.917 -0.102 3.292 1.00 0.00 C ATOM 100 CG ASP A 9 15.084 -1.215 4.335 1.00 0.00 C ATOM 101 OD1 ASP A 9 14.324 -1.359 5.282 1.00 0.00 O ATOM 102 OD2 ASP A 9 16.176 -1.998 4.187 1.00 0.00 O ATOM 0 H ASP A 9 15.266 0.291 0.847 1.00 0.00 H new ATOM 0 HA ASP A 9 13.579 -1.528 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.876 0.102 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.603 0.818 3.785 1.00 0.00 H new ATOM 105 N LYS A 10 12.519 1.450 1.582 1.00 0.00 N ATOM 106 CA LYS A 10 11.320 2.320 1.579 1.00 0.00 C ATOM 107 C LYS A 10 10.293 1.919 0.503 1.00 0.00 C ATOM 108 O LYS A 10 9.085 1.944 0.752 1.00 0.00 O ATOM 109 CB LYS A 10 11.702 3.818 1.542 1.00 0.00 C ATOM 110 CG LYS A 10 12.163 4.422 0.203 1.00 0.00 C ATOM 111 CD LYS A 10 10.994 4.856 -0.692 1.00 0.00 C ATOM 112 CE LYS A 10 10.912 6.368 -0.876 1.00 0.00 C ATOM 113 NZ LYS A 10 9.683 6.702 -1.611 1.00 0.00 N ATOM 0 H LYS A 10 13.244 1.744 0.928 1.00 0.00 H new ATOM 0 HA LYS A 10 10.807 2.161 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.839 4.389 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.498 3.976 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.802 5.283 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.769 3.690 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.096 4.382 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.060 4.497 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.916 6.865 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.785 6.727 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.581 7.736 -1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.736 6.309 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.862 6.298 -1.117 1.00 0.00 H new ATOM 118 N VAL A 11 10.785 1.445 -0.642 1.00 0.00 N ATOM 119 CA VAL A 11 9.974 0.933 -1.778 1.00 0.00 C ATOM 120 C VAL A 11 9.100 -0.257 -1.344 1.00 0.00 C ATOM 121 O VAL A 11 7.923 -0.309 -1.703 1.00 0.00 O ATOM 122 CB VAL A 11 10.876 0.642 -2.989 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.191 -0.152 -4.113 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.358 1.958 -3.607 1.00 0.00 C ATOM 0 H VAL A 11 11.788 1.400 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 11 9.272 1.702 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 11 11.692 0.037 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.897 -0.313 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.857 -1.115 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.332 0.408 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.997 1.745 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.498 2.544 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.923 2.523 -2.865 1.00 0.00 H new ATOM 126 N GLU A 12 9.641 -1.095 -0.470 1.00 0.00 N ATOM 127 CA GLU A 12 8.882 -2.197 0.154 1.00 0.00 C ATOM 128 C GLU A 12 7.664 -1.707 0.947 1.00 0.00 C ATOM 129 O GLU A 12 6.541 -2.106 0.615 1.00 0.00 O ATOM 130 CB GLU A 12 9.798 -3.051 1.021 1.00 0.00 C ATOM 131 CG GLU A 12 10.398 -4.174 0.177 1.00 0.00 C ATOM 132 CD GLU A 12 11.899 -4.353 0.396 1.00 0.00 C ATOM 133 OE1 GLU A 12 12.648 -4.657 -0.523 1.00 0.00 O ATOM 134 OE2 GLU A 12 12.380 -4.148 1.635 1.00 0.00 O ATOM 0 H GLU A 12 10.613 -1.040 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 12 8.490 -2.813 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.592 -2.436 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.238 -3.470 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.889 -5.109 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.213 -3.967 -0.877 1.00 0.00 H new ATOM 137 N GLU A 13 7.852 -0.658 1.748 1.00 0.00 N ATOM 138 CA GLU A 13 6.752 0.022 2.459 1.00 0.00 C ATOM 139 C GLU A 13 5.704 0.599 1.501 1.00 0.00 C ATOM 140 O GLU A 13 4.519 0.409 1.730 1.00 0.00 O ATOM 141 CB GLU A 13 7.200 1.130 3.416 1.00 0.00 C ATOM 142 CG GLU A 13 7.735 0.601 4.759 1.00 0.00 C ATOM 