USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= -2.54! C(o=-4.7!,f=-12!) USER MOD Set 1.2: B 17 ASN : amide:sc= -2.17! C(o=-4.7!,f=-12!) USER MOD Set 2.1: A 2 SER OG : rot 158:sc= 0.356 USER MOD Set 2.2: A 3 MET CE :methyl 157:sc=-0.00442 (180deg=-0.767) USER MOD Set 2.3: B 2 SER OG : rot 81:sc= 1.19 USER MOD Set 2.4: B 3 MET CE :methyl 158:sc=-0.000284 (180deg=-0.718) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0979 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= -0.0987 (180deg=-0.431) USER MOD Single : A 5 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.31) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 65:sc= 0.759 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.013 (180deg=-0.0918) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.02 K(o=-1,f=-0.00032) USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -0.0311 (180deg=-0.309) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= 0.254 (180deg=-0.301) USER MOD Single : B 1 GLY N :NH3+ -122:sc= 0.111 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 162:sc= -0.0582 (180deg=-0.448) USER MOD Single : B 5 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.38) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 66:sc= 0.79 USER MOD Single : B 16 LYS NZ :NH3+ 172:sc= -0.0112 (180deg=-0.0746) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 22 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.0053) USER MOD Single : B 28 LYS NZ :NH3+ -116:sc= -0.044 (180deg=-0.339) USER MOD Single : B 29 LYS NZ :NH3+ -109:sc= 0.24 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.279 -2.982 -7.520 1.00 0.00 N ATOM 2 CA GLY A 1 -23.595 -2.658 -6.109 1.00 0.00 C ATOM 3 C GLY A 1 -22.399 -2.077 -5.384 1.00 0.00 C ATOM 4 O GLY A 1 -21.346 -1.863 -5.989 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.935 -2.475 -8.148 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.303 -2.692 -7.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.376 -4.006 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.421 -1.947 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.929 -3.559 -5.595 1.00 0.00 H new ATOM 10 N SER A 2 -22.548 -1.836 -4.093 1.00 0.00 N ATOM 11 CA SER A 2 -21.487 -1.237 -3.306 1.00 0.00 C ATOM 12 C SER A 2 -20.635 -2.286 -2.589 1.00 0.00 C ATOM 13 O SER A 2 -19.468 -2.467 -2.932 1.00 0.00 O ATOM 14 CB SER A 2 -22.091 -0.258 -2.302 1.00 0.00 C ATOM 15 OG SER A 2 -23.277 -0.791 -1.738 1.00 0.00 O ATOM 0 H SER A 2 -23.396 -2.047 -3.567 1.00 0.00 H new ATOM 0 HA SER A 2 -20.823 -0.704 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.370 -0.047 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.310 0.689 -2.796 1.00 0.00 H new ATOM 0 HG SER A 2 -23.458 -0.351 -0.881 1.00 0.00 H new ATOM 21 N MET A 3 -21.240 -2.989 -1.627 1.00 0.00 N ATOM 22 CA MET A 3 -20.516 -3.876 -0.701 1.00 0.00 C ATOM 23 C MET A 3 -19.403 -4.688 -1.366 1.00 0.00 C ATOM 24 O MET A 3 -18.241 -4.533 -1.015 1.00 0.00 O ATOM 25 CB MET A 3 -21.477 -4.832 0.024 1.00 0.00 C ATOM 26 CG MET A 3 -22.381 -4.161 1.048 1.00 0.00 C ATOM 27 SD MET A 3 -23.656 -3.130 0.301 1.00 0.00 S ATOM 28 CE MET A 3 -24.479 -2.515 1.768 1.00 0.00 C ATOM 0 H MET A 3 -22.247 -2.962 -1.465 1.00 0.00 H new ATOM 0 HA MET A 3 -20.043 -3.207 0.018 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.099 -5.333 -0.718 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.893 -5.604 0.524 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.855 -4.927 1.662 1.00 0.00 H new ATOM 0 HG3 MET A 3 -21.773 -3.550 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 3 -24.997 -1.585 1.532 1.00 0.00 H new ATOM 0 HE2 MET A 3 -25.200 -3.254 2.117 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.741 -2.331 2.549 1.00 0.00 H new ATOM 38 N LYS A 4 -19.739 -5.517 -2.344 1.00 0.00 N ATOM 39 CA LYS A 4 -18.776 -6.491 -2.863 1.00 0.00 C ATOM 40 C LYS A 4 -17.763 -5.856 -3.806 1.00 0.00 C ATOM 41 O LYS A 4 -16.713 -6.427 -4.071 1.00 0.00 O ATOM 42 CB LYS A 4 -19.479 -7.648 -3.580 1.00 0.00 C ATOM 43 CG LYS A 4 -20.179 -8.632 -2.648 1.00 0.00 C ATOM 44 CD LYS A 4 -21.517 -8.107 -2.148 1.00 0.00 C ATOM 45 CE LYS A 4 -22.565 -8.089 -3.251 1.00 0.00 C ATOM 46 NZ LYS A 4 -22.834 -9.447 -3.793 1.00 0.00 N ATOM 0 H LYS A 4 -20.655 -5.540 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.242 -6.878 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.213 -7.238 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.745 -8.190 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.335 -9.576 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.533 -8.843 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.867 -8.729 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.387 -7.099 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -23.491 -7.665 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -22.229 -7.438 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.740 -9.444 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.070 -9.719 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.881 -10.130 -3.010 1.00 0.00 H new ATOM 60 N GLN A 5 -18.062 -4.666 -4.288 1.00 0.00 N ATOM 61 CA GLN A 5 -17.225 -4.017 -5.284 1.00 0.00 C ATOM 62 C GLN A 5 -16.326 -3.003 -4.614 1.00 0.00 C ATOM 63 O GLN A 5 -15.142 -2.903 -4.925 1.00 0.00 O ATOM 64 CB GLN A 5 -18.069 -3.345 -6.375 1.00 0.00 C ATOM 65 CG GLN A 5 -18.682 -4.325 -7.370 1.00 0.00 C ATOM 66 CD GLN A 5 -19.780 -5.187 -6.775 1.00 0.00 C ATOM 67 OE1 GLN A 5 -19.950 -6.342 -7.158 1.00 0.00 O ATOM 68 NE2 GLN A 5 -20.558 -4.623 -5.866 1.00 0.00 N ATOM 0 H GLN A 5 -18.880 -4.126 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.613 -4.780 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.868 -2.774 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.446 -2.634 -6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.087 -3.767 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.896 -4.971 -7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.386 -3.661 -5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.330 -5.150 -5.458 1.00 0.00 H new ATOM 77 N LEU A 6 -16.895 -2.264 -3.676 1.00 0.00 N ATOM 78 CA LEU A 6 -16.132 -1.306 -2.906 1.00 0.00 C ATOM 79 C LEU A 6 -15.176 -2.050 -1.992 1.00 0.00 C ATOM 80 O LEU A 6 -13.995 -1.722 -1.928 1.00 0.00 O ATOM 81 CB LEU A 6 -17.054 -0.393 -2.095 1.00 0.00 C ATOM 82 CG LEU A 6 -18.104 0.371 -2.912 1.00 0.00 C ATOM 83 CD1 LEU A 6 -18.895 1.315 -2.023 1.00 0.00 C ATOM 84 CD2 LEU A 6 -17.449 1.132 -4.055 1.00 0.00 C ATOM 0 H LEU A 6 -17.884 -2.312 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.563 -0.674 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.568 -0.996 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.441 0.329 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.796 -0.355 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.634 1.846 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.402 0.743 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -18.218 2.034 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.212 1.666 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -16.730 1.845 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -16.935 0.430 -4.712 1.00 0.00 H new ATOM 96 N GLU A 7 -15.681 -3.082 -1.309 1.00 0.00 N ATOM 97 CA GLU A 7 -14.827 -3.907 -0.457 1.00 0.00 C ATOM 98 C GLU A 7 -13.790 -4.656 -1.285 1.00 0.00 C ATOM 99 O GLU A 7 -12.675 -4.892 -0.809 1.00 0.00 O ATOM 100 CB GLU A 7 -15.643 -4.894 0.376 1.00 0.00 C ATOM 101 CG GLU A 7 -16.496 -4.232 1.444 1.00 0.00 C ATOM 102 CD GLU A 7 -17.240 -5.237 2.300 1.00 0.00 C ATOM 103 OE1 GLU A 7 -16.802 -5.484 3.442 1.00 0.00 O ATOM 104 OE2 GLU A 7 -18.262 -5.775 1.826 1.00 0.00 O ATOM 0 H GLU A 7 -16.662 -3.361 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.312 -3.233 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.289 -5.469 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.965 -5.602 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.861 -3.617 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.214 -3.563 0.968 1.00 0.00 H new ATOM 111 N ASP A 8 -14.148 -5.035 -2.519 1.00 0.00 N ATOM 112 CA ASP A 8 -13.166 -5.628 -3.427 1.00 0.00 C ATOM 113 C ASP A 8 -11.995 -4.677 -3.637 1.00 0.00 C ATOM 114 O ASP A 8 -10.838 -5.081 -3.548 1.00 0.00 O ATOM 115 CB ASP A 8 -13.790 -5.986 -4.777 1.00 0.00 C ATOM 116 CG ASP A 8 -14.081 -7.470 -4.906 1.00 0.00 C ATOM 117 OD1 ASP A 8 -14.413 -8.102 -3.885 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.980 -7.996 -6.032 1.00 0.00 O ATOM 0 H ASP A 8 -15.089 -4.943 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.807 -6.548 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.715 -5.425 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.117 -5.680 -5.578 1.00 0.00 H new ATOM 123 N LYS A 9 -12.306 -3.410 -3.890 1.00 0.00 N ATOM 124 CA LYS A 9 -11.280 -2.393 -4.108 1.00 0.00 C ATOM 125 C LYS A 9 -10.374 -2.258 -2.889 1.00 0.00 C ATOM 126 O LYS A 9 -9.149 -2.184 -3.024 1.00 0.00 O ATOM 127 CB LYS A 9 -11.918 -1.036 -4.415 1.00 0.00 C ATOM 128 CG LYS A 9 -12.803 -1.023 -5.649 1.00 0.00 C ATOM 129 CD LYS A 9 -13.412 0.350 -5.868 1.00 0.00 C ATOM 130 CE LYS A 9 -14.331 0.371 -7.077 1.00 0.00 C ATOM 131 NZ LYS A 9 -14.834 1.740 -7.362 1.00 0.00 N ATOM 0 H LYS A 9 -13.263 -3.061 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.681 -2.711 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.510 -0.724 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.127 -0.297 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.218 -1.309 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.596 -1.763 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.972 0.646 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.617 1.083 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.796 -0.008 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.174 -0.298 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.458 1.714 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.366 2.092 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.031 2.373 -7.551 1.00 0.00 H new ATOM 145 N VAL A 10 -10.986 -2.232 -1.705 1.00 0.00 N ATOM 146 CA VAL A 10 -10.245 -2.071 -0.456 1.00 0.00 C ATOM 147 C VAL A 10 -9.203 -3.174 -0.304 1.00 0.00 C ATOM 148 O VAL A 10 -8.016 -2.906 -0.123 1.00 0.00 O ATOM 149 CB VAL A 10 -11.162 -2.123 0.789 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.427 -1.605 2.010 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.446 -1.345 0.595 1.00 0.00 C ATOM 0 H VAL A 10 -11.995 -2.321 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.774 -1.090 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.432 -3.168 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.086 -1.648 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.546 -2.220 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.120 -0.573 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.053 -1.414 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.211 -0.300 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.000 -1.761 -0.247 1.00 0.00 H new ATOM 161 N GLU A 11 -9.657 -4.418 -0.404 1.00 0.00 N ATOM 162 CA GLU A 11 -8.800 -5.573 -0.165 1.00 0.00 C ATOM 163 C GLU A 11 -7.746 -5.703 -1.268 1.00 0.00 C ATOM 164 O GLU A 11 -6.655 -6.210 -1.033 1.00 0.00 O ATOM 165 CB GLU A 11 -9.662 -6.840 -0.083 1.00 0.00 C ATOM 166 CG GLU A 11 -9.057 -7.979 0.733 1.00 0.00 C ATOM 167 CD GLU A 11 -7.875 -8.651 0.060 1.00 0.00 C ATOM 168 OE1 GLU A 11 -8.084 -9.338 -0.963 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.741 -8.501 0.564 1.00 0.00 O ATOM 0 H GLU A 11 -10.619 -4.653 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.275 -5.438 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.628 -6.577 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.852 -7.199 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.740 -7.592 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.827 -8.726 0.925 1.00 0.00 H new ATOM 176 N GLU A 12 -8.066 -5.245 -2.470 1.00 0.00 N ATOM 177 CA GLU A 12 -7.096 -5.248 -3.561 1.00 0.00 C ATOM 178 C GLU A 12 -5.946 -4.305 -3.241 1.00 0.00 C ATOM 179 O GLU A 12 -4.777 -4.644 -3.427 1.00 0.00 O ATOM 180 CB GLU A 12 -7.752 -4.855 -4.882 1.00 0.00 C ATOM 181 CG GLU A 12 -8.670 -5.923 -5.445 1.00 0.00 C ATOM 182 CD GLU A 12 -9.335 -5.496 -6.736 1.00 0.00 C ATOM 183 OE1 GLU A 12 -10.375 -4.811 -6.665 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.816 -5.848 -7.816 1.00 0.00 O ATOM 0 H GLU A 12 -8.982 -4.869 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.707 -6.260 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.322 -3.938 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.974 -4.634 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.098 -6.834 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.436 -6.164 -4.708 1.00 0.00 H new ATOM 191 N LEU A 13 -6.283 -3.128 -2.732 1.00 0.00 N ATOM 192 CA LEU A 13 -5.271 -2.187 -2.283 1.00 0.00 C ATOM 193 C LEU A 13 -4.593 -2.712 -1.028 1.00 0.00 C ATOM 194 O LEU A 13 -3.457 -2.361 -0.737 1.00 0.00 O ATOM 195 CB LEU A 13 -5.879 -0.812 -2.012 1.00 0.00 C ATOM 196 CG LEU A 13 -6.447 -0.096 -3.237 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.972 1.271 -2.847 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.394 0.031 -4.327 1.00 0.00 C ATOM 0 H LEU A 13 -7.244 -2.805 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.530 -2.081 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.675 -0.924 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.115 -0.177 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.272 -0.690 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.374 1.771 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.760 1.159 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.160 1.867 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.822 0.544 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.546 0.602 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.058 -0.962 -4.626 1.00 0.00 H new ATOM 210 N LEU A 14 -5.308 -3.550 -0.288 1.00 0.00 N ATOM 211 CA LEU A 14 -4.759 -4.205 0.890 1.00 0.00 C ATOM 212 C LEU A 14 -3.680 -5.201 0.476 1.00 0.00 C ATOM 213 O LEU A 14 -2.676 -5.374 1.163 1.00 0.00 O ATOM 214 CB LEU A 14 -5.868 -4.938 1.642 1.00 0.00 C ATOM 215 CG LEU A 14 -5.557 -5.286 3.099 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.489 -4.028 3.949 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.601 -6.246 3.647 1.00 0.00 C ATOM 0 H LEU A 14 -6.279 -3.793 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.320 -3.449 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.768 -4.323 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.098 -5.860 1.108 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.583 -5.774 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.267 -4.298 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.705 -3.374 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.447 -3.509 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.367 -6.485 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.586 -5.781 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.600 -7.161 3.055 1.00 0.00 H new ATOM 229 N SER A 15 -3.906 -5.853 -0.653 1.00 0.00 N ATOM 230 CA SER A 15 -2.950 -6.795 -1.208 1.00 0.00 C ATOM 231 C SER A 15 -1.729 -6.043 -1.717 1.00 0.00 C ATOM 232 O SER A 15 -0.598 -6.521 -1.600 1.00 0.00 O ATOM 233 CB SER A 15 -3.593 -7.599 -2.340 1.00 0.00 C ATOM 234 OG SER A 15 -4.781 -8.240 -1.897 1.00 0.00 O ATOM 0 H SER A 15 -4.755 -5.744 -1.208 1.00 0.00 H new ATOM 0 HA SER A 15 -2.639 -7.490 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.822 -6.938 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.888 -8.345 -2.707 1.00 0.00 H new ATOM 0 HG SER A 15 -5.449 -7.563 -1.659 1.00 0.00 H new ATOM 240 N LYS A 16 -1.961 -4.858 -2.273 1.00 0.00 N ATOM 241 CA LYS A 16 -0.866 -3.985 -2.647 1.00 0.00 C ATOM 242 C LYS A 16 -0.163 -3.476 -1.400 1.00 0.00 C ATOM 243 O LYS A 16 1.055 -3.377 -1.377 1.00 0.00 O ATOM 244 CB LYS A 16 -1.337 -2.811 -3.508 1.00 0.00 C ATOM 245 CG LYS A 16 -1.745 -3.210 -4.920 1.00 0.00 C ATOM 246 CD LYS A 16 -2.459 -2.082 -5.661 1.00 0.00 C ATOM 247 CE LYS A 16 -1.643 -0.793 -5.706 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.260 -1.013 -6.212 1.00 0.00 N ATOM 0 H LYS A 16 -2.890 -4.487 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.167 -4.567 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.183 -2.329 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.538 -2.071 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.859 -3.506 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.398 -4.081 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.677 -2.404 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.415 -1.884 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.149 -0.068 -6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.597 -0.361 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.197 -0.095 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.288 -1.545 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.297 -1.553 -7.100 1.00 0.00 H new ATOM 262 N ASN A 17 -0.935 -3.182 -0.352 1.00 0.00 N ATOM 263 CA ASN A 17 -0.362 -2.793 0.933 1.00 0.00 C ATOM 264 C ASN A 17 0.532 -3.901 1.447 1.00 0.00 C ATOM 265 O ASN A 17 1.587 -3.646 2.021 1.00 0.00 O ATOM 266 CB ASN A 17 -1.448 -2.487 1.968 1.00 0.00 C ATOM 267 CG ASN A 17 -1.818 -1.019 2.020 1.00 0.00 C ATOM 268 OD1 ASN A 17 -1.215 -0.244 2.753 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.816 -0.627 1.251 1.00 0.00 N ATOM 0 H ASN A 17 -1.955 -3.206 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 17 0.220 -1.884 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.338 -3.073 1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.104 -2.805 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.109 0.350 1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.295 -1.301 0.654 1.00 0.00 H new ATOM 276 N TYR A 18 0.104 -5.138 1.236 1.00 0.00 N ATOM 277 CA TYR A 18 0.935 -6.283 1.572 1.00 0.00 C ATOM 278 C TYR A 18 2.230 -6.237 0.762 1.00 0.00 C ATOM 279 O TYR A 18 3.323 -6.264 1.320 1.00 0.00 O ATOM 280 CB TYR A 18 0.180 -7.587 1.303 1.00 0.00 C ATOM 281 CG TYR A 18 0.962 -8.835 1.649 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.990 -9.320 2.949 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.666 -9.532 0.675 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.697 -10.463 3.269 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.375 -10.674 0.987 1.00 0.00 C ATOM 286 CZ TYR A 18 2.388 -11.135 2.284 1.00 0.00 C ATOM 287 OH TYR A 18 3.090 -12.277 2.597 1.00 0.00 O ATOM 0 H TYR A 18 -0.805 -5.372 0.837 1.00 0.00 H new ATOM 0 HA TYR A 18 1.181 -6.244 2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.748 -7.582 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.096 -7.624 0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.450 -8.795 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.658 -9.174 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.708 -10.828 4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.917 -11.203 0.217 1.00 0.00 H new ATOM 0 HH TYR A 18 3.520 -12.629 1.789 1.00 0.00 H new ATOM 297 N HIS A 19 2.083 -6.126 -0.555 1.00 0.00 N ATOM 298 CA HIS A 19 3.221 -6.123 -1.472 1.00 0.00 C ATOM 299 C HIS A 19 4.185 -4.971 -1.175 1.00 0.00 C ATOM 300 O HIS A 19 5.382 -5.190 -1.000 1.00 0.00 O ATOM 301 CB HIS A 19 2.723 -6.035 -2.918 1.00 0.00 C ATOM 302 CG HIS A 19 3.816 -6.044 -3.944 1.00 0.00 C ATOM 303 ND1 HIS A 19 3.980 -5.043 -4.875 1.00 0.00 N ATOM 304 CD2 HIS A 19 4.795 -6.947 -4.191 1.00 0.00 C ATOM 305 CE1 HIS A 19 5.009 -5.327 -5.650 1.00 0.00 C ATOM 306 NE2 HIS A 19 5.521 -6.476 -5.255 1.00 0.00 N ATOM 0 H HIS A 19 1.177 -6.036 -1.016 1.00 0.00 H new ATOM 0 HA HIS A 19 3.768 -7.055 -1.331 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.051 -6.872 -3.111 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.138 -5.123 -3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.971 -7.866 -3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.370 -4.722 -6.468 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.327 -6.940 -5.673 1.00 0.00 H new ATOM 315 N LEU A 20 3.656 -3.751 -1.126 1.00 0.00 N ATOM 316 CA LEU A 20 4.471 -2.560 -0.888 1.00 0.00 C ATOM 317 C LEU A 20 5.180 -2.651 0.446 1.00 0.00 C ATOM 318 O LEU A 20 6.399 -2.569 0.513 1.00 0.00 O ATOM 319 CB LEU A 20 3.609 -1.300 -0.883 1.00 0.00 C ATOM 320 CG LEU A 20 2.706 -1.115 -2.085 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.074 0.261 -2.077 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.454 -1.364 -3.387 1.00 0.00 C ATOM 0 H LEU A 20 2.662 -3.560 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 20 5.201 -2.505 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.991 -1.309 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.266 -0.433 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 20 1.909 -1.856 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.430 0.371 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.481 0.384 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.855 1.020 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.776 -1.223 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.285 -0.664 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.837 -2.384 -3.397 1.00 0.00 H new ATOM 334 N GLU A 21 4.401 -2.825 1.502 1.00 0.00 N ATOM 335 CA GLU A 21 4.946 -2.846 2.859 1.00 0.00 C ATOM 336 C GLU A 21 5.990 -3.950 3.010 1.00 0.00 C ATOM 337 O GLU A 21 7.018 -3.751 3.658 1.00 0.00 O ATOM 338 CB GLU A 21 3.834 -3.037 3.893 1.00 0.00 C ATOM 339 CG GLU A 21 4.004 -2.193 5.152 1.00 0.00 C ATOM 340 CD GLU A 21 5.302 -2.464 5.890 1.00 0.00 C ATOM 341 OE1 GLU A 21 5.347 -3.430 6.678 1.00 0.00 O ATOM 342 OE2 GLU A 21 6.273 -1.706 5.679 1.00 0.00 O ATOM 0 H GLU A 21 3.390 -2.954 1.451 1.00 0.00 H new ATOM 0 HA GLU A 21 5.426 -1.883 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.877 -2.793 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.792 -4.089 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.962 -1.138 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.167 -2.383 5.823 1.00 0.00 H new ATOM 349 N ASN A 22 5.729 -5.107 2.411 1.00 0.00 N ATOM 350 CA ASN A 22 6.690 -6.205 2.446 1.00 0.00 C ATOM 351 C ASN A 22 7.930 -5.850 1.638 1.00 0.00 C ATOM 352 O ASN A 22 9.050 -6.206 2.011 1.00 0.00 O ATOM 353 CB ASN A 22 6.079 -7.505 1.914 1.00 0.00 C ATOM 354 CG ASN A 22 5.218 -8.230 2.937 1.00 0.00 C ATOM 355 OD1 ASN A 22 5.144 -9.459 2.932 1.00 0.00 O ATOM 356 ND2 ASN A 22 4.560 -7.487 3.813 1.00 0.00 N ATOM 0 H ASN A 22 4.869 -5.309 1.900 1.00 0.00 H new ATOM 0 HA ASN A 22 6.970 -6.363 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.475 -7.281 1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.881 -8.168 1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.967 -7.931 4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.646 -6.471 3.786 1.00 0.00 H new ATOM 363 N GLU A 23 7.732 -5.134 0.536 1.00 0.00 N ATOM 364 CA GLU A 23 8.850 -4.696 -0.286 1.00 0.00 C ATOM 365 C GLU A 23 9.684 -3.661 0.467 1.00 0.00 C ATOM 366 O GLU A 23 10.914 -3.695 0.420 1.00 0.00 O ATOM 367 CB GLU A 23 8.351 -4.119 -1.614 1.00 0.00 C ATOM 368 CG GLU A 23 9.461 -3.844 -2.617 1.00 0.00 C ATOM 369 CD GLU A 23 10.221 -5.099 -3.009 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.212 -5.429 -2.328 1.00 0.00 O ATOM 371 OE2 GLU A 23 9.826 -5.748 -3.997 1.00 0.00 O ATOM 0 H GLU A 23 6.814 -4.847 0.195 1.00 0.00 H new ATOM 0 HA GLU A 23 9.478 -5.559 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.637 -4.814 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.813 -3.192 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.033 -3.389 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.157 -3.120 -2.193 1.00 0.00 H new ATOM 378 N VAL A 24 9.003 -2.754 1.169 1.00 0.00 N ATOM 379 CA VAL A 24 9.677 -1.762 2.002 1.00 0.00 C ATOM 380 C VAL A 24 10.539 -2.461 3.045 1.00 0.00 C ATOM 381 O VAL A 24 11.717 -2.154 3.196 1.00 0.00 O ATOM 382 CB VAL A 24 8.682 -0.835 2.744 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.431 0.190 3.581 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.747 -0.134 1.776 1.00 0.00 C ATOM 0 H VAL A 24 7.985 -2.687 1.176 1.00 0.00 H new ATOM 0 HA VAL A 24 10.284 -1.153 1.332 1.00 0.00 H new ATOM 0 HB VAL A 24 8.079 -1.460 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.716 0.832 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.051 -0.323 4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.063 0.797 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.063 0.508 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.329 0.471 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.176 -0.877 1.219 1.00 0.00 H new ATOM 394 N ALA A 25 9.935 -3.418 3.743 1.00 0.00 N ATOM 395 CA ALA A 25 10.618 -4.157 4.796 1.00 