USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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: B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -166:sc= 0 (180deg=-0.201) USER MOD Single : A 2 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.0569 (180deg=-0.877) USER MOD Single : A 14 GLN : amide:sc= -7.87! C(o=-7.9!,f=-16!) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -1.99! (180deg=-2.98!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -132:sc= -8.99! (180deg=-12.7!) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.898 (180deg=0.817) USER MOD Single : A 36 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.86) USER MOD Single : B 2 ASN : amide:sc= -0.608 X(o=-0.61,f=-0.77) USER MOD Single : B 8 LYS NZ :NH3+ -139:sc= -0.112 (180deg=-1.59!) USER MOD Single : B 14 GLN : amide:sc= -4.53! C(o=-4.5!,f=-5.3!) USER MOD Single : B 17 LYS NZ :NH3+ 139:sc= -0.643 (180deg=-1.23!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 137:sc= -8.14! (180deg=-12.7!) USER MOD Single : B 35 LYS NZ :NH3+ -151:sc= -0.131 (180deg=-0.854) USER MOD Single : B 36 GLN : amide:sc= -2.5! K(o=-2.5!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.058 -0.076 -0.268 1.00 2.22 N ATOM 2 CA ALA A 1 1.777 -0.034 -1.529 1.00 50.12 C ATOM 3 C ALA A 1 2.895 1.007 -1.441 1.00 2.44 C ATOM 4 O ALA A 1 4.016 0.758 -1.880 1.00 24.24 O ATOM 5 CB ALA A 1 0.796 0.260 -2.667 1.00 44.01 C ATOM 0 H1 ALA A 1 0.464 -0.929 -0.235 1.00 2.22 H new ATOM 0 H2 ALA A 1 1.738 -0.097 0.519 1.00 2.22 H new ATOM 0 H3 ALA A 1 0.457 0.768 -0.183 1.00 2.22 H new ATOM 0 HA ALA A 1 2.240 -0.998 -1.738 1.00 50.12 H new ATOM 0 HB1 ALA A 1 1.336 0.292 -3.614 1.00 44.01 H new ATOM 0 HB2 ALA A 1 0.039 -0.524 -2.707 1.00 44.01 H new ATOM 0 HB3 ALA A 1 0.314 1.222 -2.492 1.00 44.01 H new ATOM 11 N ASN A 2 2.551 2.151 -0.868 1.00 34.22 N ATOM 12 CA ASN A 2 3.511 3.230 -0.715 1.00 55.34 C ATOM 13 C ASN A 2 3.978 3.691 -2.097 1.00 54.41 C ATOM 14 O ASN A 2 4.487 2.893 -2.882 1.00 51.23 O ATOM 15 CB ASN A 2 4.740 2.767 0.069 1.00 20.21 C ATOM 16 CG ASN A 2 4.538 2.964 1.573 1.00 42.24 C ATOM 17 OD1 ASN A 2 3.523 3.466 2.028 1.00 24.45 O ATOM 18 ND2 ASN A 2 5.558 2.543 2.316 1.00 41.34 N ATOM 0 H ASN A 2 1.620 2.354 -0.504 1.00 34.22 H new ATOM 0 HA ASN A 2 3.023 4.041 -0.174 1.00 55.34 H new ATOM 0 HB2 ASN A 2 4.934 1.715 -0.141 1.00 20.21 H new ATOM 0 HB3 ASN A 2 5.617 3.325 -0.260 1.00 20.21 H new ATOM 0 HD21 ASN A 2 5.520 2.631 3.331 1.00 41.34 H new ATOM 0 HD22 ASN A 2 6.378 2.132 1.870 1.00 41.34 H new ATOM 25 N GLU A 3 3.788 4.978 -2.352 1.00 25.21 N ATOM 26 CA GLU A 3 4.184 5.554 -3.626 1.00 50.52 C ATOM 27 C GLU A 3 5.644 5.216 -3.932 1.00 21.05 C ATOM 28 O GLU A 3 6.456 5.075 -3.018 1.00 51.14 O ATOM 29 CB GLU A 3 3.957 7.067 -3.636 1.00 51.44 C ATOM 30 CG GLU A 3 4.486 7.691 -4.930 1.00 53.31 C ATOM 31 CD GLU A 3 4.464 9.219 -4.850 1.00 52.34 C ATOM 32 OE1 GLU A 3 4.574 9.784 -3.752 1.00 4.11 O ATOM 33 OE2 GLU A 3 4.328 9.823 -5.982 1.00 52.02 O ATOM 0 H GLU A 3 3.365 5.637 -1.698 1.00 25.21 H new ATOM 0 HA GLU A 3 3.561 5.120 -4.408 1.00 50.52 H new ATOM 0 HB2 GLU A 3 2.893 7.280 -3.534 1.00 51.44 H new ATOM 0 HB3 GLU A 3 4.456 7.519 -2.779 1.00 51.44 H new ATOM 0 HG2 GLU A 3 5.504 7.347 -5.114 1.00 53.31 H new ATOM 0 HG3 GLU A 3 3.880 7.358 -5.773 1.00 53.31 H new ATOM 40 N GLY A 4 5.934 5.097 -5.219 1.00 22.53 N ATOM 41 CA GLY A 4 7.283 4.778 -5.655 1.00 70.11 C ATOM 42 C GLY A 4 7.496 3.264 -5.716 1.00 63.11 C ATOM 43 O GLY A 4 8.594 2.800 -6.022 1.00 34.32 O ATOM 0 H GLY A 4 5.258 5.216 -5.974 1.00 22.53 H new ATOM 0 HA2 GLY A 4 7.464 5.214 -6.637 1.00 70.11 H new ATOM 0 HA3 GLY A 4 8.005 5.223 -4.970 1.00 70.11 H new ATOM 47 N ASP A 5 6.430 2.536 -5.419 1.00 24.22 N ATOM 48 CA ASP A 5 6.487 1.084 -5.435 1.00 71.31 C ATOM 49 C ASP A 5 5.868 0.568 -6.736 1.00 14.42 C ATOM 50 O ASP A 5 4.928 1.165 -7.260 1.00 45.52 O ATOM 51 CB ASP A 5 5.697 0.489 -4.268 1.00 24.42 C ATOM 52 CG ASP A 5 6.383 0.595 -2.904 1.00 14.12 C ATOM 53 OD1 ASP A 5 7.004 1.704 -2.691 1.00 42.35 O ATOM 54 OD2 ASP A 5 6.324 -0.336 -2.086 1.00 13.43 O ATOM 0 H ASP A 5 5.521 2.924 -5.166 1.00 24.22 H new ATOM 0 HA ASP A 5 7.532 0.787 -5.352 1.00 71.31 H new ATOM 0 HB2 ASP A 5 4.730 0.988 -4.211 1.00 24.42 H new ATOM 0 HB3 ASP A 5 5.502 -0.562 -4.479 1.00 24.42 H new ATOM 59 N VAL A 6 6.418 -0.535 -7.220 1.00 45.11 N ATOM 60 CA VAL A 6 5.932 -1.138 -8.450 1.00 1.45 C ATOM 61 C VAL A 6 5.258 -2.473 -8.127 1.00 11.43 C ATOM 62 O VAL A 6 5.726 -3.215 -7.264 1.00 60.23 O ATOM 63 CB VAL A 6 7.078 -1.274 -9.454 1.00 42.34 C ATOM 64 CG1 VAL A 6 6.738 -2.300 -10.537 1.00 11.01 C ATOM 65 CG2 VAL A 6 7.428 0.080 -10.074 1.00 11.40 C ATOM 0 H VAL A 6 7.197 -1.028 -6.783 1.00 45.11 H new ATOM 0 HA VAL A 6 5.182 -0.500 -8.918 1.00 1.45 H new ATOM 0 HB VAL A 6 7.955 -1.632 -8.915 1.00 42.34 H new ATOM 0 HG11 VAL A 6 7.569 -2.378 -11.238 1.00 11.01 H new ATOM 0 HG12 VAL A 6 6.561 -3.271 -10.075 1.00 11.01 H new ATOM 0 HG13 VAL A 6 5.842 -1.983 -11.070 1.00 11.01 H new ATOM 0 HG21 VAL A 6 8.246 -0.045 -10.784 1.00 11.40 H new ATOM 0 HG22 VAL A 6 6.556 0.479 -10.592 1.00 11.40 H new ATOM 0 HG23 VAL A 6 7.732 0.772 -9.289 1.00 11.40 H new ATOM 75 N TYR A 7 4.171 -2.737 -8.835 1.00 55.53 N ATOM 76 CA TYR A 7 3.428 -3.969 -8.635 1.00 14.20 C ATOM 77 C TYR A 7 3.308 -4.756 -9.942 1.00 31.42 C ATOM 78 O TYR A 7 3.057 -4.178 -10.997 1.00 44.44 O ATOM 79 CB TYR A 7 2.030 -3.550 -8.177 1.00 10.34 C ATOM 80 CG TYR A 7 1.897 -3.377 -6.662 1.00 33.31 C ATOM 81 CD1 TYR A 7 2.686 -2.459 -5.999 1.00 54.25 C ATOM 82 CD2 TYR A 7 0.989 -4.141 -5.957 1.00 72.24 C ATOM 83 CE1 TYR A 7 2.561 -2.296 -4.574 1.00 74.43 C ATOM 84 CE2 TYR A 7 0.863 -3.980 -4.532 1.00 45.34 C ATOM 85 CZ TYR A 7 1.655 -3.066 -3.911 1.00 44.40 C ATOM 86 OH TYR A 7 1.537 -2.913 -2.565 1.00 65.01 O ATOM 0 H TYR A 7 3.786 -2.118 -9.549 1.00 55.53 H new ATOM 0 HA TYR A 7 3.932 -4.607 -7.909 1.00 14.20 H new ATOM 0 HB2 TYR A 7 1.765 -2.612 -8.664 1.00 10.34 H new ATOM 0 HB3 TYR A 7 1.310 -4.297 -8.512 1.00 10.34 H new ATOM 0 HD1 TYR A 7 3.398 -1.862 -6.550 1.00 54.25 H new ATOM 0 HD2 TYR A 7 0.372 -4.860 -6.475 1.00 72.24 H new ATOM 0 HE1 TYR A 7 3.171 -1.580 -4.044 1.00 74.43 H new ATOM 0 HE2 TYR A 7 0.156 -4.571 -3.969 1.00 45.34 H new ATOM 0 HH TYR A 7 0.852 -3.526 -2.225 1.00 65.01 H new ATOM 96 N LYS A 8 3.492 -6.063 -9.827 1.00 60.14 N ATOM 97 CA LYS A 8 3.408 -6.935 -10.986 1.00 40.40 C ATOM 98 C LYS A 8 2.239 -7.905 -10.805 1.00 25.30 C ATOM 99 O LYS A 8 