143 CD GLU A 13 9.208 0.204 4.646 1.00 0.00 C ATOM 144 OE1 GLU A 13 9.553 -0.922 4.286 1.00 0.00 O ATOM 145 OE2 GLU A 13 10.093 1.172 4.913 1.00 0.00 O ATOM 0 H GLU A 13 8.770 -0.250 1.927 1.00 0.00 H new ATOM 0 HA GLU A 13 6.311 -0.774 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.976 1.724 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.359 1.797 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.619 1.366 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.146 -0.260 5.075 1.00 0.00 H new ATOM 148 N LEU A 14 6.153 1.077 0.338 1.00 0.00 N ATOM 149 CA LEU A 14 5.247 1.628 -0.698 1.00 0.00 C ATOM 150 C LEU A 14 4.307 0.543 -1.219 1.00 0.00 C ATOM 151 O LEU A 14 3.106 0.646 -1.019 1.00 0.00 O ATOM 152 CB LEU A 14 5.962 2.261 -1.888 1.00 0.00 C ATOM 153 CG LEU A 14 7.006 3.333 -1.516 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.561 3.919 -2.815 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.456 4.438 -0.621 1.00 0.00 C ATOM 0 H LEU A 14 7.140 1.098 0.081 1.00 0.00 H new ATOM 0 HA LEU A 14 4.695 2.422 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.456 1.474 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.217 2.711 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 14 7.790 2.853 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.304 4.682 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.026 3.127 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.749 4.366 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.247 5.155 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.637 4.946 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.090 4.004 0.310 1.00 0.00 H new ATOM 157 N LEU A 15 4.869 -0.541 -1.754 1.00 0.00 N ATOM 158 CA LEU A 15 4.081 -1.684 -2.275 1.00 0.00 C ATOM 159 C LEU A 15 3.203 -2.305 -1.186 1.00 0.00 C ATOM 160 O LEU A 15 1.987 -2.291 -1.320 1.00 0.00 O ATOM 161 CB LEU A 15 4.962 -2.762 -2.920 1.00 0.00 C ATOM 162 CG LEU A 15 6.079 -2.230 -3.831 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.726 -3.419 -4.534 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.638 -1.188 -4.864 1.00 0.00 C ATOM 0 H LEU A 15 5.878 -0.662 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 15 3.437 -1.275 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.413 -3.361 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.326 -3.429 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 15 6.781 -1.700 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.523 -3.065 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.141 -4.100 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.976 -3.943 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.498 -0.876 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.884 -1.623 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.218 -0.323 -4.351 1.00 0.00 H new ATOM 166 N SER A 16 3.801 -2.621 -0.028 1.00 0.00 N ATOM 167 CA SER A 16 3.059 -3.104 1.164 1.00 0.00 C ATOM 168 C SER A 16 1.904 -2.200 1.601 1.00 0.00 C ATOM 169 O SER A 16 0.877 -2.699 2.049 1.00 0.00 O ATOM 170 CB SER A 16 3.979 -3.320 2.366 1.00 0.00 C ATOM 171 OG SER A 16 4.728 -4.533 2.197 1.00 0.00 O ATOM 0 H SER A 16 4.808 -2.552 0.117 1.00 0.00 H new ATOM 0 HA SER A 16 2.635 -4.052 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.659 -2.474 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.390 -3.371 3.281 1.00 0.00 H new ATOM 0 HG SER A 16 5.316 -4.664 2.970 1.00 0.00 H new ATOM 174 N LYS A 17 2.041 -0.892 1.372 1.00 0.00 N ATOM 175 CA LYS A 17 0.957 0.087 1.601 1.00 0.00 C ATOM 176 C LYS A 17 -0.019 0.184 0.424 1.00 0.00 C ATOM 177 O LYS A 17 -1.209 0.133 0.640 1.00 0.00 O ATOM 178 CB LYS A 17 1.450 1.497 1.923 1.00 0.00 C ATOM 179 CG LYS A 17 2.051 1.597 3.325 1.00 0.00 C ATOM 180 CD LYS A 17 1.927 3.041 3.824 1.00 0.00 C ATOM 181 CE LYS A 17 2.826 3.276 5.027 1.00 0.00 C ATOM 182 NZ LYS A 