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+ 148:sc= -0.0451 (180deg=-1.03) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 4 MET CE :methyl 158:sc= -0.255 (180deg=-0.793) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= -0.107 (180deg=-0.874) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.256 F(o=-1.3,f=-0.26) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.92 X(o=-1.9,f=-1.8) USER MOD Single : A 23 ASN : amide:sc= -0.291 X(o=-0.29,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 18.235 9.469 2.660 1.00 0.00 N ATOM 2 CA LEU A 1 18.091 8.219 1.894 1.00 0.00 C ATOM 3 C LEU A 1 19.173 8.062 0.793 1.00 0.00 C ATOM 4 O LEU A 1 19.493 8.997 0.057 1.00 0.00 O ATOM 5 CB LEU A 1 16.657 8.076 1.343 1.00 0.00 C ATOM 6 CG LEU A 1 16.339 8.838 0.045 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.073 8.272 -0.593 1.00 0.00 C ATOM 8 CD2 LEU A 1 16.181 10.349 0.241 1.00 0.00 C ATOM 0 H1 LEU A 1 17.297 9.802 2.960 1.00 0.00 H new ATOM 0 H2 LEU A 1 18.826 9.296 3.498 1.00 0.00 H new ATOM 0 H3 LEU A 1 18.685 10.192 2.063 1.00 0.00 H new ATOM 0 HA LEU A 1 18.261 7.393 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 1 16.461 7.017 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.961 8.409 2.113 1.00 0.00 H new ATOM 0 HG LEU A 1 17.198 8.696 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 1 14.854 8.816 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.222 7.217 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.238 8.378 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.958 10.819 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.366 10.542 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 1 17.107 10.763 0.641 1.00 0.00 H new ATOM 12 N GLN A 2 19.802 6.893 0.810 1.00 0.00 N ATOM 13 CA GLN A 2 20.884 6.531 -0.135 1.00 0.00 C ATOM 14 C GLN A 2 20.957 4.997 -0.246 1.00 0.00 C ATOM 15 O GLN A 2 20.248 4.296 0.488 1.00 0.00 O ATOM 16 CB GLN A 2 22.209 7.118 0.365 1.00 0.00 C ATOM 17 CG GLN A 2 23.344 6.996 -0.671 1.00 0.00 C ATOM 18 CD GLN A 2 24.697 7.515 -0.201 1.00 0.00 C ATOM 19 OE1 GLN A 2 24.896 7.720 1.091 1.00 0.00 O flip ATOM 20 NE2 GLN A 2 25.625 7.669 -0.984 1.00 0.00 N flip ATOM 0 H GLN A 2 19.584 6.155 1.480 1.00 0.00 H new ATOM 0 HA GLN A 2 20.683 6.941 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 2 22.064 8.169 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 2 22.504 6.608 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.450 5.948 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.055 7.539 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.482 7.513 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.542 7.953 -0.639 1.00 0.00 H new ATOM 24 N ARG A 3 21.575 4.563 -1.350 1.00 0.00 N ATOM 25 CA ARG A 3 21.975 3.168 -1.663 1.00 0.00 C ATOM 26 C ARG A 3 20.817 2.454 -2.381 1.00 0.00 C ATOM 27 O ARG A 3 19.737 2.368 -1.813 1.00 0.00 O ATOM 28 CB ARG A 3 22.380 2.416 -0.388 1.00 0.00 C ATOM 29 CG ARG A 3 23.325 1.239 -0.598 1.00 0.00 C ATOM 30 CD ARG A 3 24.668 1.729 -1.137 1.00 0.00 C ATOM 31 NE ARG A 3 24.765 1.451 -2.579 1.00 0.00 N ATOM 32 CZ ARG A 3 25.098 0.262 -3.108 1.00 0.00 C ATOM 33 NH1 ARG A 3 25.173 -0.830 -2.361 1.00 0.00 N ATOM 34 NH2 ARG A 3 25.659 0.225 -4.301 1.00 0.00 N ATOM 0 H ARG A 3 21.829 5.207 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 3 22.844 3.185 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 3 22.852 3.122 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.477 2.052 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 3 23.474 0.711 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.882 0.528 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 3 24.773 2.799 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 3 25.483 1.236 -0.608 1.00 0.00 H new ATOM 0 HE ARG A 3 24.565 2.216 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 3 24.976 -0.779 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 3 25.428 -1.722 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 3 25.835 1.092 -4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 3 25.917 -0.670 -4.716 1.00 0.00 H new ATOM 41 N MET A 4 21.026 1.993 -3.597 1.00 0.00 N ATOM 42 CA MET A 4 19.940 1.307 -4.365 1.00 0.00 C ATOM 43 C MET A 4 19.350 0.080 -3.645 1.00 0.00 C ATOM 44 O MET A 4 18.137 -0.110 -3.691 1.00 0.00 O ATOM 45 CB MET A 4 20.392 0.967 -5.788 1.00 0.00 C ATOM 46 CG MET A 4 20.904 2.187 -6.574 1.00 0.00 C ATOM 47 SD MET A 4 19.826 3.660 -6.535 1.00 0.00 S ATOM 48 CE MET A 4 20.817 4.749 -5.526 1.00 0.00 C ATOM 0 H MET A 4 21.915 2.066 -4.092 1.00 0.00 H