2.000 -8.395 -9.703 1.00 14.43 O ATOM 100 CB LYS A 8 4.750 -7.628 -11.234 1.00 10.43 C ATOM 101 CG LYS A 8 4.860 -8.109 -12.682 1.00 53.23 C ATOM 102 CD LYS A 8 6.323 -8.250 -13.105 1.00 1.23 C ATOM 103 CE LYS A 8 6.439 -8.477 -14.613 1.00 4.52 C ATOM 104 NZ LYS A 8 7.795 -8.119 -15.087 1.00 61.23 N ATOM 0 H LYS A 8 3.699 -6.539 -8.949 1.00 60.14 H new ATOM 0 HA LYS A 8 3.205 -6.354 -11.886 1.00 40.40 H new ATOM 0 HB2 LYS A 8 5.565 -6.939 -11.013 1.00 10.43 H new ATOM 0 HB3 LYS A 8 4.856 -8.475 -10.557 1.00 10.43 H new ATOM 0 HG2 LYS A 8 4.353 -9.068 -12.790 1.00 53.23 H new ATOM 0 HG3 LYS A 8 4.353 -7.405 -13.342 1.00 53.23 H new ATOM 0 HD2 LYS A 8 6.874 -7.352 -12.826 1.00 1.23 H new ATOM 0 HD3 LYS A 8 6.780 -9.084 -12.572 1.00 1.23 H new ATOM 0 HE2 LYS A 8 6.229 -9.521 -14.847 1.00 4.52 H new ATOM 0 HE3 LYS A 8 5.694 -7.877 -15.136 1.00 4.52 H new ATOM 0 HZ1 LYS A 8 7.752 -7.851 -16.091 1.00 61.23 H new ATOM 0 HZ2 LYS A 8 8.157 -7.319 -14.530 1.00 61.23 H new ATOM 0 HZ3 LYS A 8 8.429 -8.935 -14.973 1.00 61.23 H new ATOM 117 N CYS A 9 1.543 -8.154 -11.905 1.00 20.44 N ATOM 118 CA CYS A 9 0.405 -9.057 -11.881 1.00 33.31 C ATOM 119 C CYS A 9 0.901 -10.445 -11.467 1.00 11.32 C ATOM 120 O CYS A 9 0.140 -11.243 -10.923 1.00 14.42 O ATOM 121 CB CYS A 9 -0.321 -9.089 -13.228 1.00 25.31 C ATOM 122 SG CYS A 9 -1.755 -10.226 -13.301 1.00 10.51 S ATOM 0 H CYS A 9 1.745 -7.746 -12.818 1.00 20.44 H new ATOM 0 HA CYS A 9 -0.328 -8.703 -11.156 1.00 33.31 H new ATOM 0 HB2 CYS A 9 -0.662 -8.081 -13.465 1.00 25.31 H new ATOM 0 HB3 CYS A 9 0.391 -9.375 -14.002 1.00 25.31 H new ATOM 127 N GLU A 10 2.174 -10.689 -11.741 1.00 1.12 N ATOM 128 CA GLU A 10 2.780 -11.966 -11.403 1.00 50.34 C ATOM 129 C GLU A 10 2.129 -13.091 -12.208 1.00 74.23 C ATOM 130 O GLU A 10 2.375 -14.269 -11.949 1.00 4.30 O ATOM 131 CB GLU A 10 2.684 -12.239 -9.902 1.00 41.20 C ATOM 132 CG GLU A 10 3.905 -11.686 -9.164 1.00 41.35 C ATOM 133 CD GLU A 10 5.021 -12.731 -9.092 1.00 51.32 C ATOM 134 OE1 GLU A 10 4.869 -13.755 -8.410 1.00 12.32 O ATOM 135 OE2 GLU A 10 6.077 -12.449 -9.778 1.00 52.44 O ATOM 0 H GLU A 10 2.802 -10.025 -12.193 1.00 1.12 H new ATOM 0 HA GLU A 10 3.838 -11.924 -11.663 1.00 50.34 H new ATOM 0 HB2 GLU A 10 1.777 -11.784 -9.503 1.00 41.20 H new ATOM 0 HB3 GLU A 10 2.605 -13.312 -9.728 1.00 41.20 H new ATOM 0 HG2 GLU A 10 4.269 -10.794 -9.674 1.00 41.35 H new ATOM 0 HG3 GLU A 10 3.619 -11.383 -8.157 1.00 41.35 H new ATOM 142 N LEU A 11 1.309 -12.691 -13.170 1.00 31.13 N ATOM 143 CA LEU A 11 0.620 -13.652 -14.015 1.00 32.04 C ATOM 144 C LEU A 11 0.825 -13.274 -15.482 1.00 50.30 C ATOM 145 O LEU A 11 1.739 -13.777 -16.135 1.00 33.05 O ATOM 146 CB LEU A 11 -0.851 -13.765 -13.608 1.00 41.34 C ATOM 147 CG LEU A 11 -1.137 -14.578 -12.345 1.00 74.12 C ATOM 148 CD1 LEU A 11 -2.626 -14.534 -11.991 1.00 1.22 C ATOM 149 CD2 LEU A 11 -0.625 -16.013 -12.489 1.00 53.23 C ATOM 0 H LEU A 11 1.107 -11.714 -13.383 1.00 31.13 H new ATOM 0 HA LEU A 11 1.041 -14.648 -13.881 1.00 32.04 H new ATOM 0 HB2 LEU A 11 -1.246 -12.759 -13.466 1.00 41.34 H new ATOM 0 HB3 LEU A 11 -1.403 -14.210 -14.436 1.00 41.34 H new ATOM 0 HG LEU A 11 -0.594 -14.124 -11.516 1.00 74.12 H new ATOM 0 HD11 LEU A 11 -2.803 -15.120 -11.089 1.00 1.22 H new ATOM 0 HD12 LEU A 11 -2.928 -13.501 -11.818 1.00 1.22 H new ATOM 0 HD13 LEU A 11 -3.208 -14.950 -12.814 1.00 1.22 H new ATOM 0 HD21 LEU A 11 -0.841 -16.570 -11.577 1.00 53.23 H new ATOM 0 HD22 LEU A 11 -1.120 -16.493 -13.333 1.00 53.23 H new ATOM 0 HD23 LEU A 11 0.451 -16.000 -12.660 1.00 53.23 H new ATOM 161 N CYS A 12 -0.039 -12.390 -15.959 1.00 75.22 N ATOM 162 CA CYS A 12 0.036 -11.938 -17.339 1.00 30.41 C ATOM 163 C CYS A 12 1.415 -11.314 -17.565 1.00 24.41 C ATOM 164 O CYS A 12 1.969 -11.405 -18.659 1.00 21.42 O ATOM 165 CB CYS A 12 -1.094 -10.963 -17.677 1.00 63.53 C ATOM 166 SG CYS A 12 -1.073 -9.403 -16.723 1.00 11.43 S ATOM 0 H CYS A 12 -0.795 -11.974 -15.415 1.00 75.22 H new ATOM 0 HA CYS A 12 -0.092 -12.787 -18.010 1.00 30.41 H new ATOM 0 HB2 CYS A 12 -1.043 -10.723 -18.739 1.00 63.53 H new ATOM 0 HB3 CYS A 12 -2.048 -11.462 -17.509 1.00 63.53 H new ATOM 171 N GLY A 13 1.929 -10.695 -16.513 1.00 42.40 N ATOM 172 CA GLY A 13 3.232 -10.056 -16.583 1.00 62.35 C ATOM 173 C GLY A 13 3.092 -8.543 -16.764 1.00 50.32 C ATOM 174 O GLY A 13 3.878 -7.924 -17.480 1.00 65.13 O ATOM 0 H GLY A 13 1.467 -10.622 -15.607 1.00 42.40 H new ATOM 0 HA2 GLY A 13 3.794 -10.266 -15.673 1.00 62.35 H new ATOM 0 HA3 GLY A 13 3.802 -10.474 -17.413 1.00 62.35 H new ATOM 178 N GLN A 14 2.085 -7.991 -16.102 1.00 44.13 N ATOM 179 CA GLN A 14 1.833 -6.563 -16.181 1.00 0.42 C ATOM 180 C GLN A 14 2.517 -5.837 -15.019 1.00 74.13 C ATOM 181 O GLN A 14 2.318 -6.193 -13.859 1.00 10.23 O ATOM 182 CB GLN A 14 0.331 -6.271 -16.200 1.00 60.32 C ATOM 183 CG GLN A 14 0.054 -4.850 -16.691 1.00 41.52 C ATOM 184 CD GLN A 14 -1.039 -4.183 -15.852 1.00 45.44 C ATOM 185 OE1 GLN A 14 -0.798 -3.254 -15.098 1.00 1.02 O ATOM 186 NE2 GLN A 14 -2.248 -4.706 -16.025 1.00 73.23 N ATOM 0 H GLN A 14 1.435 -8.507 -15.509 1.00 44.13 H new ATOM 0 HA GLN A 14 2.255 -6.192 -17.115 1.00 0.42 H new ATOM 0 HB2 GLN A 14 -0.174 -6.988 -16.847 1.00 60.32 H new ATOM 0 HB3 GLN A 14 -0.081 -6.400 -15.199 1.00 60.32 H new ATOM 0 HG2 GLN A 14 0.968 -4.259 -16.640 1.00 41.52 H new ATOM 0 HG3 GLN A 14 -0.251 -4.876 -17.737 1.00 41.52 H new ATOM 0 HE21 GLN A 14 -2.380 -5.483 -16.672 1.00 73.23 H new ATOM 0 HE22 GLN A 14 -3.045 -4.330 -15.511 1.00 73.23 H new ATOM 195 N VAL A 15 3.307 -4.835 -15.372 1.00 50.35 N ATOM 196 CA VAL A 15 4.021 -4.057 -14.375 1.00 62.21 C ATOM 197 C VAL A 15 3.439 -2.643 -14.324 1.00 14.33 C ATOM 198 O VAL A 15 3.232 -2.015 -15.361 1.00 63.53 O ATOM 199 CB VAL A 15 5.522 -4.075 -14.673 1.00 12.42 C ATOM 200 CG1 VAL A 15 6.307 -3.360 -13.571 1.00 64.54 C ATOM 201 CG2 VAL A 15 6.026 -5.507 -14.865 1.00 30.12 C ATOM 0 H VAL A 15 3.469 -4.543 -16.336 1.00 50.35 H new ATOM 0 HA VAL A 15 3.894 -4.497 -13.386 1.00 62.21 H new ATOM 0 HB VAL A 15 5.686 -3.535 -15.606 1.00 12.42 H new ATOM 0 HG11 VAL A 15 7.371 -3.387 -13.806 1.00 64.54 H new ATOM 0 HG12 VAL A 15 5.976 -2.324 -13.503 1.00 64.54 H new ATOM 0 HG13 VAL A 15 6.134 -3.860 -12.618 1.00 64.54 H new ATOM 0 HG21 VAL A 15 7.095 -5.491 -15.075 1.00 30.12 H new ATOM 0 HG22 VAL A 15 5.843 -6.082 -13.957 1.00 30.12 H new ATOM 0 HG23 VAL A 15 5.499 -5.969 -15.699 1.00 30.12 H new ATOM 211 N VAL A 16 3.191 -2.184 -13.106 1.00 11.44 N ATOM 212 CA VAL A 16 2.636 -0.855 -12.906 