USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=4 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 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -133:sc= -0.0739 (180deg=-0.962) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 123:sc= 0.322 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -0.0109 (180deg=-0.195) USER MOD Single : A 18 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.069) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 24.315 8.801 0.215 1.00 0.00 N ATOM 2 CA LEU A 1 24.193 7.755 1.255 1.00 0.00 C ATOM 3 C LEU A 1 23.384 6.556 0.722 1.00 0.00 C ATOM 4 O LEU A 1 22.200 6.712 0.413 1.00 0.00 O ATOM 5 CB LEU A 1 23.515 8.349 2.499 1.00 0.00 C ATOM 6 CG LEU A 1 23.305 7.316 3.613 1.00 0.00 C ATOM 7 CD1 LEU A 1 24.615 6.940 4.314 1.00 0.00 C ATOM 8 CD2 LEU A 1 22.252 7.823 4.612 1.00 0.00 C ATOM 0 H1 LEU A 1 24.863 9.601 0.590 1.00 0.00 H new ATOM 0 H2 LEU A 1 24.801 8.409 -0.617 1.00 0.00 H new ATOM 0 H3 LEU A 1 23.367 9.129 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 1 25.188 7.400 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 1 24.122 9.170 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 1 22.551 8.771 2.215 1.00 0.00 H new ATOM 0 HG LEU A 1 22.934 6.400 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 1 24.413 6.206 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 1 25.308 6.515 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 1 25.058 7.831 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 1 22.110 7.082 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 1 22.591 8.761 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.307 7.986 4.093 1.00 0.00 H new ATOM 12 N GLN A 2 24.094 5.460 0.485 1.00 0.00 N ATOM 13 CA GLN A 2 23.564 4.218 -0.129 1.00 0.00 C ATOM 14 C GLN A 2 22.712 4.535 -1.391 1.00 0.00 C ATOM 15 O GLN A 2 22.836 5.608 -1.977 1.00 0.00 O ATOM 16 CB GLN A 2 22.804 3.451 0.960 1.00 0.00 C ATOM 17 CG GLN A 2 23.158 1.974 1.095 1.00 0.00 C ATOM 18 CD GLN A 2 23.713 1.706 2.500 1.00 0.00 C ATOM 19 OE1 GLN A 2 24.883 1.932 2.779 1.00 0.00 O ATOM 20 NE2 GLN A 2 22.878 1.287 3.417 1.00 0.00 N ATOM 0 H GLN A 2 25.085 5.394 0.716 1.00 0.00 H new ATOM 0 HA GLN A 2 24.370 3.583 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 2 22.987 3.939 1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 2 21.736 3.533 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 2 22.275 1.360 0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.895 1.696 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 2 21.905 1.102 3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.201 1.146 4.374 1.00 0.00 H new ATOM 24 N ARG A 3 21.935 3.563 -1.848 1.00 0.00 N ATOM 25 CA ARG A 3 21.134 3.687 -3.085 1.00 0.00 C ATOM 26 C ARG A 3 19.818 2.911 -2.966 1.00 0.00 C ATOM 27 O ARG A 3 19.279 2.780 -1.867 1.00 0.00 O ATOM 28 CB ARG A 3 21.998 3.192 -4.250 1.00 0.00 C ATOM 29 CG ARG A 3 22.886 4.264 -4.903 1.00 0.00 C ATOM 30 CD ARG A 3 23.930 3.605 -5.814 1.00 0.00 C ATOM 31 NE ARG A 3 25.091 3.225 -4.993 1.00 0.00 N ATOM 32 CZ ARG A 3 25.153 2.163 -4.189 1.00 0.00 C ATOM 33 NH1 ARG A 3 25.194 0.931 -4.684 1.00 0.00 N ATOM 34 NH2 ARG A 3 25.670 2.342 -2.980 1.00 0.00 N ATOM 0 H ARG A 3 21.833 2.662 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 3 20.854 4.726 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 3 22.635 2.383 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.344 2.769 -5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 3 22.271 4.953 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 3 23.385 4.852 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.507 2.727 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.233 4.293 -6.603 1.00 0.00 H new ATOM 0 HE ARG A 3 25.916 3.823 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 3 25.178 0.786 -5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 3 25.241 0.130 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.001 3.265 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 3 25.737 1.557 -2.332 1.00 0.00 H new ATOM 41 N MET A 4 19.370 2.349 -4.083 1.00 0.00 N ATOM 42 CA MET A 4 18.275 1.355 -4.173 1.00 0.00 C ATOM 43 C MET A 4 18.318 0.310 -3.055 1.00 0.00 C ATOM 44 O MET A 4 17.279 0.068 -2.481 1.00 0.00 O ATOM 45 CB MET A 4 18.273 0.674 -5.542 1.00 0.00 C ATOM 46 CG MET A 4 17.966 1.645 -6.694 1.00 0.00 C ATOM 47 SD MET A 4 16.372 2.525 -6.550 1.00 0.00 S ATOM 48 CE MET A 4 16.903 4.107 -5.920 1.00 0.00 C ATOM 0 H MET A 4 19.768 2.574 -4.995 1.00 0.00 H new ATOM 0 HA MET A 4 17.345 1.910 -4.046 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.245 0.211 -5.713 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.534 -0.127 -5.542 1.00 0.00 H new ATOM 0 HG2 MET A 4 18.767 2.381 -6.753 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.974 1.089 -7.631 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.269 4.396 -5.081 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.938 4.037 -5.585 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.826 4.857 -6.708 1.00 0.00 H new ATOM 50 N LYS A 5 19.492 0.019 -2.527 1.00 0.00 N ATOM 51 CA LYS A 5 19.667 -0.896 -1.378 1.00 0.00 C ATOM 52 C LYS A 5 18.966 -0.405 -0.084 1.00 0.00 C ATOM 53 O LYS A 5 18.093 -1.099 0.425 1.00 0.00 O ATOM 54 CB LYS A 5 21.165 -1.173 -1.181 1.00 0.00 C ATOM 55 CG LYS A 5 21.927 -1.527 -2.487 1.00 0.00 C ATOM 56 CD LYS A 5 21.252 -2.608 -3.341 1.00 0.00 C ATOM 57 CE LYS A 5 22.072 -3.038 -4.561 1.00 0.00 C ATOM 58 NZ LYS A 5 22.215 -1.998 -5.590 1.00 0.00 N ATOM 0 H LYS A 5 20.369 0.407 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 5 19.163 -1.835 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.629 -0.295 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.281 -1.994 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.036 -0.623 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.932 -1.861 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.060 -3.482 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.284 -2.238 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.064 -3.343 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.603 -3.914 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.782 -2.367 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.274 -1.722 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.690 -1.168 -5.181 1.00 0.00 H new ATOM 63 N GLN A 6 19.180 0.858 0.302 1.00 0.00 N ATOM 64 CA GLN A 6 18.460 1.486 1.447 1.00 0.00 C ATOM 65 C GLN A 6 17.051 1.977 1.036 1.00 0.00 C ATOM 66 O GLN A 6 16.066 1.705 1.714 1.00 0.00 O ATOM 67 CB GLN A 6 19.238 2.636 2.113 1.00 0.00 C ATOM 68 CG GLN A 6 19.343 3.897 1.245 1.00 0.00 C ATOM 69 CD GLN A 6 19.936 5.128 1.926 1.00 0.00 C ATOM 70 OE1 GLN A 6 20.721 5.080 2.853 1.00 0.00 O ATOM 71 NE2 GLN A 6 19.593 6.279 1.393 1.00 0.00 N ATOM 0 H GLN A 6 19.847 1.479 -0.156 1.00 0.00 H new ATOM 0 HA GLN A 6 18.364 0.693 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.752 2.894 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 6 20.242 2.289 2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.949 3.663 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.346 4.150 0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 6 18.933 6.305 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 6 19.987 7.147 1.757 1.00 0.00 H new ATOM 75 N LEU A 7 16.992 2.596 -0.141 1.00 0.00 N ATOM 76 CA LEU A 7 15.770 3.153 -0.735 1.00 0.00 C ATOM 77 C LEU A 7 14.747 2.053 -1.052 1.00 0.00 C ATOM 78 O LEU A 7 13.565 2.344 -1.125 1.00 0.00 O ATOM 79 CB LEU A 7 16.091 3.980 -1.986 1.00 0.00 C ATOM 80 CG LEU A 7 17.025 5.160 -1.657 1.00 0.00 C ATOM 81 CD1 LEU A 7 17.638 5.764 -2.914 1.00 0.00 C ATOM 82 CD2 LEU A 7 16.308 6.279 -0.900 1.00 0.00 C ATOM 0 H LEU A 7 17.815 2.730 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 7 15.322 3.818 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.559 3.342 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.166 4.357 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 7 17.807 4.739 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.290 6.593 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.219 5.004 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.845 6.128 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.011 7.086 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.486 6.660 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.915 5.889 0.039 1.00 0.00 H new ATOM 84 N GLU A 8 15.201 0.801 -1.091 1.00 0.00 N ATOM 85 CA GLU A 8 14.378 -0.418 -1.176 1.00 0.00 C ATOM 86 C GLU A 8 13.410 -0.468 -0.002 1.00 0.00 C ATOM 87 O GLU A 8 12.233 -0.314 -0.269 1.00 0.00 O ATOM 88 CB GLU A 8 15.228 -1.702 -1.159 1.00 0.00 C ATOM 89 CG GLU A 8 15.421 -2.333 -2.539 1.00 0.00 C ATOM 90 CD GLU A 8 14.228 -3.153 -3.021 1.00 0.00 C ATOM 91 OE1 GLU A 8 13.460 -3.743 -2.253 1.00 0.00 O ATOM 92 OE2 GLU A 8 14.070 -3.267 -4.350 1.00 0.00 O ATOM 0 H GLU A 8 16.199 0.593 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 8 13.842 -0.374 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.206 -1.474 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.756 -2.430 -0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.622 -1.543 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.302 -2.974 -2.514 1.00 0.00 H new ATOM 95 N ASP A 9 13.932 -0.268 1.200 1.00 0.00 N ATOM 96 CA ASP A 9 13.087 -0.223 2.414 1.00 0.00 C ATOM 97 C ASP A 9 12.029 0.911 2.334 1.00 0.00 C ATOM 98 O ASP A 9 10.859 0.632 2.571 1.00 0.00 O ATOM 99 CB ASP A 9 13.953 -0.151 3.669 1.00 0.00 C ATOM 100 CG ASP A 9 13.090 -0.225 4.931 1.00 0.00 C ATOM 101 OD1 ASP A 9 12.481 -1.232 5.270 1.00 0.00 O ATOM 102 OD2 ASP A 9 13.021 0.914 5.643 1.00 0.00 O ATOM 0 H ASP A 9 14.928 -0.134 1.374 1.00 0.00 H new ATOM 0 HA ASP A 9 12.519 -1.151 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.673 -0.970 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.525 0.777 3.668 1.00 0.00 H new ATOM 105 N LYS A 10 12.404 2.024 1.719 1.00 0.00 N ATOM 106 CA LYS A 10 11.495 3.169 1.455 1.00 0.00 C ATOM 107 C LYS A 10 10.456 2.901 0.337 1.00 0.00 C ATOM 108 O LYS A 10 9.253 3.054 0.535 1.00 0.00 O ATOM 109 CB LYS A 10 12.359 4.416 1.217 1.00 0.00 C ATOM 110 CG LYS A 10 11.576 5.623 0.688 1.00 0.00 C ATOM 111 CD LYS A 10 12.288 6.945 0.964 1.00 0.00 C ATOM 112 CE LYS A 10 11.595 8.107 0.258 1.00 0.00 C ATOM 113 NZ LYS A 10 12.035 8.177 -1.143 1.00 0.00 N ATOM 0 H LYS A 10 13.354 2.175 1.380 1.00 0.00 H new ATOM 0 HA LYS A 10 10.865 3.334 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.846 4.693 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.149 4.169 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.425 5.512 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.588 5.642 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.311 7.131 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.323 6.879 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.514 7.978 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.825 9.043 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.559 8.971 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.064 8.321 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.793 7.289 -1.628 1.00 0.00 H new ATOM 118 N VAL A 11 10.938 2.480 -0.827 1.00 0.00 N ATOM 119 CA VAL A 11 10.129 2.140 -2.019 1.00 0.00 C ATOM 120 C VAL A 11 9.233 0.902 -1.790 1.00 0.00 C ATOM 121 O VAL A 11 8.035 0.945 -2.044 1.00 0.00 O ATOM 122 CB VAL A 11 11.077 1.981 -3.235 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.400 1.384 -4.484 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.658 3.344 -3.632 1.00 0.00 C ATOM 0 H VAL A 11 11.938 2.358 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 11 9.432 2.953 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 11 11.850 1.286 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.129 1.305 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.011 0.394 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.581 2.031 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.323 3.221 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.847 4.022 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.218 3.759 -2.794 1.00 0.00 H new ATOM 126 N GLU A 12 9.797 -0.169 -1.236 1.00 0.00 N ATOM 127 CA GLU A 12 9.034 -1.380 -0.864 1.00 0.00 C ATOM 128 C GLU A 12 7.979 -1.071 0.220 1.00 0.00 C ATOM 129 O GLU A 12 6.882 -1.613 0.158 1.00 0.00 O ATOM 130 CB GLU A 12 9.923 -2.577 -0.512 1.00 0.00 C ATOM 131 CG GLU A 12 10.563 -2.641 0.894 1.00 0.00 C ATOM 132 CD GLU A 12 9.611 -3.022 2.021 1.00 0.00 C ATOM 133 OE1 GLU A 12 8.552 -3.614 1.856 1.00 0.00 O ATOM 134 OE2 GLU A 12 9.963 -2.644 3.269 1.00 0.00 O ATOM 0 H GLU A 12 10.794 -0.232 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 12 8.492 -1.692 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.328 -3.481 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.730 -2.616 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.381 -3.361 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.000 -1.669 1.122 1.00 0.00 H new ATOM 137 N GLU A 13 8.274 -0.079 1.067 1.00 0.00 N ATOM 138 CA GLU A 13 7.312 0.444 2.065 1.00 0.00 C ATOM 139 C GLU A 13 6.030 0.982 1.417 1.00 0.00 C ATOM 140 O GLU A 13 4.969 0.888 2.023 1.00 0.00 O ATOM 141 CB GLU A 13 7.949 1.530 2.934 1.00 0.00 C ATOM 142 CG GLU A 13 8.196 1.018 4.355 1.00 0.00 C ATOM 143 CD GLU A 13 9.341 1.752 5.057 1.00 0.00 C ATOM 144 OE1 GLU A 13 10.301 1.149 5.531 1.00 0.00 O ATOM 145 OE2 GLU A 13 9.226 3.085 5.232 1.00 0.00 O ATOM 0 H GLU A 13 9.181 0.388 1.087 1.00 0.00 H new ATOM 0 HA GLU A 13 7.037 -0.401 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.891 1.850 