17 2.054 3.890 6.112 1.00 0.00 N ATOM 0 H LYS A 17 2.903 -0.474 1.023 1.00 0.00 H new ATOM 0 HA LYS A 17 0.443 -0.311 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.198 1.794 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.620 2.198 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.534 0.919 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.098 1.294 3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.195 3.731 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.891 3.250 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.254 2.331 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.658 3.923 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.673 4.049 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.666 4.800 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.274 3.258 6.384 1.00 0.00 H new ATOM 187 N ASN A 18 0.485 0.285 -0.803 1.00 0.00 N ATOM 188 CA ASN A 18 -0.334 0.359 -2.019 1.00 0.00 C ATOM 189 C ASN A 18 -1.225 -0.882 -2.207 1.00 0.00 C ATOM 190 O ASN A 18 -2.431 -0.749 -2.355 1.00 0.00 O ATOM 191 CB ASN A 18 0.526 0.601 -3.264 1.00 0.00 C ATOM 192 CG ASN A 18 -0.216 1.342 -4.392 1.00 0.00 C ATOM 193 OD1 ASN A 18 -1.524 1.407 -4.348 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 0.374 1.792 -5.356 1.00 0.00 N flip ATOM 0 H ASN A 18 1.488 0.319 -0.988 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.996 1.215 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.407 1.177 -2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.880 -0.358 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.392 1.745 -5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.149 2.216 -6.122 1.00 0.00 H new ATOM 198 N TYR A 19 -0.635 -2.063 -2.010 1.00 0.00 N ATOM 199 CA TYR A 19 -1.353 -3.360 -1.988 1.00 0.00 C ATOM 200 C TYR A 19 -2.458 -3.409 -0.909 1.00 0.00 C ATOM 201 O TYR A 19 -3.590 -3.782 -1.194 1.00 0.00 O ATOM 202 CB TYR A 19 -0.347 -4.500 -1.799 1.00 0.00 C ATOM 203 CG TYR A 19 0.360 -4.909 -3.100 1.00 0.00 C ATOM 204 CD1 TYR A 19 1.373 -4.103 -3.665 1.00 0.00 C ATOM 205 CD2 TYR A 19 0.006 -6.154 -3.671 1.00 0.00 C ATOM 206 CE1 TYR A 19 2.047 -4.548 -4.811 1.00 0.00 C ATOM 207 CE2 TYR A 19 0.676 -6.597 -4.825 1.00 0.00 C ATOM 208 CZ TYR A 19 1.685 -5.789 -5.377 1.00 0.00 C ATOM 209 OH TYR A 19 2.338 -6.213 -6.493 1.00 0.00 O ATOM 0 H TYR A 19 0.369 -2.157 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.859 -3.478 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.401 -4.197 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.864 -5.367 -1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.626 -3.153 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.771 -6.758 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.831 -3.951 -5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.420 -7.542 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 19 1.983 -7.084 -6.769 1.00 0.00 H new ATOM 212 N HIS A 20 -2.160 -2.808 0.243 1.00 0.00 N ATOM 213 CA HIS A 20 -3.096 -2.609 1.372 1.00 0.00 C ATOM 214 C HIS A 20 -4.157 -1.515 1.092 1.00 0.00 C ATOM 215 O HIS A 20 -5.316 -1.635 1.468 1.00 0.00 O ATOM 216 CB HIS A 20 -2.203 -2.347 2.586 1.00 0.00 C ATOM 217 CG HIS A 20 -2.773 -1.457 3.692 1.00 0.00 C ATOM 218 ND1 HIS A 20 -3.441 -1.849 4.770 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.715 -0.130 3.705 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.834 -0.769 5.429 1.00 0.00 C ATOM 221 NE2 HIS A 20 -3.395 0.289 4.764 1.00 0.00 N ATOM 0 H HIS A 20 -1.232 -2.430 0.432 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.722 -3.484 1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.941 -3.309 3.027 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.276 -1.896 2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.207 0.494 2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.409 -0.754 6.343 