1.00 33.53 C ATOM 213 C VAL A 16 3.303 -0.206 -11.692 1.00 61.13 C ATOM 214 O VAL A 16 3.958 -0.885 -10.902 1.00 64.35 O ATOM 215 CB VAL A 16 1.114 -0.938 -12.778 1.00 55.14 C ATOM 216 CG1 VAL A 16 0.463 -1.206 -14.137 1.00 24.42 C ATOM 217 CG2 VAL A 16 0.706 -2.000 -11.755 1.00 61.34 C ATOM 0 H VAL A 16 3.364 -2.708 -12.248 1.00 11.44 H new ATOM 0 HA VAL A 16 2.843 -0.221 -13.768 1.00 33.53 H new ATOM 0 HB VAL A 16 0.755 0.027 -12.419 1.00 55.14 H new ATOM 0 HG11 VAL A 16 -0.619 -1.260 -14.018 1.00 24.42 H new ATOM 0 HG12 VAL A 16 0.712 -0.398 -14.825 1.00 24.42 H new ATOM 0 HG13 VAL A 16 0.832 -2.150 -14.537 1.00 24.42 H new ATOM 0 HG21 VAL A 16 -0.381 -2.038 -11.684 1.00 61.34 H new ATOM 0 HG22 VAL A 16 1.083 -2.973 -12.070 1.00 61.34 H new ATOM 0 HG23 VAL A 16 1.125 -1.747 -10.781 1.00 61.34 H new ATOM 227 N LYS A 17 3.114 1.100 -11.581 1.00 24.10 N ATOM 228 CA LYS A 17 3.690 1.848 -10.477 1.00 5.22 C ATOM 229 C LYS A 17 2.567 2.499 -9.667 1.00 1.13 C ATOM 230 O LYS A 17 1.472 2.719 -10.182 1.00 61.12 O ATOM 231 CB LYS A 17 4.733 2.844 -10.989 1.00 63.43 C ATOM 232 CG LYS A 17 5.727 3.213 -9.886 1.00 63.22 C ATOM 233 CD LYS A 17 5.952 4.726 -9.835 1.00 63.43 C ATOM 234 CE LYS A 17 5.370 5.323 -8.553 1.00 51.24 C ATOM 235 NZ LYS A 17 6.204 6.452 -8.083 1.00 35.12 N ATOM 0 H LYS A 17 2.570 1.660 -12.238 1.00 24.10 H new ATOM 0 HA LYS A 17 4.225 1.179 -9.803 1.00 5.22 H new ATOM 0 HB2 LYS A 17 5.267 2.413 -11.836 1.00 63.43 H new ATOM 0 HB3 LYS A 17 4.235 3.744 -11.351 1.00 63.43 H new ATOM 0 HG2 LYS A 17 5.353 2.865 -8.923 1.00 63.22 H new ATOM 0 HG3 LYS A 17 6.676 2.706 -10.062 1.00 63.22 H new ATOM 0 HD2 LYS A 17 7.019 4.941 -9.889 1.00 63.43 H new ATOM 0 HD3 LYS A 17 5.488 5.196 -10.702 1.00 63.43 H new ATOM 0 HE2 LYS A 17 4.351 5.666 -8.734 1.00 51.24 H new ATOM 0 HE3 LYS A 17 5.315 4.557 -7.780 1.00 51.24 H new ATOM 0 HZ1 LYS A 17 5.979 6.659 -7.089 1.00 35.12 H new ATOM 0 HZ2 LYS A 17 7.209 6.199 -8.165 1.00 35.12 H new ATOM 0 HZ3 LYS A 17 6.010 7.292 -8.664 1.00 35.12 H new ATOM 248 N VAL A 18 2.877 2.788 -8.411 1.00 30.41 N ATOM 249 CA VAL A 18 1.908 3.409 -7.525 1.00 34.01 C ATOM 250 C VAL A 18 2.229 4.898 -7.386 1.00 61.12 C ATOM 251 O VAL A 18 2.952 5.298 -6.475 1.00 22.50 O ATOM 252 CB VAL A 18 1.881 2.675 -6.182 1.00 24.11 C ATOM 253 CG1 VAL A 18 1.025 3.428 -5.162 1.00 75.24 C ATOM 254 CG2 VAL A 18 1.390 1.236 -6.354 1.00 4.11 C ATOM 0 H VAL A 18 3.786 2.603 -7.987 1.00 30.41 H new ATOM 0 HA VAL A 18 0.904 3.331 -7.943 1.00 34.01 H new ATOM 0 HB VAL A 18 2.901 2.638 -5.800 1.00 24.11 H new ATOM 0 HG11 VAL A 18 1.023 2.885 -4.217 1.00 75.24 H new ATOM 0 HG12 VAL A 18 1.437 4.425 -5.007 1.00 75.24 H new ATOM 0 HG13 VAL A 18 0.004 3.511 -5.535 1.00 75.24 H new ATOM 0 HG21 VAL A 18 1.380 0.737 -5.385 1.00 4.11 H new ATOM 0 HG22 VAL A 18 0.382 1.243 -6.769 1.00 4.11 H new ATOM 0 HG23 VAL A 18 2.057 0.702 -7.031 1.00 4.11 H new ATOM 264 N LEU A 19 1.677 5.678 -8.303 1.00 51.13 N ATOM 265 CA LEU A 19 1.897 7.114 -8.295 1.00 2.51 C ATOM 266 C LEU A 19 1.163 7.731 -7.103 1.00 14.34 C ATOM 267 O LEU A 19 1.704 8.595 -6.414 1.00 52.34 O ATOM 268 CB LEU A 19 1.504 7.725 -9.641 1.00 50.32 C ATOM 269 CG LEU A 19 2.550 8.627 -10.300 1.00 21.12 C ATOM 270 CD1 LEU A 19 3.099 7.989 -11.577 1.00 51.01 C ATOM 271 CD2 LEU A 19 1.985 10.026 -10.555 1.00 4.12 C ATOM 0 H LEU A 19 1.077 5.343 -9.057 1.00 51.13 H new ATOM 0 HA LEU A 19 2.957 7.336 -8.168 1.00 2.51 H new ATOM 0 HB2 LEU A 19 1.267 6.914 -10.330 1.00 50.32 H new ATOM 0 HB3 LEU A 19 0.590 8.303 -9.502 1.00 50.32 H new ATOM 0 HG LEU A 19 3.387 8.738 -9.611 1.00 21.12 H new ATOM 0 HD11 LEU A 19 3.840 8.651 -12.025 1.00 51.01 H new ATOM 0 HD12 LEU A 19 3.565 7.034 -11.335 1.00 51.01 H new ATOM 0 HD13 LEU A 19 2.284 7.827 -12.282 1.00 51.01 H new ATOM 0 HD21 LEU A 19 2.748 10.647 -11.024 1.00 4.12 H new ATOM 0 HD22 LEU A 19 1.120 9.954 -11.215 1.00 4.12 H new ATOM 0 HD23 LEU A 19 1.683 10.475 -9.609 1.00 4.12 H new ATOM 283 N GLU A 20 -0.059 7.263 -6.894 1.00 30.10 N ATOM 284 CA GLU A 20 -0.874 7.757 -5.798 1.00 0.21 C ATOM 285 C GLU A 20 -1.715 6.623 -5.207 1.00 31.01 C ATOM 286 O GLU A 20 -2.654 6.147 -5.842 1.00 62.14 O ATOM 287 CB GLU A 20 -1.761 8.918 -6.253 1.00 22.44 C ATOM 288 CG GLU A 20 -2.923 9.134 -5.282 1.00 31.04 C ATOM 289 CD GLU A 20 -2.419 9.629 -3.925 1.00 40.41 C ATOM 290 OE1 GLU A 20 -2.020 10.797 -3.801 1.00 62.21 O ATOM 291 OE2 GLU A 20 -2.453 8.755 -2.978 1.00 21.35 O ATOM 0 H GLU A 20 -0.505 6.546 -7.466 1.00 30.10 H new ATOM 0 HA GLU A 20 -0.210 8.134 -5.020 1.00 0.21 H new ATOM 0 HB2 GLU A 20 -1.166 9.829 -6.322 1.00 22.44 H new ATOM 0 HB3 GLU A 20 -2.149 8.714 -7.251 1.00 22.44 H new ATOM 0 HG2 GLU A 20 -3.622 9.858 -5.701 1.00 31.04 H new ATOM 0 HG3 GLU A 20 -3.471 8.201 -5.152 1.00 31.04 H new ATOM 298 N GLU A 21 -1.348 6.225 -3.998 1.00 63.10 N ATOM 299 CA GLU A 21 -2.057 5.155 -3.316 1.00 5.54 C ATOM 300 C GLU A 21 -3.496 5.579 -3.018 1.00 23.30 C ATOM 301 O GLU A 21 -3.770 6.760 -2.811 1.00 52.04 O ATOM 302 CB GLU A 21 -1.328 4.748 -2.032 1.00 72.34 C ATOM 303 CG GLU A 21 -1.345 5.883 -1.008 1.00 55.22 C ATOM 304 CD GLU A 21 -1.314 5.334 0.420 1.00 73.23 C ATOM 305 OE1 GLU A 21 -0.743 4.260 0.658 1.00 11.54 O ATOM 306 OE2 GLU A 21 -1.912 6.066 1.298 1.00 5.24 O ATOM 0 H GLU A 21 -0.570 6.624 -3.473 1.00 63.10 H new ATOM 0 HA GLU A 21 -2.084 4.285 -3.972 1.00 5.54 H new ATOM 0 HB2 GLU A 21 -1.801 3.863 -1.607 1.00 72.34 H new ATOM 0 HB3 GLU A 21 -0.298 4.479 -2.264 1.00 72.34 H new ATOM 0 HG2 GLU A 21 -0.487 6.536 -1.169 1.00 55.22 H new ATOM 0 HG3 GLU A 21 -2.239 6.491 -1.148 1.00 55.22 H new ATOM 313 N GLY A 22 -4.379 4.591 -3.006 1.00 70.44 N ATOM 314 CA GLY A 22 -5.783 4.846 -2.737 1.00 73.14 C ATOM 315 C GLY A 22 -6.342 3.838 -1.732 1.00 61.51 C ATOM 316 O GLY A 22 -5.590 3.057 -1.148 1.00 14.33 O ATOM 0 H GLY A 22 -4.149 3.612 -3.178 1.00 70.44 H new ATOM 0 HA2 GLY A 22 -5.904 5.857 -2.349 1.00 73.14 H new ATOM 0 HA3 GLY A 22 -6.350 4.791 -3.666 1.00 73.14 H new ATOM 320 N GLY A 23 -7.655 3.885 -1.560 1.00 25.10 N ATOM 321 CA GLY A 23 -8.322 2.985 -0.635 1.00 75.12 C ATOM 322 C GLY A 23 -8.874 1.759 -1.365 1.00 62.10 C ATOM 323 O GLY A 23 -10.036 1.396 -1.188 1.00 0.34 O ATOM 0 H GLY A 23 -8.275 4.533 -2.046 1.00 25.10 H new ATOM 0 HA2 GLY A 23 -7.622 2.668 0.138 1.00 75.12 H new ATOM 0 HA3 GLY A 23 -9.135 3.510 -0.133 1.00 75.12 H new ATOM 327 N GLY A 24 -8.015 1.153 -2.172 1.00 54.34 N ATOM 328 CA GLY A 24 -8.403 -0.024 -2.930 1.00 45.41 C ATOM 329 C GLY A 24 -7.178 -0.858 -3.312 1.00 23.42 C ATOM 330 O GLY A 24 -6.042 -0.423 -3.122 1.00 74.03 O ATOM 0 H GLY A 24 -7.052 1.455 -2.317 1.00 54.34 H new ATOM 0 HA2 GLY A 24 -9.091 -0.630 -2.341 1.00 45.41 H new ATOM 0 HA3 GLY A 24 -8.937 0.279 -3.831 1.00 45.41 H new ATOM 334 N THR A 25 -7.448 -2.042 -3.841 1.00 35.01 N ATOM 335 CA THR A 25 -6.383 -2.940 -4.250 1.00 61.54 C ATOM 336 C THR A 25 -6.386 -3.115 -5.770 1.00 72.01 C ATOM 337 O THR A 25 -7.448 -3.195 -6.387 1.00 44.51 O ATOM 338 CB THR A 25 -6.555 -4.256 -3.488 1.00 20.25 C ATOM 339 OG1 THR A 25 -6.044 -3.974 -2.188 1.00 10.10 O ATOM 340 CG2 THR A 25 -5.640 -5.363 -4.015 1.00 62.32 C ATOM 0 H THR A 25 -8.390 -2.400 -3.996 1.00 35.01 H new ATOM 0 HA THR A 25 -5.404 -2.529 -4.003 1.00 61.54 H new ATOM 0 HB THR A 25 -7.593 -4.581 -3.556 1.00 20.25 H new ATOM 0 HG1 THR A 25 -6.119 -4.774 -1.627 1.00 10.10 H new ATOM 0 HG21 THR A 25 -5.803 -6.274 -3.439 1.00 62.32 H new ATOM 0 HG22 THR A 25 -5.865 -5.552 -5.065 1.00 62.32 H new ATOM 0 HG23 THR A 25 -4.600 -5.053 -3.917 1.00 62.32 H new ATOM 348 N LEU A 26 -5.187 -3.168 -6.330 1.00 11.12 N ATOM 349 CA LEU A 26 -5.038 -3.331 -7.766 1.00 62.02 C ATOM 350 C LEU A 26 -5.194 -4.809 -8.127 1.00 31.04 C ATOM 351 O LEU A 26 -4.449 -5.654 -7.632 1.00 43.14 O ATOM 352 CB LEU A 26 -3.718 -2.718 -8.241 1.00 15.11 C ATOM 353 CG LEU A 26 -3.291 -1.424 -7.547 1.00 14.33 C ATOM 354 CD1 LEU A 26 -1.809 -1.134 -7.789 1.00 72.23 C ATOM 355 CD2 LEU A 26 -4.181 -0.254 -7.972 1.00 15.04 C ATOM 0 H LEU A 26 -4.309 -3.101 -5.815 1.00 11.12 H new ATOM 0 HA LEU A 26 -5.823 -2.789 -8.294 1.00 62.02 H new ATOM 0 HB2 LEU A 26 -2.928 -3.457 -8.106 1.00 15.11 H new ATOM 0 HB3 LEU A 26 -3.794 -2.525 -9.311 1.00 15.11 H new ATOM 0 HG LEU A 26 -3.422 -1.554 -6.473 1.00 14.33 H new ATOM 0 HD11 LEU A 26 -1.532 -0.208 -7.284 1.00 72.23 H new ATOM 0 HD12 LEU A 26 -1.209 -1.955 -7.396 1.00 72.23 H new ATOM 0 HD13 LEU A 26 -1.628 -1.032 -8.859 1.00 72.23 H new ATOM 0 HD21 LEU A 26 -3.856 0.654 -7.464 1.00 15.04 H new ATOM 0 HD22 LEU A 26 -4.106 -0.113 -9.050 1.00 15.04 H new ATOM 0 HD23 LEU A 26 -5.216 -0.468 -7.705 1.00 15.04 H new ATOM 367 N VAL A 27 -6.167 -5.076 -8.985 1.00 20.32 N ATOM 368 CA VAL A 27 -6.431 -6.439 -9.417 1.00 2.10 C ATOM 369 C VAL A 27 -6.117 -6.566 -10.909 1.00 13.00 C ATOM 370 O VAL A 27 -6.205 -5.588 -11.651 1.00 12.33 O ATOM 371 CB VAL A 27 -7.870 -6.828 -9.073 1.00 10.21 C ATOM 372 CG1 VAL A 27 -8.380 -7.925 -10.009 1.00 40.14 C ATOM 373 CG2 VAL A 27 -7.988 -7.256 -7.609 1.00 63.31 C ATOM 0 H VAL A 27 -6.782 -4.372 -9.393 1.00 20.32 H new ATOM 0 HA VAL A 27 -5.785 -7.139 -8.888 1.00 2.10 H new ATOM 0 HB VAL A 27 -8.498 -5.948 -9.215 1.00 10.21 H new ATOM 0 HG11 VAL A 27 -9.405 -8.183 -9.743 1.00 40.14 H new ATOM 0 HG12 VAL A 27 -8.351 -7.567 -11.038 1.00 40.14 H new ATOM 0 HG13 VAL A 27 -7.747 -8.808 -9.914 1.00 40.14 H new ATOM 0 HG21 VAL A 27 -9.021 -7.527 -7.391 1.00 63.31 H new ATOM 0 HG22 VAL A 27 -7.342 -8.115 -7.428 1.00 63.31 H new ATOM 0 HG23 VAL A 27 -7.686 -6.431 -6.963 1.00 63.31 H new ATOM 383 N CYS A 28 -5.758 -7.777 -11.304 1.00 72.45 N ATOM 384 CA CYS A 28 -5.432 -8.045 -12.695 1.00 23.33 C ATOM 385 C CYS A 28 -5.542 -9.553 -12.933 1.00 41.52 C ATOM 386 O CYS A 28 -4.968 -10.345 -12.188 1.00 61.43 O ATOM 387 CB CYS A 28 -4.046 -7.508 -13.063 1.00 74.33 C ATOM 388 SG CYS A 28 -3.666 -7.533 -14.853 1.00 63.12 S ATOM 0 H CYS A 28 -5.685 -8.585 -10.686 1.00 72.45 H new ATOM 0 HA CYS A 28 -6.136 -7.524 -13.344 1.00 23.33 H new ATOM 0 HB2 CYS A 28 -3.961 -6.483 -12.702 1.00 74.33 H new ATOM 0 HB3 CYS A 28 -3.293 -8.095 -12.537 1.00 74.33 H new ATOM 393 N CYS A 29 -6.282 -9.902 -13.975 1.00 14.05 N ATOM 394 CA CYS A 29 -6.475 -11.300 -14.320 1.00 1.13 C ATOM 395 C CYS A 29 -7.180 -11.991 -13.151 1.00 55.33 C ATOM 396 O CYS A 29 -6.845 -13.121 -12.800 1.00 13.51 O ATOM 397 CB CYS A 29 -5.153 -11.983 -14.672 1.00 43.21 C ATOM 398 SG CYS A 29 -4.256 -11.237 -16.082 1.00 45.24 S ATOM 0 H CYS A 29 -6.755 -9.241 -14.591 1.00 14.05 H new ATOM 0 HA CYS A 29 -7.096 -11.374 -15.213 1.00 1.13 H new ATOM 0 HB2 CYS A 29 -4.505 -11.963 -13.796 1.00 43.21 H new ATOM 0 HB3 CYS A 29 -5.350 -13.031 -14.898 1.00 43.21 H new ATOM 403 N GLY A 30 -8.145 -11.283 -12.582 1.00 15.21 N ATOM 404 CA GLY A 30 -8.902 -11.815 -11.461 1.00 43.41 C ATOM 405 C GLY A 30 -7.977 -12.158 -10.290 1.00 71.32 C ATOM 406 O GLY A 30 -8.314 -12.997 -9.456 1.00 4.35 O ATOM 0 H GLY A 30 -8.420 -10.346 -12.876 1.00 15.21 H new ATOM 0 HA2 GLY A 30 -9.646 -11.085 -11.140 1.00 43.41 H new ATOM 0 HA3 GLY A 30 -9.445 -12.707 -11.774 1.00 43.41 H new ATOM 410 N GLU A 31 -6.831 -11.493 -10.268 1.00 31.32 N ATOM 411 CA GLU A 31 -5.856 -11.718 -9.214 1.00 72.35 C ATOM 412 C GLU A 31 -5.441 -10.389 -8.582 1.00 54.20 C ATOM 413 O GLU A 31 -5.579 -9.334 -9.201 1.00 13.34 O ATOM 414 CB GLU A 31 -4.639 -12.477 -9.747 1.00 1.52 C ATOM 415 CG GLU A 31 -3.501 -12.474 -8.724 1.00 14.12 C ATOM 416 CD GLU A 31 -2.282 -13.228 -9.258 1.00 61.02 C ATOM 417 OE1 GLU A 31 -1.579 -12.721 -10.145 1.00 52.30 O ATOM 418 OE2 GLU A 31 -2.074 -14.382 -8.719 1.00 12.14 O ATOM 0 H GLU A 31 -6.556 -10.799 -10.963 1.00 31.32 H new ATOM 0 HA GLU A 31 -6.318 -12.334 -8.443 1.00 72.35 H new ATOM 0 HB2 GLU A 31 -4.920 -13.504 -9.981 1.00 1.52 H new ATOM 0 HB3 GLU A 31 -4.299 -12.020 -10.676 1.00 1.52 H new ATOM 0 HG2 GLU A 31 -3.223 -11.447 -8.487 1.00 14.12 H new ATOM 0 HG3 GLU A 31 -3.840 -12.934 -7.796 1.00 14.12 H new ATOM 425 N ASP A 32 -4.940 -10.482 -7.359 1.00 73.11 N ATOM 426 CA ASP A 32 -4.504 -9.299 -6.637 1.00 62.15 C ATOM 427 C ASP A 32 -3.049 -8.994 -6.999 1.00 30.30 C ATOM 428 O ASP A 32 -2.132 -9.639 -6.494 1.00 43.21 O ATOM 429 CB ASP A 32 -4.579 -9.518 -5.125 1.00 53.13 C ATOM 430 CG ASP A 32 -5.803 -10.301 -4.645 1.00 61.53 C ATOM 431 OD1 ASP A 32 -6.827 -10.375 -5.341 1.00 13.45 O ATOM 432 OD2 ASP A 32 -5.675 -10.858 -3.488 1.00 65.43 O ATOM 0 H ASP A 32 -4.826 -11.358 -6.850 1.00 73.11 H new ATOM 0 HA ASP A 32 -5.159 -8.473 -6.915 1.00 62.15 H new ATOM 0 HB2 ASP A 32 -3.680 -10.045 -4.804 1.00 53.13 H new ATOM 0 HB3 ASP A 32 -4.572 -8.546 -4.631 1.00 53.13 H new ATOM 437 N MET A 33 -2.883 -8.010 -7.870 1.00 53.21 N ATOM 438 CA MET A 33 -1.555 -7.612 -8.306 1.00 13.44 C ATOM 439 C MET A 33 -0.562 -7.658 -7.144 1.00 5.14 C ATOM 440 O MET A 33 -0.807 -7.076 -6.088 1.00 31.11 O ATOM 441 CB MET A 33 -1.609 -6.192 -8.875 1.00 63.41 C ATOM 442 CG MET A 33 -1.819 -6.218 -10.391 1.00 74.50 C ATOM 443 SD MET A 33 -0.754 -5.020 -11.175 1.00 44.21 S ATOM 444 CE MET A 33 -1.476 -3.510 -10.553 1.00 41.04 C ATOM 0 H MET A 33 -3.646 -7.476 -8.286 1.00 53.21 H new ATOM 0 HA MET A 33 -1.220 -8.309 -9.075 1.00 13.44 H new ATOM 0 HB2 MET A 33 -2.419 -5.637 -8.401 1.00 63.41 H new ATOM 0 HB3 MET A 33 -0.683 -5.667 -8.641 1.00 63.41 H new ATOM 0 HG2 MET A 33 -1.607 -7.214 -10.779 1.00 74.50 H new ATOM 0 HG3 MET A 33 -2.861 -6.000 -10.626 1.00 74.50 H new ATOM 0 HE1 MET A 33 -1.627 -2.813 -11.377 1.00 41.04 H new ATOM 0 HE2 MET A 33 -2.435 -3.731 -10.084 1.00 41.04 H new ATOM 0 HE3 MET A 33 -0.807 -3.063 -9.817 1.00 41.04 H new ATOM 454 N VAL A 34 0.541 -8.355 -7.377 1.00 75.44 N ATOM 455 CA VAL A 34 1.574 -8.485 -6.364 1.00 31.22 C ATOM 456 C VAL A 34 2.465 -7.241 -6.387 1.00 64.44 C ATOM 457 O VAL A 34 2.455 -6.485 -7.357 1.00 22.11 O ATOM 458 CB VAL A 34 2.353 -9.784 -6.574 1.00 62.42 C ATOM 459 CG1 VAL A 34 3.218 -10.109 -5.354 1.00 73.54 C ATOM 460 CG2 VAL A 34 1.410 -10.942 -6.903 1.00 23.51 C ATOM 0 H VAL A 34 0.741 -8.836 -8.254 1.00 75.44 H new ATOM 0 HA VAL A 34 1.129 -8.547 -5.371 1.00 31.22 H new ATOM 0 HB VAL A 34 3.018 -9.642 -7.426 1.00 62.42 H new ATOM 0 HG11 VAL A 34 3.761 -11.038 -5.530 1.00 73.54 H new ATOM 0 HG12 VAL A 34 3.928 -9.299 -5.185 1.00 73.54 H new ATOM 0 HG13 VAL A 34 2.582 -10.222 -4.476 1.00 73.54 H new ATOM 0 HG21 VAL A 34 1.990 -11.854 -7.048 1.00 23.51 H new ATOM 0 HG22 VAL A 34 0.708 -11.085 -6.081 1.00 23.51 H new ATOM 0 HG23 VAL A 34 0.859 -10.714 -7.815 1.00 23.51 H new ATOM 470 N LYS A 35 3.215 -7.069 -5.308 1.00 74.44 N ATOM 471 CA LYS A 35 4.111 -5.931 -5.194 1.00 55.32 C ATOM 472 C LYS A 35 5.559 -6.420 -5.246 1.00 40.13 C ATOM 473 O LYS A 35 5.866 -7.514 -4.775 1.00 1.22 O ATOM 474 CB LYS A 35 3.782 -5.114 -3.942 1.00 31.43 C ATOM 475 CG LYS A 35 4.566 -5.627 -2.732 1.00 34.03 C ATOM 476 CD LYS A 35 5.924 -4.933 -2.625 1.00 63.13 C ATOM 477 CE LYS A 35 5.767 -3.491 -2.140 1.00 12.11 C ATOM 478 NZ LYS A 35 6.976 -2.700 -2.462 1.00 62.43 N ATOM 0 H LYS A 35 3.220 -7.699 -4.505 1.00 74.44 H new ATOM 0 HA LYS A 35 3.974 -5.252 -6.035 1.00 55.32 H new ATOM 0 HB2 LYS A 35 4.019 -4.064 -4.115 1.00 31.43 H new ATOM 0 HB3 LYS A 35 2.713 -5.170 -3.737 1.00 31.43 H new ATOM 0 HG2 LYS A 35 3.992 -5.453 -1.822 1.00 34.03 H new ATOM 0 HG3 LYS A 35 4.710 -6.704 -2.817 1.00 34.03 H new ATOM 0 HD2 LYS A 35 6.565 -5.484 -1.936 1.00 63.13 H new ATOM 0 HD3 LYS A 35 6.418 -4.942 -3.596 1.00 63.13 H new ATOM 0 HE2 LYS A 35 4.893 -3.037 -2.608 1.00 12.11 H new ATOM 0 HE3 LYS A 35 5.594 -3.480 -1.064 1.00 12.11 H new ATOM 0 HZ1 LYS A 35 6.845 -1.720 -2.141 1.00 62.43 H new ATOM 0 HZ2 LYS A 35 7.800 -3.115 -1.982 1.00 62.43 H new ATOM 0 HZ3 LYS A 35 7.133 -2.709 -3.490 1.00 62.43 H new ATOM 491 N GLN A 36 6.411 -5.585 -5.824 1.00 31.50 N ATOM 492 CA GLN A 36 7.820 -5.919 -5.944 1.00 31.21 C ATOM 493 C GLN A 36 8.592 -5.411 -4.725 1.00 40.14 C ATOM 494 O GLN A 36 9.812 -5.549 -4.657 1.00 1.33 O ATOM 495 CB GLN A 36 8.408 -5.356 -7.240 1.00 22.40 C ATOM 496 CG GLN A 36 7.391 -5.427 -8.380 1.00 50.52 C ATOM 497 CD GLN A 36 7.350 -6.829 -8.992 1.00 1.42 C ATOM 498 OE1 GLN A 36 8.274 -7.273 -9.653 1.00 11.41 O ATOM 499 NE2 GLN A 36 6.229 -7.498 -8.736 1.00 4.03 N ATOM 0 H GLN A 36 6.153 -4.679 -6.214 1.00 31.50 H new ATOM 0 HA GLN A 36 7.914 -7.004 -5.982 1.00 31.21 H new ATOM 0 HB2 GLN A 36 8.714 -4.321 -7.085 1.00 22.40 H new ATOM 0 HB3 GLN A 36 9.303 -5.916 -7.511 1.00 22.40 H new ATOM 0 HG2 GLN A 36 6.402 -5.160 -8.007 1.00 50.52 H new ATOM 0 HG3 GLN A 36 7.649 -4.698 -9.148 1.00 50.52 H new ATOM 0 HE21 GLN A 36 5.494 -7.067 -8.175 1.00 4.03 H new ATOM 0 HE22 GLN A 36 6.104 -8.442 -9.101 1.00 4.03 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -3.361 -0.499 -22.521 1.00 12.03 N ATOM 510 CA ALA B 1 -2.119 -0.026 -21.934 1.00 61.43 C ATOM 511 C ALA B 1 -0.938 -0.611 -22.711 1.00 22.31 C ATOM 512 O ALA B 1 -0.753 -1.827 -22.744 1.00 1.14 O ATOM 513 CB ALA B 1 -2.081 -0.397 -20.450 1.00 41.22 C ATOM 0 H1 ALA B 1 -4.166 -0.103 -21.995 1.00 12.03 H new ATOM 0 H2 ALA B 1 -3.413 -0.195 -23.514 1.00 12.03 H new ATOM 0 H3 ALA B 1 -3.394 -1.537 -22.474 1.00 12.03 H new ATOM 0 HA ALA B 1 -2.053 1.060 -22.000 1.00 61.43 H new ATOM 0 HB1 ALA B 1 -1.149 -0.042 -20.010 1.00 41.22 H new ATOM 0 HB2 ALA B 1 -2.924 0.066 -19.937 1.00 41.22 H new ATOM 0 HB3 ALA B 1 -2.143 -1.480 -20.344 1.00 41.22 H new ATOM 519 N ASN B 2 -0.169 0.281 -23.317 1.00 3.20 N ATOM 520 CA ASN B 2 0.989 -0.130 -24.091 1.00 62.44 C ATOM 521 C ASN B 2 2.260 0.387 -23.415 1.00 64.41 C ATOM 522 O ASN B 2 3.122 0.971 -24.070 1.00 2.34 O ATOM 523 CB ASN B 2 0.939 0.447 -25.508 1.00 12.13 C ATOM 524 CG ASN B 2 0.050 -0.404 -26.415 1.00 72.53 C ATOM 525 OD1 ASN B 2 0.301 -1.574 -26.653 1.00 74.23 O ATOM 526 ND2 ASN B 2 -1.000 0.245 -26.908 1.00 14.51 N ATOM 0 H ASN B 2 -0.326 1.288 -23.287 1.00 3.20 H new ATOM 0 HA ASN B 2 0.988 -1.219 -24.145 1.00 62.44 H new ATOM 0 HB2 ASN B 2 0.560 1.468 -25.475 1.00 12.13 H new ATOM 0 HB3 ASN B 2 1.947 0.494 -25.921 1.00 12.13 H new ATOM 0 HD21 ASN B 2 -1.654 -0.237 -27.525 1.00 14.51 H new ATOM 0 HD22 ASN B 2 -1.152 1.225 -26.669 1.00 14.51 H new ATOM 533 N GLU B 3 2.337 0.153 -22.113 1.00 74.44 N ATOM 534 CA GLU B 3 3.488 0.587 -21.341 1.00 11.35 C ATOM 535 C GLU B 3 3.664 2.102 -21.457 1.00 72.01 C ATOM 536 O GLU B 3 3.321 2.694 -22.480 1.00 14.13 O ATOM 537 CB GLU B 3 4.754 -0.148 -21.784 1.00 3.43 C ATOM 538 CG GLU B 3 6.006 0.532 -21.225 1.00 30.32 C ATOM 539 CD GLU B 3 7.175 -0.452 -21.145 1.00 32.51 C ATOM 540 OE1 GLU B 3 7.153 -1.496 -21.813 1.00 71.33 O ATOM 541 OE2 GLU B 3 8.132 -0.100 -20.354 1.00 72.34 O ATOM 0 H GLU B 3 1.620 -0.332 -21.573 1.00 74.44 H new ATOM 0 HA GLU B 3 3.313 0.341 -20.294 1.00 11.35 H new ATOM 0 HB2 GLU B 3 4.716 -1.183 -21.445 1.00 3.43 H new ATOM 0 HB3 GLU B 3 4.803 -0.171 -22.873 1.00 3.43 H new ATOM 0 HG2 GLU B 3 6.279 1.376 -21.858 1.00 30.32 H new ATOM 0 HG3 GLU B 3 5.795 0.933 -20.234 1.00 30.32 H new ATOM 548 N GLY B 4 4.197 2.687 -20.395 1.00 2.24 N ATOM 549 CA GLY B 4 4.423 4.122 -20.365 1.00 12.10 C ATOM 550 C GLY B 4 3.101 4.883 -20.237 1.00 20.03 C ATOM 551 O GLY B 4 3.082 6.112 -20.276 1.00 71.23 O ATOM 0 H GLY B 4 4.479 2.193 -19.548 1.00 2.24 H new ATOM 0 HA2 GLY B 4 5.074 4.374 -19.528 1.00 12.10 H new ATOM 0 HA3 GLY B 4 4.938 4.432 -21.274 1.00 12.10 H new ATOM 555 N ASP B 5 2.029 4.119 -20.085 1.00 74.14 N ATOM 556 CA ASP B 5 0.706 4.705 -19.950 1.00 11.33 C ATOM 557 C ASP B 5 0.354 4.823 -18.466 1.00 52.34 C ATOM 558 O