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.298 2.404 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.284 1.131 4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.421 -0.048 4.319 1.00 0.00 H new ATOM 148 N LEU A 14 6.132 1.358 0.142 1.00 0.00 N ATOM 149 CA LEU A 14 4.962 1.771 -0.662 1.00 0.00 C ATOM 150 C LEU A 14 4.140 0.533 -1.036 1.00 0.00 C ATOM 151 O LEU A 14 3.062 0.392 -0.494 1.00 0.00 O ATOM 152 CB LEU A 14 5.318 2.550 -1.929 1.00 0.00 C ATOM 153 CG LEU A 14 6.268 3.732 -1.682 1.00 0.00 C ATOM 154 CD1 LEU A 14 6.453 4.474 -3.006 1.00 0.00 C ATOM 155 CD2 LEU A 14 5.805 4.701 -0.589 1.00 0.00 C ATOM 0 H LEU A 14 7.016 1.388 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 14 4.386 2.454 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.778 1.870 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.401 2.922 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 14 7.208 3.322 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.125 5.320 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.879 3.797 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.487 4.835 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.534 5.504 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.838 5.123 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.712 4.166 0.356 1.00 0.00 H new ATOM 157 N LEU A 15 4.700 -0.425 -1.765 1.00 0.00 N ATOM 158 CA LEU A 15 3.981 -1.658 -2.164 1.00 0.00 C ATOM 159 C LEU A 15 3.345 -2.403 -0.967 1.00 0.00 C ATOM 160 O LEU A 15 2.134 -2.613 -0.993 1.00 0.00 O ATOM 161 CB LEU A 15 4.867 -2.622 -2.960 1.00 0.00 C ATOM 162 CG LEU A 15 5.744 -1.943 -4.024 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.444 -3.020 -4.826 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.988 -1.001 -4.973 1.00 0.00 C ATOM 0 H LEU A 15 5.662 -0.382 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 15 3.175 -1.313 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.511 -3.162 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.232 -3.362 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 15 6.450 -1.308 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.072 -2.557 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.064 -3.623 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.701 -3.656 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.687 -0.568 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.222 -1.562 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.518 -0.204 -4.397 1.00 0.00 H new ATOM 166 N SER A 16 4.094 -2.534 0.128 1.00 0.00 N ATOM 167 CA SER A 16 3.598 -3.091 1.416 1.00 0.00 C ATOM 168 C SER A 16 2.252 -2.499 1.868 1.00 0.00 C ATOM 169 O SER A 16 1.331 -3.224 2.241 1.00 0.00 O ATOM 170 CB SER A 16 4.615 -2.861 2.536 1.00 0.00 C ATOM 171 OG SER A 16 5.758 -3.662 2.248 1.00 0.00 O ATOM 0 H SER A 16 5.075 -2.257 0.160 1.00 0.00 H new ATOM 0 HA SER A 16 3.454 -4.155 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.890 -1.808 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.190 -3.133 3.502 1.00 0.00 H new ATOM 0 HG SER A 16 6.554 -3.092 2.204 1.00 0.00 H new ATOM 174 N LYS A 17 2.134 -1.191 1.690 1.00 0.00 N ATOM 175 CA LYS A 17 0.895 -0.456 1.971 1.00 0.00 C ATOM 176 C LYS A 17 -0.038 -0.292 0.760 1.00 0.00 C ATOM 177 O LYS A 17 -1.235 -0.535 0.859 1.00 0.00 O ATOM 178 CB LYS A 17 1.175 0.871 2.700 1.00 0.00 C ATOM 179 CG LYS A 17 2.034 1.863 1.919 1.00 0.00 C ATOM 180 CD LYS A 17 1.898 3.324 2.377 1.00 0.00 C ATOM 181 CE LYS A 17 0.465 3.863 2.310 1.00 0.00 C ATOM 182 NZ LYS A 17 -0.197 3.499 1.040 1.00 0.00 N ATOM 0 H LYS A 17 2.893 -0.602 1.346 1.00 0.00 H new ATOM 0 HA LYS A 17 0.328 -1.088 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.223 1.346 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.668 0.652 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.079 1.565 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.770 1.800 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.261 3.409 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.541 3.950 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.112 3.469 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.479 4.948 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.103 4.004 0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.415 3.762 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.370 2.474 1.020 1.00 0.00 H new ATOM 187 N ASN A 18 0.507 -0.052 -0.429 1.00 0.00 N ATOM 188 CA ASN A 18 -0.243 0.018 -1.700 1.00 0.00 C ATOM 189 C ASN A 18 -1.069 -1.254 -1.981 1.00 0.00 C ATOM 