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.553 1.263 5.023 1.00 0.00 H new ATOM 225 N LEU A 21 -3.756 -0.521 0.298 1.00 0.00 N ATOM 226 CA LEU A 21 -4.585 0.617 -0.153 1.00 0.00 C ATOM 227 C LEU A 21 -5.680 0.155 -1.109 1.00 0.00 C ATOM 228 O LEU A 21 -6.844 0.415 -0.833 1.00 0.00 O ATOM 229 CB LEU A 21 -3.669 1.682 -0.786 1.00 0.00 C ATOM 230 CG LEU A 21 -4.414 2.822 -1.487 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.053 3.800 -0.494 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.466 3.557 -2.436 1.00 0.00 C ATOM 0 H LEU A 21 -2.805 -0.478 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.095 1.062 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.032 2.104 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.012 1.196 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.229 2.380 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.569 4.589 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.767 3.267 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.278 4.240 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.002 4.366 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.631 3.968 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.088 2.861 -3.185 1.00 0.00 H new ATOM 234 N GLU A 22 -5.330 -0.694 -2.069 1.00 0.00 N ATOM 235 CA GLU A 22 -6.316 -1.340 -2.974 1.00 0.00 C ATOM 236 C GLU A 22 -7.401 -2.152 -2.237 1.00 0.00 C ATOM 237 O GLU A 22 -8.504 -2.315 -2.736 1.00 0.00 O ATOM 238 CB GLU A 22 -5.610 -2.193 -4.019 1.00 0.00 C ATOM 239 CG GLU A 22 -5.396 -1.382 -5.299 1.00 0.00 C ATOM 240 CD GLU A 22 -3.964 -1.511 -5.818 1.00 0.00 C ATOM 241 OE1 GLU A 22 -3.658 -2.108 -6.840 1.00 0.00 O ATOM 242 OE2 GLU A 22 -3.035 -0.883 -5.087 1.00 0.00 O ATOM 0 H GLU A 22 -4.364 -0.963 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.844 -0.528 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.651 -2.537 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.203 -3.081 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.093 -1.721 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.620 -0.333 -5.107 1.00 0.00 H new ATOM 245 N ASN A 23 -7.055 -2.598 -1.029 1.00 0.00 N ATOM 246 CA ASN A 23 -8.009 -3.272 -0.116 1.00 0.00 C ATOM 247 C ASN A 23 -8.838 -2.288 0.719 1.00 0.00 C ATOM 248 O ASN A 23 -10.064 -2.329 0.653 1.00 0.00 O ATOM 249 CB ASN A 23 -7.258 -4.256 0.793 1.00 0.00 C ATOM 250 CG ASN A 23 -6.894 -5.579 0.096 1.00 0.00 C ATOM 251 OD1 ASN A 23 -6.780 -5.585 -1.214 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 -6.768 -6.615 0.720 1.00 0.00 N flip ATOM 0 H ASN A 23 -6.113 -2.508 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.718 -3.817 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.345 -3.781 1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.872 -4.472 1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.856 -6.612 1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.574 -7.487 0.227 1.00 0.00 H new ATOM 256 N GLU A 24 -8.175 -1.323 1.362 1.00 0.00 N ATOM 257 CA GLU A 24 -8.881 -0.277 2.142 1.00 0.00 C ATOM 258 C GLU A 24 -9.844 0.546 1.266 1.00 0.00 C ATOM 259 O GLU A 24 -11.012 0.635 1.607 1.00 0.00 O ATOM 260 CB GLU A 24 -7.940 0.623 2.964 1.00 0.00 C ATOM 261 CG GLU A 24 -7.189 1.672 2.129 1.00 0.00 C ATOM 262 CD GLU A 24 -6.365 2.669 2.935 1.00 0.00 C ATOM 263 OE1 GLU A 24 -6.465 3.884 2.771 1.00 0.00 O ATOM 264 OE2 GLU A 24 -5.455 2.181 3.791 1.00 0.00 O ATOM 0 H GLU A 24 -7.159 -1.236 1.365 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.483 -0.817 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.521 1.133 3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.213 -0.004 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.527 1.155 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.913 2.223 1.529 1.00 0.00 H new ATOM 267 N VAL A 25 -9.390 0.943 0.074 1.00 0.00 N ATOM 268 CA VAL A 