ASP B 5 0.714 3.959 -17.668 1.00 45.24 O ATOM 559 CB ASP B 5 -0.355 3.829 -20.619 1.00 41.43 C ATOM 560 CG ASP B 5 0.147 2.988 -21.795 1.00 5.13 C ATOM 561 OD1 ASP B 5 0.652 1.846 -21.470 1.00 5.20 O ATOM 562 OD2 ASP B 5 0.062 3.403 -22.960 1.00 1.13 O ATOM 0 H ASP B 5 2.050 3.100 -20.052 1.00 74.14 H new ATOM 0 HA ASP B 5 0.720 5.684 -20.429 1.00 11.33 H new ATOM 0 HB2 ASP B 5 -0.778 3.161 -19.869 1.00 41.43 H new ATOM 0 HB3 ASP B 5 -1.165 4.469 -20.969 1.00 41.43 H new ATOM 567 N VAL B 6 -0.346 5.900 -18.141 1.00 14.22 N ATOM 568 CA VAL B 6 -0.751 6.142 -16.766 1.00 24.13 C ATOM 569 C VAL B 6 -2.248 5.861 -16.623 1.00 14.01 C ATOM 570 O VAL B 6 -3.036 6.211 -17.500 1.00 50.12 O ATOM 571 CB VAL B 6 -0.367 7.564 -16.350 1.00 71.33 C ATOM 572 CG1 VAL B 6 -1.161 8.008 -15.120 1.00 33.31 C ATOM 573 CG2 VAL B 6 1.138 7.674 -16.101 1.00 33.25 C ATOM 0 H VAL B 6 -0.643 6.615 -18.805 1.00 14.22 H new ATOM 0 HA VAL B 6 -0.227 5.467 -16.089 1.00 24.13 H new ATOM 0 HB VAL B 6 -0.620 8.234 -17.172 1.00 71.33 H new ATOM 0 HG11 VAL B 6 -0.869 9.022 -14.845 1.00 33.31 H new ATOM 0 HG12 VAL B 6 -2.227 7.986 -15.348 1.00 33.31 H new ATOM 0 HG13 VAL B 6 -0.953 7.333 -14.290 1.00 33.31 H new ATOM 0 HG21 VAL B 6 1.385 8.694 -15.807 1.00 33.25 H new ATOM 0 HG22 VAL B 6 1.426 6.987 -15.305 1.00 33.25 H new ATOM 0 HG23 VAL B 6 1.677 7.419 -17.013 1.00 33.25 H new ATOM 583 N TYR B 7 -2.596 5.231 -15.511 1.00 32.43 N ATOM 584 CA TYR B 7 -3.984 4.899 -15.241 1.00 71.31 C ATOM 585 C TYR B 7 -4.394 5.350 -13.839 1.00 11.45 C ATOM 586 O TYR B 7 -3.724 5.030 -12.858 1.00 23.30 O ATOM 587 CB TYR B 7 -4.077 3.373 -15.319 1.00 44.23 C ATOM 588 CG TYR B 7 -4.469 2.844 -16.700 1.00 71.41 C ATOM 589 CD1 TYR B 7 -3.638 3.052 -17.781 1.00 24.52 C ATOM 590 CD2 TYR B 7 -5.656 2.157 -16.864 1.00 4.04 C ATOM 591 CE1 TYR B 7 -4.008 2.552 -19.080 1.00 43.33 C ATOM 592 CE2 TYR B 7 -6.025 1.659 -18.163 1.00 34.31 C ATOM 593 CZ TYR B 7 -5.183 1.881 -19.207 1.00 51.32 C ATOM 594 OH TYR B 7 -5.532 1.410 -20.434 1.00 74.33 O ATOM 0 H TYR B 7 -1.940 4.941 -14.786 1.00 32.43 H new ATOM 0 HA TYR B 7 -4.641 5.396 -15.955 1.00 71.31 H new ATOM 0 HB2 TYR B 7 -3.115 2.946 -15.037 1.00 44.23 H new ATOM 0 HB3 TYR B 7 -4.807 3.026 -14.587 1.00 44.23 H new ATOM 0 HD1 TYR B 7 -2.710 3.590 -17.653 1.00 24.52 H new ATOM 0 HD2 TYR B 7 -6.307 1.994 -16.018 1.00 4.04 H new ATOM 0 HE1 TYR B 7 -3.366 2.707 -19.934 1.00 43.33 H new ATOM 0 HE2 TYR B 7 -6.950 1.121 -18.305 1.00 34.31 H new ATOM 0 HH TYR B 7 -6.396 0.950 -20.375 1.00 74.33 H new ATOM 604 N LYS B 8 -5.493 6.090 -13.787 1.00 13.01 N ATOM 605 CA LYS B 8 -6.000 6.589 -12.520 1.00 53.21 C ATOM 606 C LYS B 8 -7.463 6.170 -12.360 1.00 62.41 C ATOM 607 O LYS B 8 -8.108 5.774 -13.329 1.00 50.21 O ATOM 608 CB LYS B 8 -5.779 8.099 -12.412 1.00 45.43 C ATOM 609 CG LYS B 8 -6.550 8.684 -11.228 1.00 33.50 C ATOM 610 CD LYS B 8 -6.283 10.183 -11.085 1.00 40.32 C ATOM 611 CE LYS B 8 -6.304 10.607 -9.615 1.00 61.13 C ATOM 612 NZ LYS B 8 -5.392 11.751 -9.393 1.00 12.32 N ATOM 0 H LYS B 8 -6.046 6.356 -14.602 1.00 13.01 H new ATOM 0 HA LYS B 8 -5.449 6.148 -11.689 1.00 53.21 H new ATOM 0 HB2 LYS B 8 -4.715 8.307 -12.296 1.00 45.43 H new ATOM 0 HB3 LYS B 8 -6.100 8.584 -13.334 1.00 45.43 H new ATOM 0 HG2 LYS B 8 -7.618 8.513 -11.365 1.00 33.50 H new ATOM 0 HG3 LYS B 8 -6.260 8.171 -10.311 1.00 33.50 H new ATOM 0 HD2 LYS B 8 -5.315 10.427 -11.524 1.00 40.32 H new ATOM 0 HD3 LYS B 8 -7.035 10.744 -11.640 1.00 40.32 H new ATOM 0 HE2 LYS B 8 -7.318 10.881 -9.324 1.00 61.13 H new ATOM 0 HE3 LYS B 8 -6.006 9.769 -8.984 1.00 61.13 H new ATOM 0 HZ1 LYS B 8 -4.878 11.617 -8.499 1.00 12.32 H new ATOM 0 HZ2 LYS B 8 -4.712 11.811 -10.178 1.00 12.32 H new ATOM 0 HZ3 LYS B 8 -5.944 12.631 -9.346 1.00 12.32 H new ATOM 625 N CYS B 9 -7.943 6.270 -11.130 1.00 12.54 N ATOM 626 CA CYS B 9 -9.318 5.907 -10.830 1.00 45.03 C ATOM 627 C CYS B 9 -10.144 7.190 -10.737 1.00 54.21 C ATOM 628 O CYS B 9 -9.593 8.290 -10.732 1.00 54.11 O ATOM 629 CB CYS B 9 -9.416 5.071 -9.552 1.00 60.40 C ATOM 630 SG CYS B 9 -10.987 4.150 -9.356 1.00 42.12 S ATOM 0 H CYS B 9 -7.404 6.597 -10.328 1.00 12.54 H new ATOM 0 HA CYS B 9 -9.714 5.279 -11.628 1.00 45.03 H new ATOM 0 HB2 CYS B 9 -8.590 4.360 -9.535 1.00 60.40 H new ATOM 0 HB3 CYS B 9 -9.287 5.730 -8.693 1.00 60.40 H new ATOM 635 N GLU B 10 -11.455 7.007 -10.667 1.00 41.41 N ATOM 636 CA GLU B 10 -12.364 8.138 -10.576 1.00 21.54 C ATOM 637 C GLU B 10 -13.118 8.105 -9.245 1.00 32.24 C ATOM 638 O GLU B 10 -14.076 8.852 -9.051 1.00 44.40 O ATOM 639 CB GLU B 10 -13.337 8.156 -11.756 1.00 62.23 C ATOM 640 CG GLU B 10 -12.625 7.785 -13.059 1.00 35.42 C ATOM 641 CD GLU B 10 -12.743 8.910 -14.088 1.00 13.41 C ATOM 642 OE1 GLU B 10 -13.861 9.328 -14.425 1.00 31.20 O ATOM 643 OE2 GLU B 10 -11.620 9.355 -14.541 1.00 71.34 O ATOM 0 H GLU B 10 -11.909 6.094 -10.671 1.00 41.41 H new ATOM 0 HA GLU B 10 -11.777 9.056 -10.618 1.00 21.54 H new ATOM 0 HB2 GLU B 10 -14.152 7.456 -11.571 1.00 62.23 H new ATOM 0 HB3 GLU B 10 -13.782 9.146 -11.850 1.00 62.23 H new ATOM 0 HG2 GLU B 10 -11.573 7.581 -12.857 1.00 35.42 H new ATOM 0 HG3 GLU B 10 -13.056 6.870 -13.465 1.00 35.42 H new ATOM 650 N LEU B 11 -12.657 7.231 -8.362 1.00 13.45 N ATOM 651 CA LEU B 11 -13.277 7.093 -7.054 1.00 23.21 C ATOM 652 C LEU B 11 -12.186 7.006 -5.985 1.00 5.35 C ATOM 653 O LEU B 11 -12.024 7.926 -5.183 1.00 31.15 O ATOM 654 CB LEU B 11 -14.243 5.906 -7.043 1.00 21.15 C ATOM 655 CG LEU B 11 -14.435 5.210 -5.693 1.00 45.13 C ATOM 656 CD1 LEU B 11 -15.353 6.025 -4.781 1.00 60.42 C ATOM 657 CD2 LEU B 11 -14.937 3.777 -5.882 1.00 53.44 C ATOM 0 H LEU B 11 -11.863 6.612 -8.526 1.00 13.45 H new ATOM 0 HA LEU B 11 -13.882 7.970 -6.824 1.00 23.21 H new ATOM 0 HB2 LEU B 11 -15.216 6.251 -7.393 1.00 21.15 H new ATOM 0 HB3 LEU B 11 -13.889 5.168 -7.763 1.00 21.15 H new ATOM 0 HG LEU B 11 -13.465 5.148 -5.199 1.00 45.13 H new ATOM 0 HD11 LEU B 11 -15.472 5.508 -3.829 1.00 60.42 H new ATOM 0 HD12 LEU B 11 -14.914 7.008 -4.608 1.00 60.42 H new ATOM 0 HD13 LEU B 11 -16.327 6.141 -5.255 1.00 60.42 H new ATOM 0 HD21 LEU B 11 -15.065 3.305 -4.908 1.00 53.44 H new ATOM 0 HD22 LEU B 11 -15.893 3.792 -6.406 1.00 53.44 H new ATOM 0 HD23 LEU B 11 -14.211 3.211 -6.467 1.00 53.44 H new ATOM 669 N CYS B 12 -11.466 5.895 -6.007 1.00 25.22 N ATOM 670 CA CYS B 12 -10.394 5.678 -5.049 1.00 60.43 C ATOM 671 C CYS B 12 -9.322 6.745 -5.278 1.00 4.14 C ATOM 672 O CYS B 12 -8.467 6.964 -4.421 1.00 32.33 O ATOM 673 CB CYS B 12 -9.821 4.263 -5.152 1.00 74.43 C ATOM 674 SG CYS B 12 -8.887 3.922 -6.689 1.00 1.53 S ATOM 0 H CYS B 12 -11.603 5.135 -6.673 1.00 25.22 H new ATOM 0 HA CYS B 12 -10.785 5.768 -4.036 1.00 60.43 H new ATOM 0 HB2 CYS B 12 -9.165 4.089 -4.299 1.00 74.43 H new ATOM 0 HB3 CYS B 12 -10.640 3.548 -5.075 1.00 74.43 H new ATOM 679 N GLY B 13 -9.402 7.380 -6.437 1.00 53.33 N ATOM 680 CA GLY B 13 -8.449 8.420 -6.788 1.00 62.54 C ATOM 681 C GLY B 13 -7.016 7.887 -6.740 1.00 24.11 C ATOM 682 O GLY B 13 -6.112 8.568 -6.256 1.00 15.40 O ATOM 0 H GLY B 13 -10.112 7.195 -7.146 1.00 53.33 H new ATOM 0 HA2 GLY B 13 -8.668 8.797 -7.787 1.00 62.54 H new ATOM 0 HA3 GLY B 13 -8.552 9.260 -6.101 1.00 62.54 H new ATOM 686 N GLN B 14 -6.850 6.675 -7.249 1.00 21.25 N ATOM 687 CA GLN B 14 -5.542 6.044 -7.270 1.00 30.54 C ATOM 688 C GLN B 14 -4.885 6.228 -8.639 1.00 22.10 C ATOM 689 O GLN B 14 -5.535 6.061 -9.671 1.00 5.34 O ATOM 690 CB GLN B 14 -5.642 4.561 -6.904 1.00 41.33 C ATOM 691 CG GLN B 14 -4.306 3.849 -7.128 1.00 2.42 C ATOM 692 CD GLN B 14 -4.058 2.797 -6.045 1.00 65.04 C ATOM 693 OE1 GLN B 14 -3.115 2.873 -5.274 1.00 61.44 O ATOM 694 NE2 GLN B 14 -4.953 1.814 -6.032 1.00 22.22 N ATOM 0 H GLN B 14 -7.601 6.113 -7.650 1.00 21.25 H new ATOM 0 HA GLN B 14 -4.915 6.528 -6.521 1.00 30.54 H new ATOM 0 HB2 GLN B 14 -5.942 4.460 -5.861 1.00 41.33 H new ATOM 0 HB3 GLN B 14 -6.417 4.086 -7.506 1.00 41.33 H new ATOM 0 HG2 GLN B 14 -4.303 3.374 -8.109 1.00 2.42 H new ATOM 0 HG3 GLN B 14 -3.496 4.578 -7.124 1.00 2.42 H new ATOM 0 HE21 GLN B 14 -5.718 1.812 -6.706 1.00 22.22 H new ATOM 0 HE22 GLN B 14 -4.874 1.062 -5.348 1.00 22.22 H new ATOM 703 N VAL B 15 -3.605 6.568 -8.606 1.00 14.22 N ATOM 704 CA VAL B 15 -2.854 6.777 -9.831 1.00 24.01 C ATOM 705 C VAL B 15 -1.695 5.779 -9.890 1.00 2.31 C ATOM 706 O VAL B 15 -0.976 5.601 -8.908 1.00 43.04 O ATOM 707 CB VAL B 15 -2.395 8.233 -9.922 1.00 50.33 C ATOM 708 CG1 VAL B 15 -1.716 8.511 -11.265 1.00 44.35 C ATOM 709 CG2 VAL B 15 -3.564 9.192 -9.690 1.00 5.13 C ATOM 0 H VAL B 15 -3.069 6.704 -7.749 1.00 14.22 H new ATOM 0 HA VAL B 15 -3.484 6.595 -10.701 1.00 24.01 H new ATOM 0 HB VAL B 15 -1.661 8.403 -9.134 1.00 50.33 H new ATOM 0 HG11 VAL B 15 -1.399 9.553 -11.304 1.00 44.35 H new ATOM 0 HG12 VAL B 15 -0.846 7.863 -11.374 1.00 44.35 H new ATOM 0 HG13 VAL B 15 -2.418 8.315 -12.075 1.00 44.35 H new ATOM 0 HG21 VAL B 15 -3.210 10.221 -9.760 1.00 5.13 H new ATOM 0 HG22 VAL B 15 -4.331 9.020 -10.445 1.00 5.13 H new ATOM 0 HG23 VAL B 15 -3.985 9.020 -8.699 1.00 5.13 H new ATOM 719 N VAL B 16 -1.550 5.157 -11.050 1.00 23.14 N ATOM 720 CA VAL B 16 -0.491 4.183 -11.249 1.00 31.21 C ATOM 721 C VAL B 16 0.061 4.318 -12.670 1.00 1.01 C ATOM 722 O VAL B 16 -0.579 4.918 -13.534 1.00 22.25 O ATOM 723 CB VAL B 16 -1.009 2.776 -10.941 1.00 62.32 C ATOM 724 CG1 VAL B 16 -1.189 2.576 -9.435 1.00 13.32 C ATOM 725 CG2 VAL B 16 -2.312 2.495 -11.692 1.00 65.51 C ATOM 0 H VAL B 16 -2.148 5.309 -11.862 1.00 23.14 H new ATOM 0 HA VAL B 16 0.333 4.370 -10.561 1.00 31.21 H new ATOM 0 HB VAL B 16 -0.263 2.061 -11.287 1.00 62.32 H new ATOM 0 HG11 VAL B 16 -1.558 1.568 -9.243 1.00 13.32 H new ATOM 0 HG12 VAL B 16 -0.231 2.714 -8.933 1.00 13.32 H new ATOM 0 HG13 VAL B 16 -1.906 3.303 -9.055 1.00 13.32 H new ATOM 0 HG21 VAL B 16 -2.658 1.489 -11.456 1.00 65.51 H new ATOM 0 HG22 VAL B 16 -3.069 3.219 -11.391 1.00 65.51 H new ATOM 0 HG23 VAL B 16 -2.138 2.576 -12.765 1.00 65.51 H new ATOM 735 N LYS B 17 1.242 3.752 -12.868 1.00 4.40 N ATOM 736 CA LYS B 17 1.887 3.803 -14.169 1.00 43.11 C ATOM 737 C LYS B 17 1.883 2.405 -14.791 1.00 31.51 C ATOM 738 O LYS B 17 1.650 1.415 -14.099 1.00 70.13 O ATOM 739 CB LYS B 17 3.283 4.419 -14.052 1.00 13.32 C ATOM 740 CG LYS B 17 3.641 5.209 -15.313 1.00 34.33 C ATOM 741 CD LYS B 17 5.095 4.962 -15.720 1.00 23.40 C ATOM 742 CE LYS B 17 5.209 4.724 -17.227 1.00 32.44 C ATOM 743 NZ LYS B 17 6.166 5.678 -17.831 1.00 25.33 N ATOM 0 H LYS B 17 1.769 3.256 -12.150 1.00 4.40 H new ATOM 0 HA LYS B 17 1.331 4.455 -14.843 1.00 43.11 H new ATOM 0 HB2 LYS B 17 3.323 5.076 -13.183 1.00 13.32 H new ATOM 0 HB3 LYS B 17 4.019 3.632 -13.890 1.00 13.32 H new ATOM 0 HG2 LYS B 17 2.977 4.920 -16.128 1.00 34.33 H new ATOM 0 HG3 LYS B 17 3.485 6.273 -15.136 1.00 34.33 H new ATOM 0 HD2 LYS B 17 5.706 5.819 -15.436 1.00 23.40 H new ATOM 0 HD3 LYS B 17 5.486 4.099 -15.181 1.00 23.40 H new ATOM 0 HE2 LYS B 17 5.537 3.702 -17.416 1.00 32.44 H new ATOM 0 HE3 LYS B 17 4.231 4.836 -17.694 1.00 32.44 H new ATOM 0 HZ1 LYS B 17 6.750 5.184 -18.536 1.00 25.33 H new ATOM 0 HZ2 LYS B 17 5.643 6.449 -18.293 1.00 25.33 H new ATOM 0 HZ3 LYS B 17 6.779 6.072 -17.089 1.00 25.33 H new ATOM 756 N VAL B 18 2.142 2.368 -16.090 1.00 4.54 N ATOM 757 CA VAL B 18 2.171 1.108 -16.812 1.00 51.31 C ATOM 758 C VAL B 18 3.604 0.816 -17.263 1.00 50.20 C ATOM 759 O VAL B 18 3.986 1.151 -18.383 1.00 52.24 O ATOM 760 CB VAL B 18 1.175 1.148 -17.973 1.00 32.43 C ATOM 761 CG1 VAL B 18 1.242 -0.140 -18.797 1.00 32.41 C ATOM 762 CG2 VAL B 18 -0.246 1.402 -17.467 1.00 33.41 C ATOM 0 H VAL B 18 2.334 3.191 -16.661 1.00 4.54 H new ATOM 0 HA VAL B 18 1.861 0.289 -16.163 1.00 51.31 H new ATOM 0 HB VAL B 18 1.452 1.977 -18.624 1.00 32.43 H new ATOM 0 HG11 VAL B 18 0.524 -0.086 -19.616 1.00 32.41 H new ATOM 0 HG12 VAL B 18 2.247 -0.261 -19.202 1.00 32.41 H new ATOM 0 HG13 VAL B 18 1.003 -0.992 -18.161 1.00 32.41 H new ATOM 0 HG21 VAL B 18 -0.934 1.426 -18.312 1.00 33.41 H new ATOM 0 HG22 VAL B 18 -0.537 0.604 -16.784 1.00 33.41 H new ATOM 0 HG23 VAL B 18 -0.281 2.358 -16.944 1.00 33.41 H new ATOM 772 N LEU B 19 4.357 0.194 -16.367 1.00 41.44 N ATOM 773 CA LEU B 19 5.739 -0.146 -16.660 1.00 4.54 C ATOM 774 C LEU B 19 5.778 -1.170 -17.796 1.00 44.42 C ATOM 775 O LEU B 19 6.612 -1.072 -18.695 1.00 64.12 O ATOM 776 CB LEU B 19 6.456 -0.609 -15.389 1.00 61.25 C ATOM 777 CG LEU B 19 7.960 -0.328 -15.329 1.00 34.51 C ATOM 778 CD1 LEU B 19 8.361 0.208 -13.954 1.00 24.24 C ATOM 779 CD2 LEU B 19 8.764 -1.571 -15.717 1.00 1.33 C ATOM 0 H LEU B 19 4.036 -0.083 -15.439 1.00 41.44 H new ATOM 0 HA LEU B 19 6.284 0.733 -17.005 1.00 4.54 H new ATOM 0 HB2 LEU B 19 5.982 -0.129 -14.533 1.00 61.25 H new ATOM 0 HB3 LEU B 19 6.302 -1.682 -15.279 1.00 61.25 H new ATOM 0 HG LEU B 19 8.194 0.448 -16.058 1.00 34.51 H new ATOM 0 HD11 LEU B 19 9.434 0.400 -13.937 1.00 24.24 H new ATOM 0 HD12 LEU B 19 7.824 1.135 -13.754 1.00 24.24 H new ATOM 0 HD13 LEU B 19 8.112 -0.528 -13.190 1.00 24.24 H new ATOM 0 HD21 LEU B 19 9.829 -1.346 -15.667 1.00 