0.00 C ATOM 396 C ALA A 25 11.852 -4.873 4.258 1.00 0.00 C ATOM 397 O ALA A 25 12.882 -4.942 4.931 1.00 0.00 O ATOM 398 CB ALA A 25 9.664 -5.156 5.436 1.00 0.00 C ATOM 0 H ALA A 25 8.966 -3.700 3.595 1.00 0.00 H new ATOM 0 HA ALA A 25 10.948 -3.444 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.184 -5.704 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.815 -4.624 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.309 -5.856 4.680 1.00 0.00 H new ATOM 404 N ARG A 26 11.743 -5.403 3.048 1.00 0.00 N ATOM 405 CA ARG A 26 12.864 -6.083 2.414 1.00 0.00 C ATOM 406 C ARG A 26 13.978 -5.088 2.112 1.00 0.00 C ATOM 407 O ARG A 26 15.125 -5.292 2.503 1.00 0.00 O ATOM 408 CB ARG A 26 12.415 -6.784 1.128 1.00 0.00 C ATOM 409 CG ARG A 26 13.524 -7.567 0.440 1.00 0.00 C ATOM 410 CD ARG A 26 14.033 -8.703 1.314 1.00 0.00 C ATOM 411 NE ARG A 26 15.152 -9.407 0.693 1.00 0.00 N ATOM 412 CZ ARG A 26 15.790 -10.435 1.250 1.00 0.00 C ATOM 413 NH1 ARG A 26 15.404 -10.903 2.431 1.00 0.00 N ATOM 414 NH2 ARG A 26 16.812 -10.998 0.619 1.00 0.00 N ATOM 0 H ARG A 26 10.892 -5.376 2.487 1.00 0.00 H new ATOM 0 HA ARG A 26 13.243 -6.839 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.594 -7.462 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.025 -6.038 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.154 -7.970 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.348 -6.896 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.345 -8.306 2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.222 -9.406 1.505 1.00 0.00 H new ATOM 0 HE ARG A 26 15.465 -9.091 -0.225 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.615 -10.475 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.896 -11.690 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.108 -10.644 -0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.302 -11.785 1.043 1.00 0.00 H new ATOM 428 N LEU A 27 13.624 -4.002 1.436 1.00 0.00 N ATOM 429 CA LEU A 27 14.585 -2.958 1.091 1.00 0.00 C ATOM 430 C LEU A 27 15.206 -2.352 2.342 1.00 0.00 C ATOM 431 O LEU A 27 16.391 -2.025 2.364 1.00 0.00 O ATOM 432 CB LEU A 27 13.909 -1.855 0.278 1.00 0.00 C ATOM 433 CG LEU A 27 13.965 -2.000 -1.250 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.705 -3.433 -1.686 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.957 -1.072 -1.903 1.00 0.00 C ATOM 0 H LEU A 27 12.674 -3.820 1.114 1.00 0.00 H new ATOM 0 HA LEU A 27 15.372 -3.418 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.862 -1.802 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.366 -0.903 0.548 1.00 0.00 H new ATOM 0 HG LEU A 27 14.970 -1.727 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.753 -3.497 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.459 -4.088 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.716 -3.743 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.007 -1.185 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.954 -1.323 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.185 -0.040 -1.635 1.00 0.00 H new ATOM 447 N LYS A 28 14.398 -2.215 3.385 1.00 0.00 N ATOM 448 CA LYS A 28 14.852 -1.623 4.633 1.00 0.00 C ATOM 449 C LYS A 28 15.934 -2.481 5.281 1.00 0.00 C ATOM 450 O LYS A 28 16.758 -1.979 6.043 1.00 0.00 O ATOM 451 CB LYS A 28 13.675 -1.442 5.597 1.00 0.00 C ATOM 452 CG LYS A 28 13.998 -0.639 6.855 1.00 0.00 C ATOM 453 CD LYS A 28 14.226 0.841 6.558 1.00 0.00 C ATOM 454 CE LYS A 28 15.690 1.168 6.280 1.00 0.00 C ATOM 455 NZ LYS A 28 16.567 0.847 7.436 1.00 0.00 N ATOM 0 H LYS A 28 13.421 -2.508 3.390 1.00 0.00 H new ATOM 0 HA LYS A 28 15.278 -0.645 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.861 -0.948 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.311 -2.426 5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.180 -0.742 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.888 -1.053 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.624 1.131 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.880 1.435 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.025 0.610 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.784 2.227 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.006 1.720 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.000 0.411 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.310 0.184 7.135 1.00 0.00 H new ATOM 469 N LYS A 29 15.927 -3.775 4.974 1.00 0.00 N ATOM 470 CA LYS A 29 16.946 -4.682 5.483 1.00 0.00 C ATOM 471 C LYS A 29 18.240 -4.529 4.693 1.00 0.00 C ATOM 472 O LYS A 29 19.334 -4.681 5.236 1.00 0.00 O ATOM 473 CB LYS A 29 16.456 -6.129 5.426 1.00 0.00 C ATOM 474 CG LYS A 29 15.266 -6.392 6.329 1.00 0.00 C ATOM 475 CD LYS A 29 14.800 -7.832 6.236 1.00 0.00 C ATOM 476 CE LYS A 29 13.628 -8.093 7.167 1.00 0.00 C ATOM 477 NZ LYS A 29 12.470 -7.211 6.864 1.00 0.00 N ATOM 0 H LYS A 29 15.228 -4.216 4.377 1.00 0.00 H new ATOM 0 HA LYS A 29 17.143 -4.425 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.186 -6.374 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.272 -6.794 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.534 -6.162 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.447 -5.726 6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.509 -8.057 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.623 -8.500 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.322 -9.136 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.943 -7.937 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.373 -6.496 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.624 -6.738 5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.602 -7.782 6.816 1.00 0.00 H new ATOM 491 N LEU A 30 18.110 -4.223 3.410 1.00 0.00 N ATOM 492 CA LEU A 30 19.268 -3.950 2.568 1.00 0.00 C ATOM 493 C LEU A 30 19.860 -2.598 2.940 1.00 0.00 C ATOM 494 O LEU A 30 21.078 -2.414 2.950 1.00 0.00 O ATOM 495 CB LEU A 30 18.889 -3.989 1.082 1.00 0.00 C ATOM 496 CG LEU A 30 18.808 -5.390 0.455 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.715 -6.229 1.096 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.584 -5.289 -1.044 1.00 0.00 C ATOM 0 H LEU A 30 17.213 -4.157 2.928 1.00 0.00 H new ATOM 0 HA LEU A 30 20.016 -4.725 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.923 -3.499 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.618 -3.402 0.524 1.00 0.00 H new ATOM 0 HG LEU A 30 19.760 -5.888 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.688 -7.212 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.919 -6.341 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.752 -5.736 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.529 -6.290 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.651 -4.760 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.411 -4.744 -1.500 1.00 0.00 H new ATOM 510 N VAL A 31 18.985 -1.660 3.275 1.00 0.00 N ATOM 511 CA VAL A 31 19.402 -0.379 3.823 1.00 0.00 C ATOM 512 C VAL A 31 19.428 -0.488 5.350 1.00 0.00 C ATOM 513 O VAL A 31 19.166 0.469 6.081 1.00 0.00 O ATOM 514 CB VAL A 31 18.459 0.770 3.387 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.077 2.127 3.688 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.119 0.662 1.909 1.00 0.00 C ATOM 0 H VAL A 31 17.975 -1.765 3.175 1.00 0.00 H new ATOM 0 HA VAL A 31 20.394 -0.141 3.440 1.00 0.00 H new ATOM 0 HB VAL A 31 17.537 0.678 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.394 2.916 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.261 2.214 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.019 2.225 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.456 1.480 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.034 0.718 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.623 -0.290 1.718 1.00 0.00 H new ATOM 526 N GLY A 32 19.727 -1.688 5.821 1.00 0.00 N ATOM 527 CA GLY A 32 19.763 -1.951 7.240 1.00 0.00 C ATOM 528 C GLY A 32 21.017 -2.691 7.647 1.00 0.00 C ATOM 529 O GLY A 32 21.745 -2.252 8.537 1.00 0.00 O ATOM 0 H GLY A 32 19.948 -2.493 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.705 -1.009 7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.888 -2.537 7.522 1.00 0.00 H new ATOM 533 N GLU A 33 21.266 -3.818 6.995 1.00 0.00 N ATOM 534 CA GLU A 33 22.449 -4.617 7.262 1.00 0.00 C ATOM 535 C GLU A 33 23.287 -4.747 5.992 1.00 0.00 C ATOM 536 O GLU A 33 22.984 -5.623 5.157 1.00 0.00 O ATOM 537 CB GLU A 33 22.047 -6.000 7.789 1.00 0.00 C ATOM 538 CG GLU A 33 23.218 -6.861 8.245 1.00 0.00 C ATOM 539 CD GLU A 33 23.954 -6.274 9.436 1.00 0.00 C ATOM 540 OE1 GLU A 33 23.504 -6.495 10.579 1.00 0.00 O ATOM 541 OE2 GLU A 33 24.983 -5.600 9.227 1.00 0.00 O ATOM 542 OXT GLU A 33 24.241 -3.960 5.828 1.00 0.00 O ATOM 0 H GLU A 33 20.657 -4.200 6.271 1.00 0.00 H new ATOM 0 HA GLU A 33 23.049 -4.121 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 33 21.358 -5.872 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 33 21.504 -6.530 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 33 22.853 -7.855 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 33 23.916 -6.984 7.417 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -23.528 3.075 6.522 1.00 0.00 N ATOM 551 CA GLY B 1 -23.792 2.766 5.096 1.00 0.00 C ATOM 552 C GLY B 1 -22.574 2.184 4.414 1.00 0.00 C ATOM 553 O GLY B 1 -21.545 1.966 5.056 1.00 0.00 O ATOM 0 H1 GLY B 1 -24.201 2.554 7.120 1.00 0.00 H new ATOM 0 H2 GLY B 1 -22.557 2.792 6.765 1.00 0.00 H new ATOM 0 H3 GLY B 1 -23.641 4.096 6.683 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -24.621 2.062 5.024 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.100 3.674 4.578 1.00 0.00 H new ATOM 559 N SER B 2 -22.674 1.952 3.118 1.00 0.00 N ATOM 560 CA SER B 2 -21.585 1.352 2.370 1.00 0.00 C ATOM 561 C SER B 2 -20.698 2.402 1.699 1.00 0.00 C ATOM 562 O SER B 2 -19.547 2.578 2.099 1.00 0.00 O ATOM 563 CB SER B 2 -22.154 0.384 1.334 1.00 0.00 C ATOM 564 OG SER B 2 -23.310 0.928 0.721 1.00 0.00 O ATOM 0 H SER B 2 -23.500 2.170 2.561 1.00 0.00 H new ATOM 0 HA SER B 2 -20.952 0.808 3.071 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.400 0.171 0.576 1.00 0.00 H new ATOM 0 HB3 SER B 2 -22.402 -0.564 1.812 1.00 0.00 H new ATOM 0 HG SER B 2 -23.043 1.557 0.019 1.00 0.00 H new ATOM 570 N MET B 3 -21.255 3.113 0.716 1.00 0.00 N ATOM 571 CA MET B 3 -20.487 4.001 -0.171 1.00 0.00 C ATOM 572 C MET B 3 -19.396 4.799 0.547 1.00 0.00 C ATOM 573 O MET B 3 -18.221 4.638 0.246 1.00 0.00 O ATOM 574 CB MET B 3 -21.408 4.971 -0.926 1.00 0.00 C ATOM 575 CG MET B 3 -22.276 4.315 -1.991 1.00 0.00 C ATOM 576 SD MET B 3 -23.591 3.291 -1.306 1.00 0.00 S ATOM 577 CE MET B 3 -24.357 2.694 -2.809 1.00 0.00 C ATOM 0 H MET B 3 -22.254 3.092 0.509 1.00 0.00 H new ATOM 0 HA MET B 3 -19.991 3.334 -0.876 1.00 0.00 H new ATOM 0 HB2 MET B 3 -22.055 5.473 -0.206 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.797 5.741 -1.397 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.717 5.090 -2.618 1.00 0.00 H new ATOM 0 HG3 MET B 3 -21.647 3.702 -2.636 1.00 0.00 H new ATOM 0 HE1 MET B 3 -24.908 1.777 -2.597 1.00 0.00 H new ATOM 0 HE2 MET B 3 -25.043 3.449 -3.192 1.00 0.00 H new ATOM 0 HE3 MET B 3 -23.587 2.491 -3.554 1.00 0.00 H new ATOM 587 N LYS B 4 -19.764 5.623 1.517 1.00 0.00 N ATOM 588 CA LYS B 4 -18.814 6.584 2.082 1.00 0.00 C ATOM 589 C LYS B 4 -17.845 5.933 3.060 1.00 0.00 C ATOM 590 O LYS B 4 -16.803 6.497 3.372 1.00 0.00 O ATOM 591 CB LYS B 4 -19.532 7.742 2.781 1.00 0.00 C ATOM 592 CG LYS B 4 -20.187 8.738 1.831 1.00 0.00 C ATOM 593 CD LYS B 4 -21.511 8.230 1.279 1.00 0.00 C ATOM 594 CE LYS B 4 -22.598 8.215 2.344 1.00 0.00 C ATOM 595 NZ LYS B 4 -22.880 9.574 2.874 1.00 0.00 N ATOM 0 H LYS B 4 -20.697 5.651 1.928 1.00 0.00 H new ATOM 0 HA LYS B 4 -18.244 6.972 1.238 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.295 7.334 3.444 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.816 8.273 3.408 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.352 9.680 2.354 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -19.508 8.947 1.004 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.825 8.862 0.448 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -21.377 7.224 0.882 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -23.511 7.794 1.923 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -22.294 7.563 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -23.803 9.575 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -22.138 9.843 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -22.896 10.256 2.089 1.00 0.00 H new ATOM 609 N GLN B 5 -18.172 4.742 3.517 1.00 0.00 N ATOM 610 CA GLN B 5 -17.380 4.077 4.540 1.00 0.00 C ATOM 611 C GLN B 5 -16.463 3.061 3.898 1.00 0.00 C ATOM 612 O GLN B 5 -15.291 2.957 4.252 1.00 0.00 O ATOM 613 CB GLN B 5 -18.272 3.406 5.594 1.00 0.00 C ATOM 614 CG GLN B 5 -18.913 4.387 6.570 1.00 0.00 C ATOM 615 CD GLN B 5 -19.975 5.262 5.932 1.00 0.00 C ATOM 616 OE1 GLN B 5 -20.145 6.422 6.304 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.719 4.706 4.993 1.00 0.00 N ATOM 0 H GLN B 5 -18.982 4.211 3.198 1.00 0.00 H new ATOM 0 HA GLN B 5 -16.780 4.831 5.050 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.058 2.845 5.088 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -17.677 2.686 6.155 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.358 3.830 7.394 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -18.137 5.022 6.997 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -20.547 3.741 4.711 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -21.465 5.242 4.550 1.00 0.00 H new ATOM 626 N LEU B 6 -17.000 2.334 2.934 1.00 0.00 N ATOM 627 CA LEU B 6 -16.215 1.375 2.189 1.00 0.00 C ATOM 628 C LEU B 6 -15.216 2.119 1.321 1.00 0.00 C ATOM 629 O LEU B 6 -14.038 1.781 1.307 1.00 0.00 O ATOM 630 CB LEU B 6 -17.113 0.475 1.335 1.00 0.00 C ATOM 631 CG LEU B 6 -18.202 -0.284 2.103 1.00 0.00 C ATOM 632 CD1 LEU B 6 -18.966 -1.216 1.177 1.00 0.00 C ATOM 633 CD2 LEU B 6 -17.599 -1.060 3.266 1.00 0.00 C ATOM 0 H LEU B 6 -17.978 2.392 2.651 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.679 0.732 2.887 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.591 1.087 0.570 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.485 -0.250 0.817 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.904 0.446 2.506 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -19.733 -1.744 1.744 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.436 -0.635 0.383 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -18.277 -1.938 0.739 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -18.389 -1.591 3.797 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -16.871 -1.777 2.886 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -17.105 -0.368 3.948 1.00 0.00 H new ATOM 645 N GLU B 7 -15.684 3.160 0.627 1.00 0.00 N ATOM 646 CA GLU B 7 -14.790 3.984 -0.183 1.00 0.00 C ATOM 647 C GLU B 7 -13.780 4.715 0.696 1.00 0.00 C ATOM 648 O GLU B 7 -12.643 4.941 0.274 1.00 0.00 O ATOM 649 CB GLU B 7 -15.561 4.988 -1.040 1.00 0.00 C ATOM 650 CG GLU B 7 -16.377 4.343 -2.147 1.00 0.00 C ATOM 651 CD GLU B 7 -17.081 5.363 -3.021 1.00 0.00 C ATOM 652 OE1 GLU B 7 -16.590 5.623 -4.138 1.00 0.00 O ATOM 653 OE2 GLU B 7 -18.120 5.902 -2.586 1.00 0.00 O ATOM 0 H GLU B 7 -16.663 3.447 0.610 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.256 3.311 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.227 5.565 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.856 5.692 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.722 3.730 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -17.117 3.675 -1.706 1.00 0.00 H new ATOM 660 N ASP B 8 -14.187 5.091 1.915 1.00 0.00 N ATOM 661 CA ASP B 8 -13.236 5.668 2.866 1.00 0.00 C ATOM 662 C ASP B 8 -12.082 4.706 3.118 1.00 0.00 C ATOM 663 O ASP B 8 -10.919 5.102 3.088 1.00 0.00 O ATOM 664 CB ASP B 8 -13.909 6.026 4.191 1.00 0.00 C ATOM 665 CG ASP B 8 -14.190 7.513 4.315 1.00 0.00 C ATOM 666 OD1 ASP B 8 -14.499 8.147 3.285 1.00 0.00 O ATOM 667 OD2 ASP B 8 -14.108 8.041 5.442 1.00 0.00 O ATOM 0 H ASP B 8 -15.144 5.008 2.258 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.850 6.586 2.423 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.844 5.474 4.281 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.271 5.710 5.016 1.00 0.00 H new ATOM 672 N LYS B 9 -12.412 3.440 3.343 1.00 0.00 N ATOM 673 CA LYS B 9 -11.407 2.413 3.596 1.00 0.00 C ATOM 674 C LYS B 9 -10.451 2.277 2.414 1.00 0.00 C ATOM 675 O LYS B 9 -9.234 2.188 2.599 1.00 0.00 O ATOM 676 CB LYS B 9 -12.070 1.060 3.867 1.00 0.00 C ATOM 677 CG LYS B 9 -13.002 1.045 5.066 1.00 0.00 C ATOM 678 CD LYS B 9 -13.632 -0.325 5.247 1.00 0.00 C ATOM 679 CE LYS B 9 -14.597 -0.349 6.419 1.00 0.00 C ATOM 680 NZ LYS B 9 -15.120 -1.717 6.669 1.00 0.00 N ATOM 0 H LYS B 9 -13.373 3.098 3.356 1.00 0.00 H new ATOM 0 HA LYS B 9 -10.841 2.720 4.476 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -12.632 0.761 2.982 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.292 0.312 4.018 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.449 1.317 5.965 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.783 1.794 4.934 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.159 -0.606 4.336 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -12.850 -1.067 5.405 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -14.093 0.018 7.313 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -15.428 0.328 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -15.776 -1.696 7.