190 O ASN A 18 -2.187 -1.173 -2.486 1.00 0.00 O ATOM 191 CB ASN A 18 0.711 0.324 -2.860 1.00 0.00 C ATOM 192 CG ASN A 18 0.095 1.169 -3.975 1.00 0.00 C ATOM 193 OD1 ASN A 18 0.765 1.954 -4.630 1.00 0.00 O ATOM 194 ND2 ASN A 18 -1.184 1.022 -4.231 1.00 0.00 N ATOM 0 H ASN A 18 1.508 0.105 -0.549 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.962 0.831 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.586 0.843 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.062 -0.617 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.620 1.563 -4.977 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.742 0.367 -3.683 1.00 0.00 H new ATOM 198 N TYR A 19 -0.538 -2.398 -1.532 1.00 0.00 N ATOM 199 CA TYR A 19 -1.222 -3.704 -1.532 1.00 0.00 C ATOM 200 C TYR A 19 -2.458 -3.740 -0.603 1.00 0.00 C ATOM 201 O TYR A 19 -3.561 -3.996 -1.090 1.00 0.00 O ATOM 202 CB TYR A 19 -0.238 -4.834 -1.187 1.00 0.00 C ATOM 203 CG TYR A 19 0.640 -5.267 -2.374 1.00 0.00 C ATOM 204 CD1 TYR A 19 0.035 -5.575 -3.609 1.00 0.00 C ATOM 205 CD2 TYR A 19 2.026 -5.428 -2.173 1.00 0.00 C ATOM 206 CE1 TYR A 19 0.830 -6.047 -4.674 1.00 0.00 C ATOM 207 CE2 TYR A 19 2.833 -5.897 -3.234 1.00 0.00 C ATOM 208 CZ TYR A 19 2.218 -6.201 -4.467 1.00 0.00 C ATOM 209 OH TYR A 19 2.989 -6.636 -5.497 1.00 0.00 O ATOM 0 H TYR A 19 0.405 -2.446 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.596 -3.861 -2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.405 -4.508 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.799 -5.696 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.030 -5.450 -3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.468 -5.195 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.386 -6.286 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.898 -6.020 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 19 3.923 -6.692 -5.206 1.00 0.00 H new ATOM 212 N HIS A 20 -2.304 -3.234 0.622 1.00 0.00 N ATOM 213 CA HIS A 20 -3.437 -3.117 1.561 1.00 0.00 C ATOM 214 C HIS A 20 -4.403 -1.963 1.214 1.00 0.00 C ATOM 215 O HIS A 20 -5.571 -1.952 1.600 1.00 0.00 O ATOM 216 CB HIS A 20 -2.973 -3.074 3.039 1.00 0.00 C ATOM 217 CG HIS A 20 -2.280 -1.809 3.582 1.00 0.00 C ATOM 218 ND1 HIS A 20 -1.329 -1.805 4.510 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.661 -0.538 3.421 1.00 0.00 C ATOM 220 CE1 HIS A 20 -1.128 -0.567 4.925 1.00 0.00 C ATOM 221 NE2 HIS A 20 -1.918 0.225 4.205 1.00 0.00 N ATOM 0 H HIS A 20 -1.414 -2.899 0.992 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.017 -4.032 1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.849 -3.259 3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.291 -3.911 3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.444 -0.192 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.448 -0.256 5.704 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.946 1.244 4.250 1.00 0.00 H new ATOM 225 N LEU A 21 -3.890 -1.035 0.399 1.00 0.00 N ATOM 226 CA LEU A 21 -4.625 0.142 -0.111 1.00 0.00 C ATOM 227 C LEU A 21 -5.751 -0.275 -1.061 1.00 0.00 C ATOM 228 O LEU A 21 -6.897 0.053 -0.794 1.00 0.00 O ATOM 229 CB LEU A 21 -3.639 1.117 -0.764 1.00 0.00 C ATOM 230 CG LEU A 21 -4.311 2.325 -1.436 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.852 3.325 -0.407 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.337 3.005 -2.389 1.00 0.00 C ATOM 0 H LEU A 21 -2.928 -1.077 0.063 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.106 0.655 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.943 1.476 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.051 0.580 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.165 1.956 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.319 4.163 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.591 2.832 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.032 3.691 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.824 3.859 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.463 3.346 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.025 2.297 -3.157 1.00 0.00 H new ATOM 234 N GLU A 22 -5.438 -1.189 -1.973 1.00 0.00 N ATOM 235 CA GLU A 22 -6.455 -1.750 -2.899 1.00 0.00 C ATOM 236 C GLU A 22 -7.595 -2.500 -2.193 1.00 0.00 C ATOM 237 O GLU A 22 -8.736 -2.485 -2.654 1.00 0.00 O ATOM 238 CB GLU A 22 -5.779 -2.586 -3.989 1.00 0.00 C ATOM 239 CG GLU A 22 -4.863 -1.747 -4.888 1.00 0.00 C ATOM 240 CD GLU A 22 -5.604 -0.548 -5.518 1.00 0.00 C ATOM 241 OE1 GLU A 22 -5.454 0.595 -5.105 1.00 0.00 O ATOM 242 OE2 GLU A 22 -6.414 -0.819 -6.555 1.00 0.00 O ATOM 0 H GLU A 22 -4.499 -1.565 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.950 -0.904 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.197 -3.382 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.543 -3.066 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.017 -1.383 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.457 -2.377 -5.679 1.00 0.00 H new ATOM 245 N ASN A 23 -7.295 -2.979 -0.989 1.00 0.00 N ATOM 246 CA ASN A 23 -8.292 -3.578 -0.072 1.00 0.00 C ATOM 247 C ASN A 23 -9.082 -2.511 0.725 1.00 0.00 C ATOM 248 O ASN A 23 -10.309 -2.523 0.682 1.00 0.00 O ATOM 249 CB ASN A 23 -7.630 -4.580 0.877 1.00 0.00 C ATOM 250 CG ASN A 23 -7.258 -5.858 0.133 1.00 0.00 C ATOM 251 OD1 ASN A 23 -6.107 -6.158 -0.148 1.00 0.00 O ATOM 252 ND2 ASN A 23 -8.262 -6.632 -0.223 1.00 0.00 N ATOM 0 H ASN A 23 -6.349 -2.968 -0.608 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.012 -4.109 -0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.737 -4.136 1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.308 -4.815 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.084 -7.493 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.218 -6.370 0.018 1.00 0.00 H new ATOM 256 N GLU A 24 -8.370 -1.584 1.357 1.00 0.00 N ATOM 257 CA GLU A 24 -9.019 -0.486 2.115 1.00 0.00 C ATOM 258 C GLU A 24 -9.892 0.418 1.229 1.00 0.00 C ATOM 259 O GLU A 24 -11.051 0.640 1.543 1.00 0.00 O ATOM 260 CB GLU A 24 -8.031 0.328 2.979 1.00 0.00 C ATOM 261 CG GLU A 24 -7.137 1.271 2.182 1.00 0.00 C ATOM 262 CD GLU A 24 -6.270 2.189 3.023 1.00 0.00 C ATOM 263 OE1 GLU A 24 -5.223 1.833 3.543 1.00 0.00 O ATOM 264 OE2 GLU A 24 -6.655 3.485 3.073 1.00 0.00 O ATOM 0 H GLU A 24 -7.350 -1.558 1.368 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.693 -0.982 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.596 0.910 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.402 -0.363 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.492 0.677 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.764 1.881 1.532 1.00 0.00 H new ATOM 267 N VAL A 25 -9.379 0.787 0.051 1.00 0.00 N ATOM 268 CA VAL A 25 -10.114 1.543 -0.982 1.00 0.00 C ATOM 269 C VAL A 25 -11.474 0.903 -1.303 1.00 0.00 C ATOM 270 O VAL A 25 -12.448 1.632 -1.394 1.00 0.00 O ATOM 271 CB VAL A 25 -9.248 1.794 -2.237 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.014 2.381 -3.430 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.144 2.796 -1.896 1.00 0.00 C ATOM 0 H VAL A 25 -8.421 0.566 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.337 2.527 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.870 0.813 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.330 2.525 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.809 1.696 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.448 3.340 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.531 2.976 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.592 3.734 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.521 2.393 -1.097 1.00 0.00 H new ATOM 275 N ALA A 26 -11.559 -0.425 -1.254 1.00 0.00 N ATOM 276 CA ALA A 26 -12.840 -1.141 -1.427 1.00 0.00 C ATOM 277 C ALA A 26 -13.844 -0.840 -0.288 1.00 0.00 C ATOM 278 O ALA A 26 -14.811 -0.128 -0.540 1.00 0.00 O ATOM 279 CB ALA A 26 -12.573 -2.640 -1.594 1.00 0.00 C ATOM 0 H ALA A 26 -10.758 -1.037 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.319 -0.775 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.519 -3.166 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.946 -2.802 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.063 -3.020 -0.709 1.00 0.00 H new ATOM 281 N ARG A 27 -13.498 -1.199 0.956 1.00 0.00 N ATOM 282 CA ARG A 27 -14.320 -0.858 2.143 1.00 0.00 C ATOM 283 C ARG A 27 -14.633 0.647 2.283 1.00 0.00 C ATOM 284 O ARG A 27 -15.665 1.032 2.820 1.00 0.00 O ATOM 285 CB ARG A 27 -13.735 -1.357 3.475 1.00 0.00 C ATOM 286 CG ARG A 27 -12.393 -0.717 3.863 1.00 0.00 C ATOM 287 CD ARG A 27 -11.855 -1.039 5.269 1.00 0.00 C ATOM 288 NE ARG A 27 -11.939 -2.483 5.557 1.00 0.00 N ATOM 289 CZ ARG A 27 -11.530 -3.462 4.747 1.00 0.00 C ATOM 290 NH1 ARG A 27 -10.342 -3.452 4.157 1.00 0.00 N ATOM 291 NH2 ARG A 27 -12.209 -4.599 4.776 1.00 0.00 N ATOM 0 H ARG A 27 -12.653 -1.727 1.175 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.249 -1.392 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -14.457 -1.165 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.604 -2.438 3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.645 -1.026 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.494 0.365 