new ATOM 0 HA MET A 4 19.123 2.025 -4.431 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.181 0.217 -5.741 1.00 0.00 H new ATOM 0 HB3 MET A 4 19.558 0.519 -6.329 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.882 2.465 -6.182 1.00 0.00 H new ATOM 0 HG3 MET A 4 21.049 1.892 -7.613 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.526 5.783 -5.712 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.661 4.512 -4.474 1.00 0.00 H new ATOM 0 HE3 MET A 4 21.870 4.618 -5.775 1.00 0.00 H new ATOM 50 N LYS A 5 20.205 -0.551 -2.844 1.00 0.00 N ATOM 51 CA LYS A 5 19.851 -1.648 -1.913 1.00 0.00 C ATOM 52 C LYS A 5 19.073 -1.182 -0.653 1.00 0.00 C ATOM 53 O LYS A 5 18.390 -1.985 -0.014 1.00 0.00 O ATOM 54 CB LYS A 5 21.157 -2.383 -1.580 1.00 0.00 C ATOM 55 CG LYS A 5 20.974 -3.596 -0.663 1.00 0.00 C ATOM 56 CD LYS A 5 21.128 -3.239 0.827 1.00 0.00 C ATOM 57 CE LYS A 5 22.590 -3.161 1.258 1.00 0.00 C ATOM 58 NZ LYS A 5 23.120 -4.531 1.169 1.00 0.00 N ATOM 0 H LYS A 5 21.197 -0.314 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 5 19.144 -2.323 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.625 -2.710 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.845 -1.683 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.987 -4.027 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.705 -4.360 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.643 -2.282 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.613 -3.985 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.150 -2.485 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.676 -2.776 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.893 -4.649 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.362 -5.211 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 23.480 -4.702 0.208 1.00 0.00 H new ATOM 63 N GLN A 6 19.041 0.122 -0.437 1.00 0.00 N ATOM 64 CA GLN A 6 18.260 0.739 0.662 1.00 0.00 C ATOM 65 C GLN A 6 17.081 1.610 0.174 1.00 0.00 C ATOM 66 O GLN A 6 16.000 1.564 0.752 1.00 0.00 O ATOM 67 CB GLN A 6 19.169 1.526 1.595 1.00 0.00 C ATOM 68 CG GLN A 6 20.235 0.627 2.228 1.00 0.00 C ATOM 69 CD GLN A 6 20.994 1.360 3.321 1.00 0.00 C ATOM 70 OE1 GLN A 6 21.998 2.023 3.114 1.00 0.00 O ATOM 71 NE2 GLN A 6 20.487 1.237 4.532 1.00 0.00 N ATOM 0 H GLN A 6 19.550 0.796 -1.009 1.00 0.00 H new ATOM 0 HA GLN A 6 17.812 -0.087 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.652 2.331 1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 6 18.572 1.992 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.763 -0.263 2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 6 20.932 0.290 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.647 0.677 4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 6 20.935 1.702 5.322 1.00 0.00 H new ATOM 75 N LEU A 7 17.260 2.324 -0.929 1.00 0.00 N ATOM 76 CA LEU A 7 16.193 3.131 -1.565 1.00 0.00 C ATOM 77 C LEU A 7 14.942 2.328 -1.934 1.00 0.00 C ATOM 78 O LEU A 7 13.854 2.654 -1.494 1.00 0.00 O ATOM 79 CB LEU A 7 16.696 3.908 -2.797 1.00 0.00 C ATOM 80 CG LEU A 7 17.833 4.876 -2.456 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.067 5.860 -3.600 1.00 0.00 C ATOM 82 CD2 LEU A 7 17.571 5.668 -1.190 1.00 0.00 C ATOM 0 H LEU A 7 18.152 2.369 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 7 15.903 3.844 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.039 3.202 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.868 4.465 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 7 18.716 4.256 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.879 6.538 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.332 5.311 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.158 6.434 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.410 6.337 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.660 6.254 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.454 4.983 -0.350 1.00 0.00 H new ATOM 84 N GLU A 8 15.189 1.156 -2.507 1.00 0.00 N ATOM 85 CA GLU A 8 14.118 0.176 -2.806 1.00 0.00 C ATOM 86 C GLU A 8 13.482 -0.391 -1.513 1.00 0.00 C ATOM 87 O GLU A 8 12.286 -0.621 -1.496 1.00 0.00 O ATOM 88 CB GLU A 8 14.640 -0.900 -3.777 1.00 0.00 C ATOM 89 CG GLU A 8 15.136 -2.247 -3.203 1.00 0.00 C ATOM 90 CD GLU A 8 16.171 -2.141 -2.075 1.00 0.00 C ATOM 91 OE1 GLU A 8 16.653 -1.068 -1.736 1.00 0.00 O ATOM 92 OE2 GLU A 8 16.360 -3.223 -1.299 1.00 0.00 O ATOM 0 H GLU A 8 16.122 0.848 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 8 13.300 0.683 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.842 -1.118 