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -15.622 -2.057 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -14.329 -2.357 6.882 1.00 0.00 H new ATOM 694 N VAL B 10 -11.014 2.268 1.206 1.00 0.00 N ATOM 695 CA VAL B 10 -10.224 2.110 -0.014 1.00 0.00 C ATOM 696 C VAL B 10 -9.169 3.206 -0.115 1.00 0.00 C ATOM 697 O VAL B 10 -7.977 2.932 -0.247 1.00 0.00 O ATOM 698 CB VAL B 10 -11.091 2.179 -1.295 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.315 1.661 -2.488 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.388 1.409 -1.158 1.00 0.00 C ATOM 0 H VAL B 10 -12.016 2.369 1.046 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.762 1.125 0.053 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.344 3.228 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.939 1.717 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.421 2.268 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.025 0.625 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -12.958 1.490 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.169 0.360 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -12.971 1.822 -0.335 1.00 0.00 H new ATOM 710 N GLU B 11 -9.616 4.453 -0.025 1.00 0.00 N ATOM 711 CA GLU B 11 -8.741 5.603 -0.218 1.00 0.00 C ATOM 712 C GLU B 11 -7.731 5.712 0.929 1.00 0.00 C ATOM 713 O GLU B 11 -6.627 6.210 0.743 1.00 0.00 O ATOM 714 CB GLU B 11 -9.586 6.878 -0.324 1.00 0.00 C ATOM 715 CG GLU B 11 -8.940 8.016 -1.109 1.00 0.00 C ATOM 716 CD GLU B 11 -7.781 8.682 -0.387 1.00 0.00 C ATOM 717 OE1 GLU B 11 -8.030 9.363 0.629 1.00 0.00 O ATOM 718 OE2 GLU B 11 -6.629 8.530 -0.846 1.00 0.00 O ATOM 0 H GLU B 11 -10.585 4.694 0.182 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.180 5.473 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.537 6.627 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -9.810 7.232 0.682 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -8.586 7.630 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -9.698 8.768 -1.330 1.00 0.00 H new ATOM 725 N GLU B 12 -8.104 5.248 2.114 1.00 0.00 N ATOM 726 CA GLU B 12 -7.181 5.236 3.244 1.00 0.00 C ATOM 727 C GLU B 12 -6.027 4.286 2.966 1.00 0.00 C ATOM 728 O GLU B 12 -4.864 4.611 3.216 1.00 0.00 O ATOM 729 CB GLU B 12 -7.892 4.835 4.535 1.00 0.00 C ATOM 730 CG GLU B 12 -8.826 5.906 5.071 1.00 0.00 C ATOM 731 CD GLU B 12 -9.540 5.473 6.335 1.00 0.00 C ATOM 732 OE1 GLU B 12 -10.584 4.796 6.225 1.00 0.00 O ATOM 733 OE2 GLU B 12 -9.059 5.814 7.434 1.00 0.00 O ATOM 0 H GLU B 12 -9.032 4.877 2.319 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.792 6.246 3.373 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.462 3.923 4.358 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -7.145 4.602 5.294 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.256 6.813 5.272 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.564 6.155 4.308 1.00 0.00 H new ATOM 740 N LEU B 13 -6.350 3.117 2.429 1.00 0.00 N ATOM 741 CA LEU B 13 -5.329 2.169 2.016 1.00 0.00 C ATOM 742 C LEU B 13 -4.595 2.698 0.795 1.00 0.00 C ATOM 743 O LEU B 13 -3.448 2.343 0.552 1.00 0.00 O ATOM 744 CB LEU B 13 -5.939 0.801 1.709 1.00 0.00 C ATOM 745 CG LEU B 13 -6.563 0.083 2.904 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.084 -1.276 2.484 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.555 -0.062 4.034 1.00 0.00 C ATOM 0 H LEU B 13 -7.308 2.805 2.270 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.623 2.048 2.838 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.703 0.926 0.941 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.164 0.162 1.286 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.398 0.682 3.268 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.526 -1.778 3.345 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.840 -1.152 1.708 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.261 -1.877 2.097 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.022 -0.576 4.874 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.699 -0.639 3.686 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.221 0.925 4.353 1.00 0.00 H new ATOM 759 N LEU B 14 -5.272 3.546 0.031 1.00 0.00 N ATOM 760 CA LEU B 14 -4.672 4.207 -1.121 1.00 0.00 C ATOM 761 C LEU B 14 -3.601 5.189 -0.656 1.00 0.00 C ATOM 762 O LEU B 14 -2.564 5.347 -1.293 1.00 0.00 O ATOM 763 CB LEU B 14 -5.745 4.957 -1.911 1.00 0.00 C ATOM 764 CG LEU B 14 -5.370 5.314 -3.350 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.277 4.060 -4.206 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.383 6.287 -3.934 1.00 0.00 C ATOM 0 H LEU B 14 -6.248 3.794 0.191 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.216 3.453 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.650 4.350 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -5.989 5.876 -1.378 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.392 5.795 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.009 4.335 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.515 3.396 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.240 3.549 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.103 6.532 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.372 5.830 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.400 7.197 -3.335 1.00 0.00 H new ATOM 778 N SER B 15 -3.867 5.836 0.467 1.00 0.00 N ATOM 779 CA SER B 15 -2.925 6.763 1.068 1.00 0.00 C ATOM 780 C SER B 15 -1.734 5.998 1.624 1.00 0.00 C ATOM 781 O SER B 15 -0.597 6.467 1.571 1.00 0.00 O ATOM 782 CB SER B 15 -3.609 7.567 2.175 1.00 0.00 C ATOM 783 OG SER B 15 -4.775 8.210 1.688 1.00 0.00 O ATOM 0 H SER B 15 -4.739 5.733 0.985 1.00 0.00 H new ATOM 0 HA SER B 15 -2.572 7.458 0.306 1.00 0.00 H new ATOM 0 HB2 SER B 15 -3.872 6.906 3.001 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.917 8.311 2.570 1.00 0.00 H new ATOM 0 HG SER B 15 -5.440 7.535 1.438 1.00 0.00 H new ATOM 789 N LYS B 16 -1.999 4.808 2.155 1.00 0.00 N ATOM 790 CA LYS B 16 -0.926 3.924 2.570 1.00 0.00 C ATOM 791 C LYS B 16 -0.179 3.416 1.348 1.00 0.00 C ATOM 792 O LYS B 16 1.038 3.304 1.377 1.00 0.00 O ATOM 793 CB LYS B 16 -1.444 2.750 3.402 1.00 0.00 C ATOM 794 CG LYS B 16 -1.906 3.145 4.799 1.00 0.00 C ATOM 795 CD LYS B 16 -2.656 2.017 5.504 1.00 0.00 C ATOM 796 CE LYS B 16 -1.852 0.721 5.567 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.489 0.923 6.128 1.00 0.00 N ATOM 0 H LYS B 16 -2.939 4.441 2.305 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.246 4.495 3.203 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -2.274 2.280 2.874 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -0.656 2.002 3.488 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -1.041 3.432 5.397 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -2.552 4.020 4.731 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.909 2.332 6.516 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.596 1.831 4.984 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -2.388 -0.006 6.177 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.770 0.299 4.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.034 -0.000 6.