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.819 -0.710 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.424 -0.484 6.015 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.344 -2.757 6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.701 -2.675 4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.070 -4.221 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.009 -4.699 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.932 -5.374 4.174 1.00 0.00 H new ATOM 298 N LEU A 28 -13.672 1.463 1.865 1.00 0.00 N ATOM 299 CA LEU A 28 -13.736 2.926 1.820 1.00 0.00 C ATOM 300 C LEU A 28 -14.732 3.444 0.759 1.00 0.00 C ATOM 301 O LEU A 28 -15.637 4.209 1.067 1.00 0.00 O ATOM 302 CB LEU A 28 -12.306 3.436 1.619 1.00 0.00 C ATOM 303 CG LEU A 28 -12.174 4.839 1.040 1.00 0.00 C ATOM 304 CD1 LEU A 28 -12.592 5.898 2.056 1.00 0.00 C ATOM 305 CD2 LEU A 28 -10.744 5.102 0.575 1.00 0.00 C ATOM 0 H LEU A 28 -12.777 1.106 1.529 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.132 3.319 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.794 3.411 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.783 2.742 0.961 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.842 4.902 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.487 6.888 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.631 5.737 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.957 5.826 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.674 6.110 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.063 5.006 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.472 4.378 -0.194 1.00 0.00 H new ATOM 307 N LYS A 29 -14.555 3.013 -0.480 1.00 0.00 N ATOM 308 CA LYS A 29 -15.420 3.409 -1.606 1.00 0.00 C ATOM 309 C LYS A 29 -16.870 2.935 -1.400 1.00 0.00 C ATOM 310 O LYS A 29 -17.812 3.668 -1.713 1.00 0.00 O ATOM 311 CB LYS A 29 -14.830 2.872 -2.904 1.00 0.00 C ATOM 312 CG LYS A 29 -15.170 3.771 -4.104 1.00 0.00 C ATOM 313 CD LYS A 29 -13.880 4.133 -4.840 1.00 0.00 C ATOM 314 CE LYS A 29 -14.142 5.022 -6.069 1.00 0.00 C ATOM 315 NZ LYS A 29 -14.498 4.209 -7.242 1.00 0.00 N ATOM 0 H LYS A 29 -13.805 2.374 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.458 4.497 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.747 2.793 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.208 1.866 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.855 3.256 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.676 4.675 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.207 4.650 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.375 3.220 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.947 5.723 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.254 5.615 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.670 4.832 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.718 3.557 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.359 3.662 -7.037 1.00 0.00 H new ATOM 320 N LYS A 30 -17.012 1.840 -0.654 1.00 0.00 N ATOM 321 CA LYS A 30 -18.306 1.336 -0.146 1.00 0.00 C ATOM 322 C LYS A 30 -19.071 2.360 0.738 1.00 0.00 C ATOM 323 O LYS A 30 -20.292 2.456 0.663 1.00 0.00 O ATOM 324 CB LYS A 30 -18.006 -0.008 0.530 1.00 0.00 C ATOM 325 CG LYS A 30 -18.504 -0.245 1.955 1.00 0.00 C ATOM 326 CD LYS A 30 -18.011 -1.622 2.364 1.00 0.00 C ATOM 327 CE LYS A 30 -18.703 -2.141 3.625 1.00 0.00 C ATOM 328 NZ LYS A 30 -18.516 -3.592 3.569 1.00 0.00 N ATOM 0 H LYS A 30 -16.220 1.260 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.014 1.185 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.423 -0.794 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.924 -0.142 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.122 0.520 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.592 -0.194 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.180 -2.323 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.935 -1.584 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.259 -1.717 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.760 -1.876 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.961 -4.032 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.954 -3.965 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.499 -3.811 3.565 1.00 0.00 H new ATOM 333 N LEU A 31 -18.316 3.215 1.431 1.00 0.00 N ATOM 334 CA LEU A 31 -18.881 4.295 2.266 1.00 0.00 C ATOM 335 C LEU A 31 -19.531 5.389 1.398 1.00 0.00 C ATOM 336 O LEU A 31 -20.658 5.801 1.680 1.00 0.00 O ATOM 337 CB LEU A 31 -17.818 4.901 3.186 1.00 0.00 C ATOM 338 CG LEU A 31 -17.045 3.856 4.005 1.00 