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.461 -0.461 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.275 -2.803 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.568 -2.832 -4.015 1.00 0.00 H new ATOM 95 N ASP A 9 14.258 -0.487 -0.421 1.00 0.00 N ATOM 96 CA ASP A 9 13.765 -0.963 0.892 1.00 0.00 C ATOM 97 C ASP A 9 12.780 0.056 1.493 1.00 0.00 C ATOM 98 O ASP A 9 11.667 -0.290 1.893 1.00 0.00 O ATOM 99 CB ASP A 9 14.925 -1.322 1.856 1.00 0.00 C ATOM 100 CG ASP A 9 15.335 -0.313 2.942 1.00 0.00 C ATOM 101 OD1 ASP A 9 16.487 0.068 3.123 1.00 0.00 O ATOM 102 OD2 ASP A 9 14.375 0.100 3.801 1.00 0.00 O ATOM 0 H ASP A 9 15.247 -0.238 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 9 13.219 -1.893 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.660 -2.253 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.806 -1.526 1.248 1.00 0.00 H new ATOM 105 N LYS A 10 13.154 1.325 1.338 1.00 0.00 N ATOM 106 CA LYS A 10 12.333 2.483 1.725 1.00 0.00 C ATOM 107 C LYS A 10 11.070 2.562 0.856 1.00 0.00 C ATOM 108 O LYS A 10 9.963 2.649 1.372 1.00 0.00 O ATOM 109 CB LYS A 10 13.275 3.703 1.664 1.00 0.00 C ATOM 110 CG LYS A 10 12.637 5.093 1.752 1.00 0.00 C ATOM 111 CD LYS A 10 12.199 5.565 0.366 1.00 0.00 C ATOM 112 CE LYS A 10 11.765 7.032 0.319 1.00 0.00 C ATOM 113 NZ LYS A 10 10.576 7.291 1.152 1.00 0.00 N ATOM 0 H LYS A 10 14.052 1.588 0.933 1.00 0.00 H new ATOM 0 HA LYS A 10 11.930 2.419 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.997 3.612 2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.836 3.649 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.778 5.064 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.349 5.801 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.021 5.417 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.373 4.941 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.587 7.663 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.551 7.313 -0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.320 8.297 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.782 6.710 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.786 7.049 2.141 1.00 0.00 H new ATOM 118 N VAL A 11 11.219 2.339 -0.454 1.00 0.00 N ATOM 119 CA VAL A 11 10.076 2.284 -1.393 1.00 0.00 C ATOM 120 C VAL A 11 9.158 1.072 -1.126 1.00 0.00 C ATOM 121 O VAL A 11 7.946 1.169 -1.249 1.00 0.00 O ATOM 122 CB VAL A 11 10.597 2.372 -2.850 1.00 0.00 C ATOM 123 CG1 VAL A 11 9.529 2.105 -3.909 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.175 3.770 -3.112 1.00 0.00 C ATOM 0 H VAL A 11 12.125 2.192 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 11 9.433 3.149 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 11 11.354 1.592 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.973 2.185 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.124 1.102 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.727 2.837 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.540 3.827 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.398 4.519 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.998 3.958 -2.423 1.00 0.00 H new ATOM 126 N GLU A 12 9.754 -0.033 -0.702 1.00 0.00 N ATOM 127 CA GLU A 12 9.011 -1.274 -0.379 1.00 0.00 C ATOM 128 C GLU A 12 7.974 -1.045 0.746 1.00 0.00 C ATOM 129 O GLU A 12 6.840 -1.481 0.574 1.00 0.00 O ATOM 130 CB GLU A 12 9.968 -2.396 -0.015 1.00 0.00 C ATOM 131 CG GLU A 12 9.362 -3.752 -0.370 1.00 0.00 C ATOM 132 CD GLU A 12 10.192 -4.914 0.165 1.00 0.00 C ATOM 133 OE1 GLU A 12 10.445 -5.055 1.354 1.00 0.00 O ATOM 134 OE2 GLU A 12 10.586 -5.846 -0.733 1.00 0.00 O ATOM 0 H GLU A 12 10.762 -0.110 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 12 8.461 -1.568 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.912 -2.263 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.192 -2.359 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.352 -3.813 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.277 -3.837 -1.453 1.00 0.00 H new ATOM 137 N GLU A 13 8.317 -0.195 1.721 1.00 0.00 N ATOM 138 CA GLU A 13 7.383 0.243 2.795 1.00 0.00 C ATOM 139 C GLU A 13 6.075 0.825 2.219 1.00 0.00 C ATOM 140 O GLU A 13 4.991 0.497 2.681 1.00 0.00 O ATOM 141 CB GLU A 13 8.115 1.209 3.753 1.00 0.00 C ATOM 142 CG GLU A 13 7.868 2.711 3.545 1.00 0.00 C ATOM 143 CD GLU A 13 9.008 3.615 4.037 1.00 0.00 C ATOM 144 OE1 GLU A 13 9.669 3.384 5.033 1.00 0.00 O ATOM 145 OE2 GLU A 13 9.207 4.754 3.326 1.00 0.00 O ATOM 0 H GLU A 13 9.248 0.215 1.798 1.00 0.00 H new ATOM 0 HA GLU A 13 7.072 -0.625 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.829 