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.080 1.487 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.558 1.424 7.037 1.00 0.00 H new ATOM 811 N ASN B 17 -0.910 3.140 0.268 1.00 0.00 N ATOM 812 CA ASN B 17 -0.289 2.756 -0.993 1.00 0.00 C ATOM 813 C ASN B 17 0.637 3.857 -1.460 1.00 0.00 C ATOM 814 O ASN B 17 1.718 3.590 -1.978 1.00 0.00 O ATOM 815 CB ASN B 17 -1.336 2.471 -2.075 1.00 0.00 C ATOM 816 CG ASN B 17 -1.716 1.008 -2.158 1.00 0.00 C ATOM 817 OD1 ASN B 17 -1.090 0.234 -2.877 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.748 0.616 -1.434 1.00 0.00 N ATOM 0 H ASN B 17 -1.929 3.176 0.244 1.00 0.00 H new ATOM 0 HA ASN B 17 0.277 1.840 -0.823 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.229 3.062 -1.873 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.950 2.796 -3.041 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.049 -0.358 -1.461 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.244 1.287 -0.848 1.00 0.00 H new ATOM 825 N TYR B 18 0.209 5.097 -1.264 1.00 0.00 N ATOM 826 CA TYR B 18 1.061 6.238 -1.554 1.00 0.00 C ATOM 827 C TYR B 18 2.320 6.176 -0.692 1.00 0.00 C ATOM 828 O TYR B 18 3.438 6.201 -1.205 1.00 0.00 O ATOM 829 CB TYR B 18 0.305 7.546 -1.304 1.00 0.00 C ATOM 830 CG TYR B 18 1.110 8.790 -1.608 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.200 9.284 -2.903 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.778 9.475 -0.598 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.928 10.422 -3.183 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.510 10.614 -0.872 1.00 0.00 C ATOM 835 CZ TYR B 18 2.583 11.082 -2.166 1.00 0.00 C ATOM 836 OH TYR B 18 3.309 12.217 -2.444 1.00 0.00 O ATOM 0 H TYR B 18 -0.717 5.336 -0.908 1.00 0.00 H new ATOM 0 HA TYR B 18 1.350 6.206 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.599 7.553 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.012 7.577 -0.262 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.691 8.769 -3.704 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.723 9.110 0.417 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.984 10.794 -4.195 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.022 11.135 -0.076 1.00 0.00 H new ATOM 0 HH TYR B 18 3.708 12.561 -1.617 1.00 0.00 H new ATOM 846 N HIS B 19 2.121 6.057 0.617 1.00 0.00 N ATOM 847 CA HIS B 19 3.221 6.036 1.579 1.00 0.00 C ATOM 848 C HIS B 19 4.185 4.877 1.311 1.00 0.00 C ATOM 849 O HIS B 19 5.389 5.086 1.186 1.00 0.00 O ATOM 850 CB HIS B 19 2.664 5.942 3.004 1.00 0.00 C ATOM 851 CG HIS B 19 3.714 5.931 4.075 1.00 0.00 C ATOM 852 ND1 HIS B 19 3.835 4.917 5.002 1.00 0.00 N ATOM 853 CD2 HIS B 19 4.685 6.827 4.371 1.00 0.00 C ATOM 854 CE1 HIS B 19 4.834 5.190 5.821 1.00 0.00 C ATOM 855 NE2 HIS B 19 5.366 6.341 5.459 1.00 0.00 N ATOM 0 H HIS B 19 1.197 5.973 1.041 1.00 0.00 H new ATOM 0 HA HIS B 19 3.782 6.964 1.468 1.00 0.00 H new ATOM 0 HB2 HIS B 19 1.994 6.784 3.176 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.065 5.035 3.089 1.00 0.00 H new ATOM 0 HD2 HIS B 19 4.886 7.751 3.849 1.00 0.00 H new ATOM 0 HE1 HIS B 19 5.160 4.575 6.647 1.00 0.00 H new ATOM 0 HE2 HIS B 19 6.157 6.797 5.914 1.00 0.00 H new ATOM 864 N LEU B 20 3.648 3.664 1.229 1.00 0.00 N ATOM 865 CA LEU B 20 4.462 2.468 1.015 1.00 0.00 C ATOM 866 C LEU B 20 5.224 2.565 -0.287 1.00 0.00 C ATOM 867 O LEU B 20 6.444 2.472 -0.307 1.00 0.00 O ATOM 868 CB LEU B 20 3.589 1.215 0.965 1.00 0.00 C ATOM 869 CG LEU B 20 2.637 1.031 2.128 1.00 0.00 C ATOM 870 CD1 LEU B 20 1.994 -0.340 2.086 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.335 1.262 3.462 1.00 0.00 C ATOM 0 H LEU B 20 2.648 3.481 1.308 1.00 0.00 H new ATOM 0 HA LEU B 20 5.159 2.399 1.850 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.008 1.236 0.043 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.240 0.343 0.911 1.00 0.00 H new ATOM 0 HG LEU B 20 1.851 1.780 2.033 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.314 -0.449 2.931 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.437 -0.452 1.156 1.00 0.00 H new ATOM 0 HD13 LEU B 20 2.767 -1.106 2.141 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.622 1.122 4.275 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.155 0.552 3.572 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.728 2.278 3.496 1.00 0.00 H new ATOM 883 N GLU B 21 4.490 2.757 -1.373 1.00 0.00 N ATOM 884 CA GLU B 21 5.090 2.782 -2.706 1.00 0.00 C ATOM 885 C GLU B 21 6.151 3.876 -2.804 1.00 0.00 C ATOM 886 O GLU B 21 7.203 3.673 -3.411 1.00 0.00 O ATOM 887 CB GLU B 21 4.024 2.989 -3.783 1.00 0.00 C ATOM 888 CG GLU B 21 4.239 2.152 -5.039 1.00 0.00 C ATOM 889 CD GLU B 21 5.568 2.424 -5.725 1.00 0.00 C ATOM 890 OE1 GLU B 21 5.650 3.406 -6.492 1.00 0.00 O ATOM 891 OE2 GLU B 21 6.523 1.653 -5.493 1.00 0.00 O ATOM 0 H GLU B 21 3.480 2.898 -1.362 1.00 0.00 H new ATOM 0 HA GLU B 21 5.567 1.816 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.047 2.750 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.003 4.043 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.183 1.096 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.429 2.349 -5.741 1.00 0.00 H new ATOM 898 N ASN B 22 5.877 5.031 -2.206 1.00 0.00 N ATOM 899 CA ASN B 22 6.848 6.122 -2.191 1.00 0.00 C ATOM 900 C ASN B 22 8.049 5.750 -1.338 1.00 0.00 C ATOM 901 O ASN B 22 9.185 6.106 -1.657 1.00 0.00 O ATOM 902 CB ASN B 22 6.226 7.424 -1.674 1.00 0.00 C ATOM 903 CG ASN B 22 5.407 8.157 -2.724 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.334 9.385 -2.717 1.00 0.00 O ATOM 905 ND2 ASN B 22 4.780 7.419 -3.628 1.00 0.00 N ATOM 0 H ASN B 22 4.999 5.236 -1.729 1.00 0.00 H new ATOM 0 HA ASN B 22 7.172 6.287 -3.219 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.590 7.200 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.019 8.081 -1.318 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.214 7.867 -4.349 1.00 0.00 H new ATOM 0 HD22 ASN B 22 4.863 6.403 -3.603 1.00 0.00 H new ATOM 912 N GLU B 23 7.801 5.022 -0.254 1.00 0.00 N ATOM 913 CA GLU B 23 8.879 4.566 0.608 1.00 0.00 C ATOM 914 C GLU B 23 9.733 3.531 -0.120 1.00 0.00 C ATOM 915 O GLU B 23 10.961 3.553 -0.021 1.00 0.00 O ATOM 916 CB GLU B 23 8.324 3.984 1.910 1.00 0.00 C ATOM 917 CG GLU B 23 9.391 3.698 2.953 1.00 0.00 C ATOM 918 CD GLU B 23 10.133 4.949 3.390 1.00 0.00 C ATOM 919 OE1 GLU B 23 11.141 5.297 2.741 1.00 0.00 O ATOM 920 OE2 GLU B 23 9.706 5.578 4.378 1.00 0.00 O ATOM 0 H GLU B 23 6.868 4.738 0.045 1.00 0.00 H new ATOM 0 HA GLU B 23 9.505 5.422 0.860 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.597 4.680 2.328 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.790 3.061 1.687 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.928 3.233 3.823 1.00 0.00 H new ATOM 0 HG3 GLU B 23 10.104 2.980 2.550 1.00 0.00 H new ATOM 927 N VAL B 24 9.076 2.635 -0.856 1.00 0.00 N ATOM 928 CA VAL B 24 9.775 1.646 -1.670 1.00 0.00 C ATOM 929 C VAL B 24 10.684 2.344 -2.671 1.00 0.00 C ATOM 930 O VAL B 24 11.863 2.026 -2.781 1.00 0.00 O ATOM 931 CB VAL B 24 8.802 0.732 -2.457 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.574 -0.293 -3.271 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.825 0.030 -1.533 1.00 0.00 C ATOM 0 H VAL B 24 8.059 2.575 -0.904 1.00 0.00 H new ATOM 0 HA VAL B 24 10.352 1.027 -0.982 1.00 0.00 H new ATOM 0 HB VAL B 24 8.230 1.368 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.874 -0.926 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.226 0.220 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.176 -0.909 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.159 -0.602 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.375 -0.586 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.238 0.772 -0.992 1.00 0.00 H new ATOM 943 N ALA B 25 10.118 3.314 -3.383 1.00 0.00 N ATOM 944 CA ALA B 25 10.849 4.055 -4.402 1.00 0.00 C ATOM 945 C ALA B 25 12.066 4.756 -3.809 1.00 0.00 C ATOM 946 O ALA B 25 13.122 4.821 -4.439 1.00 0.00 O ATOM 947 CB ALA B 25 9.930 5.067 -5.072 1.00 0.00 C ATOM 0 H ALA B 25 9.147 3.606 -3.270 1.00 0.00 H new ATOM 0 HA ALA B 25 11.203 3.345 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.486 5.616 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.094 4.546 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.551 5.765 -4.325 1.00 0.00 H new ATOM 953 N ARG B 26 11.913 5.279 -2.599 1.00 0.00 N ATOM 954 CA ARG B 26 13.013 5.942 -1.916 1.00 0.00 C ATOM 955 C ARG B 26 14.105 4.936 -1.577 1.00 0.00 C ATOM 956 O ARG B 26 15.270 5.133 -1.919 1.00 0.00 O ATOM 957 CB ARG B 26 12.519 6.635 -0.644 1.00 0.00 C ATOM 958 CG ARG B 26 13.603 7.405 0.096 1.00 0.00 C ATOM 959 CD ARG B 26 14.155 8.545 -0.747 1.00 0.00 C ATOM 960 NE ARG