0.00 C ATOM 339 CD1 LEU A 31 -15.864 4.528 4.720 1.00 0.00 C ATOM 340 CD2 LEU A 31 -17.918 3.116 5.023 1.00 0.00 C ATOM 0 H LEU A 31 -17.296 3.184 1.434 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.656 3.851 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.112 5.473 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.297 5.603 3.868 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.686 3.106 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.318 3.784 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.197 4.973 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -16.237 5.305 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.310 2.393 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.345 3.832 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.722 2.595 4.503 1.00 0.00 H new ATOM 342 N VAL A 32 -18.932 5.650 0.236 1.00 0.00 N ATOM 343 CA VAL A 32 -19.457 6.586 -0.777 1.00 0.00 C ATOM 344 C VAL A 32 -20.415 5.850 -1.772 1.00 0.00 C ATOM 345 O VAL A 32 -20.849 6.395 -2.784 1.00 0.00 O ATOM 346 CB VAL A 32 -18.281 7.310 -1.476 1.00 0.00 C ATOM 347 CG1 VAL A 32 -18.717 8.389 -2.477 1.00 0.00 C ATOM 348 CG2 VAL A 32 -17.347 7.994 -0.464 1.00 0.00 C ATOM 0 H VAL A 32 -18.053 5.213 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.063 7.353 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 32 -17.769 6.512 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.835 8.849 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.325 7.935 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -19.301 9.150 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -16.535 8.490 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.909 8.731 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -16.934 7.246 0.213 1.00 0.00 H new ATOM 350 N GLY A 33 -20.845 4.655 -1.360 1.00 0.00 N ATOM 351 CA GLY A 33 -21.796 3.817 -2.102 1.00 0.00 C ATOM 352 C GLY A 33 -23.212 3.929 -1.515 1.00 0.00 C ATOM 353 O GLY A 33 -24.171 4.151 -2.244 1.00 0.00 O ATOM 0 H GLY A 33 -20.537 4.233 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.809 4.118 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.469 2.778 -2.073 1.00 0.00 H new ATOM 355 N GLU A 34 -23.282 3.758 -0.186 1.00 0.00 N ATOM 356 CA GLU A 34 -24.541 3.757 0.619 1.00 0.00 C ATOM 357 C GLU A 34 -24.266 3.592 2.122 1.00 0.00 C ATOM 358 O GLU A 34 -24.310 2.509 2.693 1.00 0.00 O ATOM 359 CB GLU A 34 -25.537 2.705 0.098 1.00 0.00 C ATOM 360 CG GLU A 34 -24.950 1.292 -0.044 1.00 0.00 C ATOM 361 CD GLU A 34 -25.492 0.522 -1.254 1.00 0.00 C ATOM 362 OE1 GLU A 34 -26.625 0.653 -1.696 1.00 0.00 O ATOM 363 OE2 GLU A 34 -24.643 -0.369 -1.809 1.00 0.00 O ATOM 0 H GLU A 34 -22.450 3.612 0.386 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.005 4.735 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -26.391 2.664 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -25.914 3.028 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -23.865 1.364 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -25.164 0.726 0.862 1.00 0.00 H new ATOM 366 N ARG A 35 -23.918 4.713 2.765 1.00 0.00 N ATOM 367 CA ARG A 35 -23.662 4.716 4.222 1.00 0.00 C ATOM 368 C ARG A 35 -24.902 5.154 5.029 1.00 0.00 C ATOM 369 O ARG A 35 -24.991 6.347 5.394 1.00 0.00 O ATOM 370 CB ARG A 35 -22.414 5.569 4.501 1.00 0.00 C ATOM 371 CG ARG A 35 -21.822 5.268 5.876 1.00 0.00 C ATOM 372 CD ARG A 35 -21.980 6.416 6.885 1.00 0.00 C ATOM 373 NE ARG A 35 -21.288 6.015 8.114 1.00 0.00 N ATOM 374 CZ ARG A 35 -19.959 5.864 8.232 1.00 0.00 C ATOM 375 NH1 ARG A 35 -19.115 6.527 7.461 1.00 0.00 N ATOM 376 NH2 ARG A 35 -19.531 4.670 8.618 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.789 4.290 5.195 1.00 0.00 O ATOM 0 H ARG A 35 -23.807 5.621 2.313 1.00 0.00 H new ATOM 0 HA ARG A 35 -23.462 3.700 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -21.664 5.380 3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.674 6.626 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.299 4.375 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -20.762 5.040 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -21.555 7.338 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.034 6.611 7.084 1.00 0.00 H new ATOM 0 HE ARG A 35 -21.859 5.838 8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -19.469 7.173 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.110 6.393 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -20.201 3.925 8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.532 4.497 8.725 1.00 0.00 H new TER 384 ARG A 35