0.956 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.186 1.026 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.706 2.897 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.950 2.991 4.061 1.00 0.00 H new ATOM 148 N LEU A 14 6.222 1.525 1.090 1.00 0.00 N ATOM 149 CA LEU A 14 5.095 2.175 0.381 1.00 0.00 C ATOM 150 C LEU A 14 4.203 1.089 -0.236 1.00 0.00 C ATOM 151 O LEU A 14 3.111 0.913 0.247 1.00 0.00 O ATOM 152 CB LEU A 14 5.535 3.134 -0.721 1.00 0.00 C ATOM 153 CG LEU A 14 6.560 4.186 -0.290 1.00 0.00 C ATOM 154 CD1 LEU A 14 6.879 5.071 -1.491 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.093 5.042 0.887 1.00 0.00 C ATOM 0 H LEU A 14 7.124 1.662 0.634 1.00 0.00 H new ATOM 0 HA LEU A 14 4.559 2.769 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.956 2.553 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.654 3.644 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 14 7.450 3.660 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.609 5.827 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.289 4.460 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.967 5.559 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.867 5.766 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.179 5.569 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.899 4.402 1.748 1.00 0.00 H new ATOM 157 N LEU A 15 4.755 0.273 -1.120 1.00 0.00 N ATOM 158 CA LEU A 15 4.005 -0.834 -1.765 1.00 0.00 C ATOM 159 C LEU A 15 3.376 -1.788 -0.735 1.00 0.00 C ATOM 160 O LEU A 15 2.160 -1.938 -0.748 1.00 0.00 O ATOM 161 CB LEU A 15 4.879 -1.630 -2.743 1.00 0.00 C ATOM 162 CG LEU A 15 5.774 -0.769 -3.651 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.439 -1.682 -4.666 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.037 0.364 -4.389 1.00 0.00 C ATOM 0 H LEU A 15 5.727 0.344 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 15 3.201 -0.359 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.511 -2.311 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.233 -2.244 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 15 6.498 -0.275 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.079 -1.092 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.041 -2.427 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.675 -2.183 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.745 0.918 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.259 -0.061 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.584 1.038 -3.662 1.00 0.00 H new ATOM 166 N SER A 16 4.163 -2.198 0.250 1.00 0.00 N ATOM 167 CA SER A 16 3.718 -3.020 1.401 1.00 0.00 C ATOM 168 C SER A 16 2.437 -2.458 2.077 1.00 0.00 C ATOM 169 O SER A 16 1.479 -3.191 2.291 1.00 0.00 O ATOM 170 CB SER A 16 4.853 -3.106 2.425 1.00 0.00 C ATOM 171 OG SER A 16 4.554 -4.060 3.455 1.00 0.00 O ATOM 0 H SER A 16 5.157 -1.970 0.285 1.00 0.00 H new ATOM 0 HA SER A 16 3.468 -4.011 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.778 -3.388 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.018 -2.125 2.871 1.00 0.00 H new ATOM 0 HG SER A 16 5.296 -4.095 4.094 1.00 0.00 H new ATOM 174 N LYS A 17 2.383 -1.128 2.152 1.00 0.00 N ATOM 175 CA LYS A 17 1.167 -0.408 2.614 1.00 0.00 C ATOM 176 C LYS A 17 0.134 -0.139 1.502 1.00 0.00 C ATOM 177 O LYS A 17 -1.050 -0.384 1.686 1.00 0.00 O ATOM 178 CB LYS A 17 1.506 0.860 3.430 1.00 0.00 C ATOM 179 CG LYS A 17 1.649 2.179 2.665 1.00 0.00 C ATOM 180 CD LYS A 17 1.653 3.412 3.566 1.00 0.00 C ATOM 181 CE LYS A 17 0.304 3.674 4.239 1.00 0.00 C ATOM 182 NZ LYS A 17 0.466 3.558 5.699 1.00 0.00 N ATOM 0 H LYS A 17 3.160 -0.516 1.902 1.00 0.00 H new ATOM 0 HA LYS A 17 0.671 -1.099 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.730 0.992 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.440 0.677 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.575 2.157 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.831 2.265 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.417 3.290 4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.932 4.284 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.060 4.668 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.439 2.959 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.447 3.735 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.796 2.601 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.163 4.256 6.028 1.00 0.00 H new ATOM 187 N ASN A 18 0.558 0.313 0.334 1.00 0.00 N ATOM 188 CA ASN A 18 -0.293 0.595 -0.837 1.00 0.00 C ATOM 189 C ASN A 18 -1.141 -0.626 -1.252 1.00 0.00 C ATOM 190 O ASN A 18 -2.345 -0.500 -1.508 1.00 0.00 O ATOM 191 CB ASN A 18 0.585 1.105 -1.982 1.00 0.00 C ATOM 192 CG ASN A 18 -0.106 2.174 -2.825 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.689 3.165 -2.178 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 -0.092 2.164 -4.038 1.00 0.00 N flip ATOM 0 H ASN A 18 1.544 0.505 0.156 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.011 1.370 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.509 1.513 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.863 0.267 -2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.359 1.397 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.531 2.923 -4.559 1.00 0.00 H new ATOM 198 N TYR A 19 -0.551 -1.800 -1.050 1.00 0.00 N ATOM 199 CA TYR A 19 -1.202 -3.126 -1.179 1.00 0.00 C ATOM 200 C TYR A 19 -2.300 -3.380 -0.129 1.00 0.00 C ATOM 201 O TYR A 19 -3.345 -3.937 -0.462 1.00 0.00 O ATOM 202 CB TYR A 19 -0.167 -4.258 -1.127 1.00 0.00 C ATOM 203 CG TYR A 19 0.687 -4.397 -2.393 1.00 0.00 C ATOM 204 CD1 TYR A 19 0.071 -4.438 -3.663 1.00 0.00 C ATOM 205 CD2 TYR A 19 2.086 -4.532 -2.263 1.00 0.00 C ATOM 206 CE1 TYR A 19 0.857 -4.604 -4.819 1.00 0.00 C ATOM 207 CE2 TYR A 19 2.883 -4.692 -3.413 1.00 0.00 C ATOM 208 CZ TYR A 19 2.259 -4.722 -4.679 1.00 0.00 C ATOM 209 OH TYR A 19 3.036 -4.820 -5.789 1.00 0.00 O ATOM 0 H TYR A 19 0.430 -1.871 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.689 -3.116 -2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.493 -4.091 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.686 -5.200 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.001 -4.342 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.544 -4.513 -1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.397 -4.641 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.955 -4.790 -3.328 1.00 0.00 H new ATOM 0 HH TYR A 19 3.977 -4.893 -5.524 1.00 0.00 H new ATOM 212 N HIS A 20 -2.081 -2.965 1.119 1.00 0.00 N ATOM 213 CA HIS A 20 -3.134 -3.022 2.157 1.00 0.00 C ATOM 214 C HIS A 20 -4.160 -1.859 2.089 1.00 0.00 C ATOM 215 O HIS A 20 -5.264 -1.938 2.609 1.00 0.00 O ATOM 216 CB HIS A 20 -2.555 -3.228 3.564 1.00 0.00 C ATOM 217 CG HIS A 20 -1.827 -2.060 4.271 1.00 0.00 C ATOM 218 ND1 HIS A 20 -0.799 -2.190 5.099 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.212 -0.789 4.326 1.00 0.00 C ATOM 220 CE1 HIS A 20 -0.551 -1.017 5.662 1.00 0.00 C ATOM 221 NE2 HIS A 20 -1.403 -0.125 5.139 1.00 0.00 N ATOM 0 H HIS A 20 -1.191 -2.586 1.444 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.717 -3.913 1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.375 -3.540 4.211 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.856 -4.062 3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.050 -0.365 3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.203 -0.816 6.409 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.425 0.877 5.331 1.00 0.00 H new ATOM 225 N LEU A 21 -3.784 -0.809 1.356 1.00 0.00 N ATOM 226 CA LEU A 21 -4.587 0.418 1.149 1.00 0.00 C ATOM 227 C LEU A 21 -5.718 0.213 0.144 1.00 0.00 C ATOM 228 O LEU A 21 -6.858 0.600 0.410 1.00 0.00 O ATOM 229 CB LEU A 21 -3.652 1.561 0.734 1.00 0.00 C ATOM 230 CG LEU A 21 -4.379 2.831 0.244 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.111 3.546 1.381 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.403 3.769 -0.457 1.00 0.00 C ATOM 0 H LEU A 21 -2.887 -0.779 0.872 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.076 0.677 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.019 1.823 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.993 1.206 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.137 2.520 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.609 4.434 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.853 2.875 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.394 3.839 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.933 4.659 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.614 4.059 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.962 3.261 -1.315 1.00 0.00 H new ATOM 234 N GLU A 22 -5.400 -0.419 -0.990 1.00 0.00 N ATOM 235 CA GLU A 22 -6.405 -0.804 -2.006 1.00 0.00 C ATOM 236 C GLU A 22 -7.604 -1.585 -1.408 1.00 0.00 C ATOM 237 O GLU A 22 -8.748 -1.325 -1.775 1.00 0.00 O ATOM 238 CB GLU A 22 -5.788 -1.583 -3.179 1.00 0.00 C ATOM 239 CG GLU A 22 -4.961 -2.787 -2.713 1.00 0.00 C ATOM 240 CD GLU A 22 -4.965 -3.960 -3.697 1.00 0.00 C ATOM 241 OE1 GLU A 22 -5.996 -4.426 -4.174 1.00 0.00 O ATOM 242 OE2 GLU A 22 -3.780 -4.547 -3.933 1.00 0.00 O ATOM 0 H GLU A 22 -4.445 -0.681 