B 26 15.256 9.234 -0.074 1.00 0.00 N ATOM 961 CZ ARG B 26 15.928 10.259 -0.596 1.00 0.00 C ATOM 962 NH1 ARG B 26 15.599 10.734 -1.791 1.00 0.00 N ATOM 963 NH2 ARG B 26 16.928 10.812 0.081 1.00 0.00 N ATOM 0 H ARG B 26 11.040 5.256 -2.073 1.00 0.00 H new ATOM 0 HA ARG B 26 13.426 6.699 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG B 26 11.713 7.321 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.096 5.886 0.026 1.00 0.00 H new ATOM 0 HG2 ARG B 26 13.197 7.803 1.026 1.00 0.00 H new ATOM 0 HG3 ARG B 26 14.412 6.726 0.366 1.00 0.00 H new ATOM 0 HD2 ARG B 26 14.501 8.155 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG B 26 13.358 9.257 -0.962 1.00 0.00 H new ATOM 0 HE ARG B 26 15.526 8.909 0.854 1.00 0.00 H new ATOM 0 HH11 ARG B 26 14.830 10.314 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG B 26 16.116 11.519 -2.188 1.00 0.00 H new ATOM 0 HH21 ARG B 26 17.182 10.452 1.001 1.00 0.00 H new ATOM 0 HH22 ARG B 26 17.442 11.597 -0.319 1.00 0.00 H new ATOM 977 N LEU B 27 13.715 3.851 -0.923 1.00 0.00 N ATOM 978 CA LEU B 27 14.651 2.796 -0.547 1.00 0.00 C ATOM 979 C LEU B 27 15.316 2.195 -1.777 1.00 0.00 C ATOM 980 O LEU B 27 16.500 1.862 -1.754 1.00 0.00 O ATOM 981 CB LEU B 27 13.934 1.692 0.231 1.00 0.00 C ATOM 982 CG LEU B 27 13.930 1.828 1.760 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.664 3.261 2.194 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.888 0.901 2.364 1.00 0.00 C ATOM 0 H LEU B 27 12.751 3.676 -0.639 1.00 0.00 H new ATOM 0 HA LEU B 27 15.417 3.244 0.086 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.900 1.649 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.395 0.738 -0.026 1.00 0.00 H new ATOM 0 HG LEU B 27 14.919 1.547 2.121 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.669 3.318 3.282 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.440 3.913 1.793 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.692 3.581 1.818 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.893 1.005 3.449 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.902 1.162 1.979 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.120 -0.130 2.097 1.00 0.00 H new ATOM 996 N LYS B 28 14.551 2.069 -2.852 1.00 0.00 N ATOM 997 CA LYS B 28 15.050 1.481 -4.084 1.00 0.00 C ATOM 998 C LYS B 28 16.167 2.335 -4.679 1.00 0.00 C ATOM 999 O LYS B 28 17.020 1.832 -5.405 1.00 0.00 O ATOM 1000 CB LYS B 28 13.914 1.320 -5.097 1.00 0.00 C ATOM 1001 CG LYS B 28 14.283 0.523 -6.344 1.00 0.00 C ATOM 1002 CD LYS B 28 14.481 -0.961 -6.049 1.00 0.00 C ATOM 1003 CE LYS B 28 15.930 -1.307 -5.719 1.00 0.00 C ATOM 1004 NZ LYS B 28 16.854 -0.992 -6.839 1.00 0.00 N ATOM 0 H LYS B 28 13.577 2.368 -2.894 1.00 0.00 H new ATOM 0 HA LYS B 28 15.456 0.497 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.073 0.831 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.574 2.310 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.499 0.640 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.198 0.930 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.843 -1.249 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.160 -1.545 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS B 28 16.239 -0.757 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS B 28 16.002 -2.368 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 17.282 -1.871 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 16.325 -0.531 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 17.603 -0.354 -6.502 1.00 0.00 H new ATOM 1018 N LYS B 29 16.155 3.627 -4.366 1.00 0.00 N ATOM 1019 CA LYS B 29 17.202 4.531 -4.825 1.00 0.00 C ATOM 1020 C LYS B 29 18.462 4.360 -3.986 1.00 0.00 C ATOM 1021 O LYS B 29 19.578 4.503 -4.486 1.00 0.00 O ATOM 1022 CB LYS B 29 16.722 5.980 -4.775 1.00 0.00 C ATOM 1023 CG LYS B 29 15.571 6.262 -5.725 1.00 0.00 C ATOM 1024 CD LYS B 29 15.114 7.706 -5.639 1.00 0.00 C ATOM 1025 CE LYS B 29 13.983 7.986 -6.614 1.00 0.00 C ATOM 1026 NZ LYS B 29 12.802 7.115 -6.366 1.00 0.00 N ATOM 0 H LYS B 29 15.433 4.070 -3.798 1.00 0.00 H new ATOM 0 HA LYS B 29 17.439 4.282 -5.859 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.412 6.218 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.555 6.640 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS B 29 15.879 6.038 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.736 5.601 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.784 7.925 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS B 29 15.953 8.369 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS B 29 13.685 9.031 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.338 7.834 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 12.718 6.418 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 12.920 6.620 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 11.942 7.698 -6.333 1.00 0.00 H new ATOM 1040 N LEU B 30 18.279 4.045 -2.711 1.00 0.00 N ATOM 1041 CA LEU B 30 19.398 3.758 -1.825 1.00 0.00 C ATOM 1042 C LEU B 30 19.996 2.402 -2.176 1.00 0.00 C ATOM 1043 O LEU B 30 21.209 2.205 -2.111 1.00 0.00 O ATOM 1044 CB LEU B 30 18.960 3.790 -0.356 1.00 0.00 C ATOM 1045 CG LEU B 30 18.865 5.186 0.277 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.806 6.038 -0.401 1.00 0.00 C ATOM 1047 CD2 LEU B 30 18.580 5.076 1.764 1.00 0.00 C ATOM 0 H LEU B 30 17.363 3.982 -2.266 1.00 0.00 H new ATOM 0 HA LEU B 30 20.157 4.529 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.986 3.307 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.661 3.193 0.227 1.00 0.00 H new ATOM 0 HG LEU B 30 19.827 5.678 0.136 1.00 0.00 H new ATOM 0 HD11 LEU B 30 17.768 7.018 0.074 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.054 6.156 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU B 30 16.834 5.552 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.516 6.074 2.197 1.00 0.00 H new ATOM 0 HD22 LEU B 30 17.636 4.553 1.916 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.384 4.521 2.248 1.00 0.00 H new ATOM 1059 N VAL B 31 19.130 1.473 -2.565 1.00 0.00 N ATOM 1060 CA VAL B 31 19.563 0.192 -3.106 1.00 0.00 C ATOM 1061 C VAL B 31 19.652 0.312 -4.631 1.00 0.00 C ATOM 1062 O VAL B 31 19.410 -0.635 -5.382 1.00 0.00 O ATOM 1063 CB VAL B 31 18.591 -0.953 -2.719 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.207 -2.315 -3.006 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.191 -0.852 -1.254 1.00 0.00 C ATOM 0 H VAL B 31 18.117 1.585 -2.515 1.00 0.00 H new ATOM 0 HA VAL B 31 20.537 -0.055 -2.685 1.00 0.00 H new ATOM 0 HB VAL B 31 17.695 -0.848 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.504 -3.099 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.434 -2.395 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.125 -2.428 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.509 -1.665 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL B 31 19.081 -0.921 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.696 0.103 -1.077 1.00 0.00 H new ATOM 1075 N GLY B 32 19.975 1.515 -5.077 1.00 0.00 N ATOM 1076 CA GLY B 32 20.066 1.793 -6.492 1.00 0.00 C ATOM 1077 C GLY B 32 21.340 2.527 -6.841 1.00 0.00 C ATOM 1078 O GLY B 32 22.101 2.091 -7.701 1.00 0.00 O ATOM 0 H GLY B 32 20.178 2.313 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY B 32 20.022 0.857 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.207 2.389 -6.801 1.00 0.00 H new ATOM 1082 N GLU B 33 21.570 3.643 -6.171 1.00 0.00 N ATOM 1083 CA GLU B 33 22.770 4.433 -6.383 1.00 0.00 C ATOM 1084 C GLU B 33 23.545 4.554 -5.077 1.00 0.00 C ATOM 1085 O GLU B 33 23.208 5.439 -4.265 1.00 0.00 O ATOM 1086 CB GLU B 33 22.404 5.821 -6.921 1.00 0.00 C ATOM 1087 CG GLU B 33 23.602 6.671 -7.321 1.00 0.00 C ATOM 1088 CD GLU B 33 24.378 6.084 -8.485 1.00 0.00 C ATOM 1089 OE1 GLU B 33 23.981 6.326 -9.644 1.00 0.00 O ATOM 1090 OE2 GLU B 33 25.384 5.388 -8.237 1.00 0.00 O ATOM 1091 OXT GLU B 33 24.476 3.751 -4.860 1.00 0.00 O ATOM 0 H GLU B 33 20.935 4.025 -5.470 1.00 0.00 H new ATOM 0 HA GLU B 33 23.399 3.935 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU B 33 21.752 5.703 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.832 6.354 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU B 33 23.259 7.671 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU B 33 24.267 6.779 -6.464 1.00 0.00 H new TER 1098 GLU B 33