25 -10.171 1.644 -0.965 1.00 0.00 C ATOM 269 C VAL A 25 -11.493 0.918 -1.254 1.00 0.00 C ATOM 270 O VAL A 25 -12.507 1.604 -1.348 1.00 0.00 O ATOM 271 CB VAL A 25 -9.335 1.922 -2.233 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.148 2.411 -3.439 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.321 3.025 -1.930 1.00 0.00 C ATOM 0 H VAL A 25 -8.425 0.780 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.439 2.625 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.881 0.965 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.480 2.581 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.889 1.658 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.654 3.342 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.726 3.227 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.848 3.931 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.665 2.704 -1.121 1.00 0.00 H new ATOM 275 N ALA A 26 -11.508 -0.412 -1.197 1.00 0.00 N ATOM 276 CA ALA A 26 -12.750 -1.186 -1.366 1.00 0.00 C ATOM 277 C ALA A 26 -13.747 -0.933 -0.213 1.00 0.00 C ATOM 278 O ALA A 26 -14.744 -0.238 -0.428 1.00 0.00 O ATOM 279 CB ALA A 26 -12.405 -2.673 -1.513 1.00 0.00 C ATOM 0 H ALA A 26 -10.678 -0.982 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.252 -0.853 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.322 -3.249 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.766 -2.814 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.881 -3.015 -0.620 1.00 0.00 H new ATOM 281 N ARG A 27 -13.358 -1.290 1.013 1.00 0.00 N ATOM 282 CA ARG A 27 -14.149 -1.001 2.238 1.00 0.00 C ATOM 283 C ARG A 27 -14.465 0.489 2.465 1.00 0.00 C ATOM 284 O ARG A 27 -15.479 0.836 3.064 1.00 0.00 O ATOM 285 CB ARG A 27 -13.472 -1.601 3.477 1.00 0.00 C ATOM 286 CG ARG A 27 -13.659 -3.121 3.491 1.00 0.00 C ATOM 287 CD ARG A 27 -12.356 -3.847 3.823 1.00 0.00 C ATOM 288 NE ARG A 27 -12.346 -4.295 5.231 1.00 0.00 N ATOM 289 CZ ARG A 27 -12.152 -5.549 5.649 1.00 0.00 C ATOM 290 NH1 ARG A 27 -11.822 -6.531 4.820 1.00 0.00 N ATOM 291 NH2 ARG A 27 -12.449 -5.885 6.897 1.00 0.00 N ATOM 0 H ARG A 27 -12.487 -1.788 1.197 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.114 -1.481 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.410 -1.357 3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.898 -1.166 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -14.421 -3.387 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -14.023 -3.452 2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.235 -4.706 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.510 -3.185 3.642 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.501 -3.585 5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.708 -6.341 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.683 -7.476 5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.825 -5.186 7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.301 -6.842 7.216 1.00 0.00 H new ATOM 298 N LEU A 28 -13.598 1.359 1.945 1.00 0.00 N ATOM 299 CA LEU A 28 -13.768 2.821 1.882 1.00 0.00 C ATOM 300 C LEU A 28 -14.807 3.262 0.843 1.00 0.00 C ATOM 301 O LEU A 28 -15.770 3.945 1.186 1.00 0.00 O ATOM 302 CB LEU A 28 -12.376 3.434 1.649 1.00 0.00 C ATOM 303 CG LEU A 28 -12.358 4.826 0.995 1.00 0.00 C ATOM 304 CD1 LEU A 28 -12.866 5.906 1.955 1.00 0.00 C ATOM 305 CD2 LEU A 28 -10.953 5.173 0.510 1.00 0.00 C ATOM 0 H LEU A 28 -12.715 1.054 1.536 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.178 3.188 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.863 3.498 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.800 2.752 1.024 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.031 4.794 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.839 6.876 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.890 5.678 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.231 