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.791 0.139 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.583 -1.926 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.154 -0.915 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.932 -2.467 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.346 -3.130 -1.752 1.00 0.00 H new ATOM 245 N ASN A 23 -7.328 -2.353 -0.353 1.00 0.00 N ATOM 246 CA ASN A 23 -8.369 -3.042 0.443 1.00 0.00 C ATOM 247 C ASN A 23 -9.388 -2.038 1.041 1.00 0.00 C ATOM 248 O ASN A 23 -10.578 -2.130 0.753 1.00 0.00 O ATOM 249 CB ASN A 23 -7.737 -3.905 1.535 1.00 0.00 C ATOM 250 CG ASN A 23 -8.774 -4.574 2.458 1.00 0.00 C ATOM 251 OD1 ASN A 23 -8.657 -4.576 3.669 1.00 0.00 O ATOM 252 ND2 ASN A 23 -9.881 -5.000 1.893 1.00 0.00 N ATOM 0 H ASN A 23 -6.379 -2.521 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.919 -3.699 -0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.124 -4.676 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.070 -3.287 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.652 -5.336 2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.970 -4.994 0.877 1.00 0.00 H new ATOM 256 N GLU A 24 -8.856 -1.047 1.751 1.00 0.00 N ATOM 257 CA GLU A 24 -9.672 0.036 2.352 1.00 0.00 C ATOM 258 C GLU A 24 -10.428 0.807 1.255 1.00 0.00 C ATOM 259 O GLU A 24 -11.637 0.749 1.281 1.00 0.00 O ATOM 260 CB GLU A 24 -8.790 0.917 3.250 1.00 0.00 C ATOM 261 CG GLU A 24 -9.446 2.212 3.756 1.00 0.00 C ATOM 262 CD GLU A 24 -9.185 3.403 2.832 1.00 0.00 C ATOM 263 OE1 GLU A 24 -8.184 3.500 2.127 1.00 0.00 O ATOM 264 OE2 GLU A 24 -10.114 4.378 2.799 1.00 0.00 O ATOM 0 H GLU A 24 -7.856 -0.960 1.932 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.442 -0.382 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.477 0.328 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.887 1.179 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.521 2.058 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.069 2.441 4.753 1.00 0.00 H new ATOM 267 N VAL A 25 -9.714 1.332 0.256 1.00 0.00 N ATOM 268 CA VAL A 25 -10.290 1.999 -0.939 1.00 0.00 C ATOM 269 C VAL A 25 -11.504 1.234 -1.510 1.00 0.00 C ATOM 270 O VAL A 25 -12.534 1.858 -1.753 1.00 0.00 O ATOM 271 CB VAL A 25 -9.204 2.288 -1.985 1.00 0.00 C ATOM 272 CG1 VAL A 25 -9.744 2.884 -3.292 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.174 3.277 -1.425 1.00 0.00 C ATOM 0 H VAL A 25 -8.694 1.310 0.245 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.685 2.965 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.759 1.318 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.917 3.060 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.451 2.188 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.248 3.827 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.410 3.472 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.671 4.211 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.707 2.852 -0.536 1.00 0.00 H new ATOM 275 N ALA A 26 -11.433 -0.092 -1.534 1.00 0.00 N ATOM 276 CA ALA A 26 -12.542 -0.970 -1.959 1.00 0.00 C ATOM 277 C ALA A 26 -13.750 -0.925 -0.991 1.00 0.00 C ATOM 278 O ALA A 26 -14.787 -0.372 -1.353 1.00 0.00 O ATOM 279 CB ALA A 26 -12.025 -2.400 -2.164 1.00 0.00 C ATOM 0 H ALA A 26 -10.596 -0.605 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.918 -0.593 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.848 -3.043 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.251 -2.401 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.608 -2.774 -1.229 1.00 0.00 H new ATOM 281 N ARG A 27 -13.578 -1.403 0.243 1.00 0.00 N ATOM 282 CA ARG A 27 -14.613 -1.319 1.314 1.00 0.00 C ATOM 283 C ARG A 27 -15.143 0.109 1.549 1.00 0.00 C ATOM 284 O ARG A 27 -16.325 0.308 1.810 1.00 0.00 O ATOM 285 CB ARG A 27 -14.065 -1.938 2.598 1.00 0.00 C ATOM 286 CG ARG A 27 -14.597 -3.356 2.860 1.00 0.00 C ATOM 287 CD ARG A 27 -15.846 -3.381 3.759 1.00 0.00 C ATOM 288 NE ARG A 27 -15.554 -2.723 5.047 1.00 0.00 N ATOM 289 CZ ARG A 27 -14.782 -3.198 6.029 1.00 0.00 C ATOM 290 NH1 ARG A 27 -14.670 -4.498 6.293 1.00 0.00 N ATOM 291 NH2 ARG A 27 -13.720 -2.474 6.350 1.00 0.00 N ATOM 0 H ARG A 27 -12.719 -1.864 0.544 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.480 -1.888 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.977 -1.969 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -14.323 -1.298 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -14.834 -3.829 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.811 -3.951 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -16.673 -2.874 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -16.160 -4.411 3.930 1.00 0.00 H new ATOM 0 HE ARG A 27 -15.986 -1.812 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.186 -5.178 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.068 -4.814 7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.528 -1.603 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.095 -2.787 7.092 1.00 0.00 H new ATOM 298 N LEU A 28 -14.280 1.102 1.338 1.00 0.00 N ATOM 299 CA LEU A 28 -14.598 2.541 1.301 1.00 0.00 C ATOM 300 C LEU A 28 -15.524 2.895 0.130 1.00 0.00 C ATOM 301 O LEU A 28 -16.622 3.400 0.341 1.00 0.00 O ATOM 302 CB LEU A 28 -13.274 3.322 1.259 1.00 0.00 C ATOM 303 CG LEU A 28 -13.386 4.766 0.783 1.00 0.00 C ATOM 304 CD1 LEU A 28 -13.988 5.666 1.862 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.027 5.316 0.337 1.00 0.00 C ATOM 0 H LEU A 28 -13.289 0.922 1.180 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.152 2.819 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.837 3.318 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.580 2.794 0.605 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.056 4.765 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.053 6.688 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.985 5.309 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.355 5.644 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.143 6.347 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.328 5.281 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.641 4.711 -0.484 1.00 0.00 H new ATOM 307 N LYS A 29 -15.096 2.616 -1.104 1.00 0.00 N ATOM 308 CA LYS A 29 -15.892 2.896 -2.310 1.00 0.00 C ATOM 309 C LYS A 29 -17.215 2.096 -2.335 1.00 0.00 C ATOM 310 O LYS A 29 -18.220 2.590 -2.849 1.00 0.00 O ATOM 311 CB LYS A 29 -15.029 2.638 -3.533 1.00 0.00 C ATOM 312 CG LYS A 29 -15.400 3.587 -4.673 1.00 0.00 C ATOM 313 CD LYS A 29 -14.143 4.218 -5.271 1.00 0.00 C ATOM 314 CE LYS A 29 -14.507 5.214 -6.373 1.00 0.00 C ATOM 315 NZ LYS A 29 -13.310 5.977 -6.774 1.00 0.00 N ATOM 0 H LYS A 29 -14.190 2.190 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.194 3.943 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.978 2.767 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.153 1.605 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.944 3.043 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.066 4.367 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.578 4.725 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.498 3.439 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.917 4.685 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.281 5.895 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.564 6.652 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.937 6.495 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.584 5.323 -7.129 1.00 0.00 H new ATOM 320 N LYS A 30 -17.263 1.008 -1.577 1.00 0.00 N ATOM 321 CA LYS A 30 -18.508 0.266 -1.279 1.00 0.00 C ATOM 322 C LYS A 30 -19.531 1.109 -0.480 1.00 0.00 C ATOM 323 O LYS A 30 -20.735 1.047 -0.755 1.00 0.00 O ATOM 324 CB LYS A 30 -18.087 -1.060 -0.617 1.00 0.00 C ATOM 325 CG LYS A 30 -19.119 -1.765 0.265 1.00 0.00 C ATOM 326 CD LYS A 30 -18.979 -1.302 1.717 1.00 0.00 C ATOM 327 CE LYS A 30 -20.318 -0.997 2.393 1.00 0.00 C ATOM 328 NZ LYS A 30 -21.056 -2.252 2.617 1.00 0.00 N ATOM 0 H LYS A 30 -16.435 0.601 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.063 0.039 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.790 -1.751 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.201 -0.868 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.124 -1.551 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.982 -2.845 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.460 -2.073 2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.354 -0.409 1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -20.150 -0.488 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -20.906 -0.324 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.965 -2.043 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.229 -2.721 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.496 -2.880 3.228 1.00 0.00 H new ATOM 333 N LEU A 31 -19.053 1.975 0.406 1.00 0.00 N ATOM 334 CA LEU A 31 -19.901 2.899 1.192 1.00 0.00 C ATOM 335 C LEU A 31 -19.865 4.369 0.727 1.00 0.00 C ATOM 336 O LEU A 31 -20.442 5.250 1.364 1.00 0.00 O ATOM 337 CB LEU A 31 -19.631 2.734 2.706 1.00 0.00 C ATOM 338 CG LEU A 31 -18.154 2.778 3.110 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.654 4.210 3.345 1.00 0.00 C ATOM 340 CD2 LEU A 31 -17.898 1.897 4.331 1.00 0.00 C ATOM 0 H LEU A 31 -18.058 2.066 0.