5.934 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.961 6.161 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.265 5.171 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.628 4.434 -0.223 1.00 0.00 H new ATOM 307 N LYS A 29 -14.629 2.880 -0.419 1.00 0.00 N ATOM 308 CA LYS A 29 -15.532 3.241 -1.527 1.00 0.00 C ATOM 309 C LYS A 29 -16.964 2.706 -1.295 1.00 0.00 C ATOM 310 O LYS A 29 -17.941 3.363 -1.649 1.00 0.00 O ATOM 311 CB LYS A 29 -14.918 2.722 -2.828 1.00 0.00 C ATOM 312 CG LYS A 29 -15.368 3.528 -4.034 1.00 0.00 C ATOM 313 CD LYS A 29 -14.175 3.782 -4.953 1.00 0.00 C ATOM 314 CE LYS A 29 -14.618 4.542 -6.212 1.00 0.00 C ATOM 315 NZ LYS A 29 -13.749 5.702 -6.433 1.00 0.00 N ATOM 0 H LYS A 29 -13.842 2.301 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.634 4.325 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.831 2.757 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.195 1.677 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.148 2.990 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.799 4.475 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.416 4.357 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.718 2.834 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.581 3.880 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.652 4.868 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.057 6.209 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.805 6.339 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.767 5.382 -6.556 1.00 0.00 H new ATOM 320 N LYS A 30 -17.026 1.635 -0.497 1.00 0.00 N ATOM 321 CA LYS A 30 -18.255 1.087 0.116 1.00 0.00 C ATOM 322 C LYS A 30 -19.087 2.145 0.871 1.00 0.00 C ATOM 323 O LYS A 30 -20.313 2.136 0.839 1.00 0.00 O ATOM 324 CB LYS A 30 -17.768 -0.052 1.015 1.00 0.00 C ATOM 325 CG LYS A 30 -18.679 -0.355 2.208 1.00 0.00 C ATOM 326 CD LYS A 30 -18.058 -1.234 3.295 1.00 0.00 C ATOM 327 CE LYS A 30 -19.043 -1.383 4.456 1.00 0.00 C ATOM 328 NZ LYS A 30 -19.413 -0.061 5.005 1.00 0.00 N ATOM 0 H LYS A 30 -16.194 1.101 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.953 0.730 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.667 -0.955 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.774 0.196 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.987 0.589 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.582 -0.843 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.809 -2.214 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.127 -0.790 3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.938 -1.903 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.598 -1.995 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.759 -0.174 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.580 0.561 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.161 0.361 4.419 1.00 0.00 H new ATOM 333 N LEU A 31 -18.425 3.086 1.530 1.00 0.00 N ATOM 334 CA LEU A 31 -19.067 4.204 2.255 1.00 0.00 C ATOM 335 C LEU A 31 -20.022 4.990 1.340 1.00 0.00 C ATOM 336 O LEU A 31 -21.207 5.079 1.654 1.00 0.00 O ATOM 337 CB LEU A 31 -17.987 5.133 2.831 1.00 0.00 C ATOM 338 CG LEU A 31 -17.333 4.689 4.153 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.002 3.196 4.289 1.00 0.00 C ATOM 340 CD2 LEU A 31 -16.022 5.461 4.310 1.00 0.00 C ATOM 0 H LEU A 31 -17.407 3.105 1.584 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.660 3.791 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.202 5.248 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.429 6.118 2.983 1.00 0.00 H new ATOM 0 HG LEU A 31 -18.079 4.896 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.547 3.011 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.917 2.611 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -16.307 2.904 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.535 5.166 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.365 