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.931 2.602 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -20.162 3.521 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.053 1.784 3.033 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.581 2.380 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.602 4.186 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.770 4.791 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -18.235 4.672 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.843 1.944 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.501 2.250 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.168 0.867 4.099 1.00 0.00 H new ATOM 342 N VAL A 32 -19.218 4.591 -0.413 1.00 0.00 N ATOM 343 CA VAL A 32 -19.094 5.910 -1.089 1.00 0.00 C ATOM 344 C VAL A 32 -19.517 5.861 -2.588 1.00 0.00 C ATOM 345 O VAL A 32 -19.512 6.869 -3.294 1.00 0.00 O ATOM 346 CB VAL A 32 -17.657 6.444 -0.836 1.00 0.00 C ATOM 347 CG1 VAL A 32 -17.288 7.726 -1.585 1.00 0.00 C ATOM 348 CG2 VAL A 32 -17.462 6.751 0.648 1.00 0.00 C ATOM 0 H VAL A 32 -18.745 3.844 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.800 6.622 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 32 -17.016 5.643 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.265 8.011 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -17.367 7.556 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.968 8.526 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -16.451 7.124 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -18.183 7.506 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -17.612 5.842 1.230 1.00 0.00 H new ATOM 350 N GLY A 33 -19.999 4.702 -3.020 1.00 0.00 N ATOM 351 CA GLY A 33 -20.444 4.460 -4.418 1.00 0.00 C ATOM 352 C GLY A 33 -21.947 4.183 -4.549 1.00 0.00 C ATOM 353 O GLY A 33 -22.551 4.471 -5.583 1.00 0.00 O ATOM 0 H GLY A 33 -20.099 3.886 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.189 5.328 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.891 3.613 -4.824 1.00 0.00 H new ATOM 355 N GLU A 34 -22.502 3.551 -3.515 1.00 0.00 N ATOM 356 CA GLU A 34 -23.933 3.166 -3.458 1.00 0.00 C ATOM 357 C GLU A 34 -24.666 3.847 -2.281 1.00 0.00 C ATOM 358 O GLU A 34 -25.114 4.982 -2.438 1.00 0.00 O ATOM 359 CB GLU A 34 -24.101 1.641 -3.511 1.00 0.00 C ATOM 360 CG GLU A 34 -23.075 0.877 -2.653 1.00 0.00 C ATOM 361 CD GLU A 34 -23.552 -0.495 -2.182 1.00 0.00 C ATOM 362 OE1 GLU A 34 -24.675 -0.676 -1.721 1.00 0.00 O ATOM 363 OE2 GLU A 34 -22.624 -1.473 -2.163 1.00 0.00 O ATOM 0 H GLU A 34 -21.977 3.285 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 34 -24.427 3.546 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -25.106 1.383 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.015 1.310 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -22.158 0.753 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -22.825 1.482 -1.781 1.00 0.00 H new ATOM 366 N ARG A 35 -24.706 3.172 -1.127 1.00 0.00 N ATOM 367 CA ARG A 35 -25.302 3.634 0.146 1.00 0.00 C ATOM 368 C ARG A 35 -26.842 3.648 0.129 1.00 0.00 C ATOM 369 O ARG A 35 -27.406 2.605 0.560 1.00 0.00 O ATOM 370 CB ARG A 35 -24.706 5.000 0.528 1.00 0.00 C ATOM 371 CG ARG A 35 -24.810 5.351 2.007 1.00 0.00 C ATOM 372 CD ARG A 35 -23.610 4.827 2.799 1.00 0.00 C ATOM 373 NE ARG A 35 -23.253 5.843 3.807 1.00 0.00 N ATOM 374 CZ ARG A 35 -24.013 6.249 4.821 1.00 0.00 C ATOM 375 NH1 ARG A 35 -25.095 5.581 5.204 1.00 0.00 N ATOM 376 NH2 ARG A 35 -23.645 7.295 5.548 1.00 0.00 N ATOM 377 OXT ARG A 35 -27.439 4.624 -0.376 1.00 0.00 O ATOM 0 H ARG A 35 -24.304 2.238 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 35 -25.042 2.910 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -23.655 5.016 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -25.208 5.775 -0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -24.876 6.433 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -25.728 4.931 2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -23.855 3.881 3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -22.768 4.637 2.134 1.00 0.00 H new ATOM 0 HE ARG A 35 -22.334 6.277 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -25.367 4.727 4.716 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -25.654 5.922 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.779 7.788 5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.228 7.606 6.325 1.00 0.00 H new TER 384 ARG A 35