5.237 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.230 6.531 4.332 1.00 0.00 H new ATOM 342 N VAL A 32 -19.585 5.194 0.109 1.00 0.00 N ATOM 343 CA VAL A 32 -20.377 5.868 -0.946 1.00 0.00 C ATOM 344 C VAL A 32 -21.117 4.832 -1.852 1.00 0.00 C ATOM 345 O VAL A 32 -21.644 5.162 -2.913 1.00 0.00 O ATOM 346 CB VAL A 32 -19.509 6.833 -1.795 1.00 0.00 C ATOM 347 CG1 VAL A 32 -20.388 7.895 -2.465 1.00 0.00 C ATOM 348 CG2 VAL A 32 -18.401 7.557 -1.019 1.00 0.00 C ATOM 0 H VAL A 32 -18.661 4.898 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.132 6.471 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.021 6.189 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -19.763 8.564 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -21.115 7.408 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -20.911 8.469 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.849 8.208 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -18.845 8.154 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -17.721 6.823 -0.586 1.00 0.00 H new ATOM 350 N GLY A 33 -21.218 3.604 -1.350 1.00 0.00 N ATOM 351 CA GLY A 33 -21.924 2.469 -1.990 1.00 0.00 C ATOM 352 C GLY A 33 -23.145 1.987 -1.197 1.00 0.00 C ATOM 353 O GLY A 33 -24.075 1.419 -1.758 1.00 0.00 O ATOM 0 H GLY A 33 -20.800 3.350 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.243 2.766 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.228 1.639 -2.111 1.00 0.00 H new ATOM 355 N GLU A 34 -23.100 2.169 0.124 1.00 0.00 N ATOM 356 CA GLU A 34 -24.188 1.814 1.063 1.00 0.00 C ATOM 357 C GLU A 34 -24.337 2.808 2.223 1.00 0.00 C ATOM 358 O GLU A 34 -24.243 2.484 3.409 1.00 0.00 O ATOM 359 CB GLU A 34 -24.051 0.349 1.536 1.00 0.00 C ATOM 360 CG GLU A 34 -22.691 0.009 2.157 1.00 0.00 C ATOM 361 CD GLU A 34 -21.981 -1.048 1.313 1.00 0.00 C ATOM 362 OE1 GLU A 34 -22.188 -2.247 1.449 1.00 0.00 O ATOM 363 OE2 GLU A 34 -21.133 -0.610 0.357 1.00 0.00 O ATOM 0 H GLU A 34 -22.290 2.577 0.591 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.125 1.892 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -24.833 0.141 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.225 -0.312 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -22.077 0.907 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -22.828 -0.358 3.174 1.00 0.00 H new ATOM 366 N ARG A 35 -24.608 4.044 1.839 1.00 0.00 N ATOM 367 CA ARG A 35 -24.790 5.168 2.789 1.00 0.00 C ATOM 368 C ARG A 35 -26.012 4.986 3.710 1.00 0.00 C ATOM 369 O ARG A 35 -26.992 4.348 3.244 1.00 0.00 O ATOM 370 CB ARG A 35 -24.928 6.489 2.029 1.00 0.00 C ATOM 371 CG ARG A 35 -23.831 6.722 0.977 1.00 0.00 C ATOM 372 CD ARG A 35 -23.323 8.165 0.919 1.00 0.00 C ATOM 373 NE ARG A 35 -24.386 9.126 0.598 1.00 0.00 N ATOM 374 CZ ARG A 35 -24.903 9.977 1.479 1.00 0.00 C ATOM 375 NH1 ARG A 35 -25.916 9.624 2.255 1.00 0.00 N ATOM 376 NH2 ARG A 35 -24.451 11.218 1.548 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.988 5.551 4.825 1.00 0.00 O ATOM 0 H ARG A 35 -24.712 4.314 0.861 1.00 0.00 H new ATOM 0 HA ARG A 35 -23.901 5.183 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.900 6.513 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.912 7.311 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.991 6.060 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -24.217 6.443 -0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.878 8.428 1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -22.534 8.239 0.171 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.748 9.141 -0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -26.312 8.687 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -26.301 10.289 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -23.704 11.524 0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.849 11.869 2.225 1.00 0.00 H new TER 384 ARG A 35