1.33 H new ATOM 0 HD22 LEU B 19 8.532 -2.384 -15.029 1.00 1.33 H new ATOM 0 HD23 LEU B 19 8.504 -1.870 -16.732 1.00 1.33 H new ATOM 791 N GLU B 20 4.867 -2.127 -17.718 1.00 74.33 N ATOM 792 CA GLU B 20 4.786 -3.168 -18.729 1.00 50.25 C ATOM 793 C GLU B 20 3.326 -3.541 -18.992 1.00 72.20 C ATOM 794 O GLU B 20 2.581 -3.842 -18.060 1.00 44.25 O ATOM 795 CB GLU B 20 5.601 -4.396 -18.318 1.00 2.31 C ATOM 796 CG GLU B 20 5.180 -5.627 -19.124 1.00 23.53 C ATOM 797 CD GLU B 20 5.605 -5.496 -20.587 1.00 62.41 C ATOM 798 OE1 GLU B 20 4.958 -4.609 -21.264 1.00 41.53 O ATOM 799 OE2 GLU B 20 6.509 -6.216 -21.039 1.00 12.24 O ATOM 0 H GLU B 20 4.178 -2.204 -16.970 1.00 74.33 H new ATOM 0 HA GLU B 20 5.214 -2.782 -19.654 1.00 50.25 H new ATOM 0 HB2 GLU B 20 6.662 -4.201 -18.472 1.00 2.31 H new ATOM 0 HB3 GLU B 20 5.464 -4.589 -17.254 1.00 2.31 H new ATOM 0 HG2 GLU B 20 5.628 -6.521 -18.690 1.00 23.53 H new ATOM 0 HG3 GLU B 20 4.099 -5.752 -19.066 1.00 23.53 H new ATOM 806 N GLU B 21 2.961 -3.511 -20.265 1.00 54.33 N ATOM 807 CA GLU B 21 1.603 -3.842 -20.663 1.00 32.02 C ATOM 808 C GLU B 21 1.276 -5.287 -20.281 1.00 23.30 C ATOM 809 O GLU B 21 2.178 -6.105 -20.101 1.00 54.42 O ATOM 810 CB GLU B 21 1.397 -3.611 -22.161 1.00 13.44 C ATOM 811 CG GLU B 21 0.167 -4.365 -22.669 1.00 61.31 C ATOM 812 CD GLU B 21 0.000 -4.187 -24.179 1.00 61.40 C ATOM 813 OE1 GLU B 21 0.595 -3.271 -24.766 1.00 14.42 O ATOM 814 OE2 GLU B 21 -0.779 -5.046 -24.746 1.00 63.12 O ATOM 0 H GLU B 21 3.582 -3.262 -21.035 1.00 54.33 H new ATOM 0 HA GLU B 21 0.919 -3.181 -20.131 1.00 32.02 H new ATOM 0 HB2 GLU B 21 1.280 -2.545 -22.355 1.00 13.44 H new ATOM 0 HB3 GLU B 21 2.281 -3.940 -22.708 1.00 13.44 H new ATOM 0 HG2 GLU B 21 0.262 -5.425 -22.432 1.00 61.31 H new ATOM 0 HG3 GLU B 21 -0.724 -4.003 -22.156 1.00 61.31 H new ATOM 821 N GLY B 22 -0.016 -5.558 -20.169 1.00 21.42 N ATOM 822 CA GLY B 22 -0.472 -6.891 -19.812 1.00 71.43 C ATOM 823 C GLY B 22 -1.706 -7.284 -20.628 1.00 33.24 C ATOM 824 O GLY B 22 -2.147 -6.533 -21.495 1.00 13.32 O ATOM 0 H GLY B 22 -0.761 -4.878 -20.319 1.00 21.42 H new ATOM 0 HA2 GLY B 22 0.328 -7.611 -19.985 1.00 71.43 H new ATOM 0 HA3 GLY B 22 -0.708 -6.926 -18.748 1.00 71.43 H new ATOM 828 N GLY B 23 -2.228 -8.462 -20.319 1.00 33.41 N ATOM 829 CA GLY B 23 -3.402 -8.965 -21.012 1.00 54.53 C ATOM 830 C GLY B 23 -4.558 -9.197 -20.037 1.00 42.21 C ATOM 831 O GLY B 23 -5.196 -10.249 -20.063 1.00 5.24 O ATOM 0 H GLY B 23 -1.860 -9.083 -19.598 1.00 33.41 H new ATOM 0 HA2 GLY B 23 -3.707 -8.255 -21.780 1.00 54.53 H new ATOM 0 HA3 GLY B 23 -3.157 -9.898 -21.519 1.00 54.53 H new ATOM 835 N GLY B 24 -4.792 -8.197 -19.199 1.00 32.31 N ATOM 836 CA GLY B 24 -5.861 -8.279 -18.218 1.00 21.35 C ATOM 837 C GLY B 24 -6.528 -6.917 -18.018 1.00 75.30 C ATOM 838 O GLY B 24 -6.521 -6.081 -18.920 1.00 54.23 O ATOM 0 H GLY B 24 -4.260 -7.327 -19.179 1.00 32.31 H new ATOM 0 HA2 GLY B 24 -6.604 -9.007 -18.544 1.00 21.35 H new ATOM 0 HA3 GLY B 24 -5.461 -8.635 -17.268 1.00 21.35 H new ATOM 842 N THR B 25 -7.088 -6.736 -16.831 1.00 73.22 N ATOM 843 CA THR B 25 -7.759 -5.490 -16.502 1.00 20.13 C ATOM 844 C THR B 25 -7.214 -4.921 -15.190 1.00 61.43 C ATOM 845 O THR B 25 -6.889 -5.672 -14.272 1.00 4.23 O ATOM 846 CB THR B 25 -9.264 -5.758 -16.469 1.00 11.51 C ATOM 847 OG1 THR B 25 -9.619 -5.921 -17.840 1.00 23.13 O ATOM 848 CG2 THR B 25 -10.067 -4.535 -16.021 1.00 2.32 C ATOM 0 H THR B 25 -7.091 -7.432 -16.085 1.00 73.22 H new ATOM 0 HA THR B 25 -7.567 -4.726 -17.256 1.00 20.13 H new ATOM 0 HB THR B 25 -9.468 -6.593 -15.799 1.00 11.51 H new ATOM 0 HG1 THR B 25 -10.580 -6.100 -17.910 1.00 23.13 H new ATOM 0 HG21 THR B 25 -11.129 -4.779 -16.015 1.00 2.32 H new ATOM 0 HG22 THR B 25 -9.756 -4.243 -15.018 1.00 2.32 H new ATOM 0 HG23 THR B 25 -9.888 -3.710 -16.711 1.00 2.32 H new ATOM 856 N LEU B 26 -7.131 -3.599 -15.144 1.00 64.44 N ATOM 857 CA LEU B 26 -6.630 -2.921 -13.961 1.00 31.22 C ATOM 858 C LEU B 26 -7.808 -2.540 -13.061 1.00 43.22 C ATOM 859 O LEU B 26 -8.298 -1.413 -13.119 1.00 72.13 O ATOM 860 CB LEU B 26 -5.748 -1.735 -14.355 1.00 71.04 C ATOM 861 CG LEU B 26 -4.316 -2.074 -14.773 1.00 41.11 C ATOM 862 CD1 LEU B 26 -3.512 -0.804 -15.056 1.00 43.43 C ATOM 863 CD2 LEU B 26 -3.636 -2.962 -13.730 1.00 73.40 C ATOM 0 H LEU B 26 -7.403 -2.980 -15.908 1.00 64.44 H new ATOM 0 HA LEU B 26 -5.988 -3.586 -13.383 1.00 31.22 H new ATOM 0 HB2 LEU B 26 -6.230 -1.207 -15.178 1.00 71.04 H new ATOM 0 HB3 LEU B 26 -5.706 -1.044 -13.513 1.00 71.04 H new ATOM 0 HG LEU B 26 -4.357 -2.642 -15.702 1.00 41.11 H new ATOM 0 HD11 LEU B 26 -2.498 -1.074 -15.351 1.00 43.43 H new ATOM 0 HD12 LEU B 26 -3.988 -0.244 -15.861 1.00 43.43 H new ATOM 0 HD13 LEU B 26 -3.477 -0.188 -14.158 1.00 43.43 H new ATOM 0 HD21 LEU B 26 -2.619 -3.188 -14.052 1.00 73.40 H new ATOM 0 HD22 LEU B 26 -3.606 -2.442 -12.773 1.00 73.40 H new ATOM 0 HD23 LEU B 26 -4.197 -3.890 -13.621 1.00 73.40 H new ATOM 875 N VAL B 27 -8.227 -3.501 -12.251 1.00 1.31 N ATOM 876 CA VAL B 27 -9.338 -3.280 -11.341 1.00 2.42 C ATOM 877 C VAL B 27 -8.826 -2.584 -10.078 1.00 62.01 C ATOM 878 O VAL B 27 -7.629 -2.605 -9.794 1.00 74.55 O ATOM 879 CB VAL B 27 -10.046 -4.604 -11.048 1.00 14.14 C ATOM 880 CG1 VAL B 27 -10.843 -4.523 -9.744 1.00 0.52 C ATOM 881 CG2 VAL B 27 -10.946 -5.014 -12.216 1.00 22.42 C ATOM 0 H VAL B 27 -7.817 -4.434 -12.206 1.00 1.31 H new ATOM 0 HA VAL B 27 -10.080 -2.624 -11.796 1.00 2.42 H new ATOM 0 HB VAL B 27 -9.283 -5.373 -10.927 1.00 14.14 H new ATOM 0 HG11 VAL B 27 -11.336 -5.477 -9.559 1.00 0.52 H new ATOM 0 HG12 VAL B 27 -10.168 -4.298 -8.918 1.00 0.52 H new ATOM 0 HG13 VAL B 27 -11.593 -3.736 -9.824 1.00 0.52 H new ATOM 0 HG21 VAL B 27 -11.438 -5.958 -11.982 1.00 22.42 H new ATOM 0 HG22 VAL B 27 -11.699 -4.244 -12.382 1.00 22.42 H new ATOM 0 HG23 VAL B 27 -10.343 -5.132 -13.116 1.00 22.42 H new ATOM 891 N CYS B 28 -9.758 -1.981 -9.353 1.00 63.43 N ATOM 892 CA CYS B 28 -9.416 -1.280 -8.128 1.00 61.20 C ATOM 893 C CYS B 28 -10.706 -0.743 -7.505 1.00 44.13 C ATOM 894 O CYS B 28 -11.512 -0.112 -8.188 1.00 21.31 O ATOM 895 CB CYS B 28 -8.396 -0.167 -8.378 1.00 12.11 C ATOM 896 SG CYS B 28 -9.071 1.320 -9.204 1.00 11.30 S ATOM 0 H CYS B 28 -10.750 -1.964 -9.591 1.00 63.43 H new ATOM 0 HA CYS B 28 -8.938 -1.970 -7.433 1.00 61.20 H new ATOM 0 HB2 CYS B 28 -7.962 0.130 -7.423 1.00 12.11 H new ATOM 0 HB3 CYS B 28 -7.585 -0.567 -8.986 1.00 12.11 H new ATOM 901 N CYS B 29 -10.861 -1.013 -6.217 1.00 43.34 N ATOM 902 CA CYS B 29 -12.039 -0.564 -5.496 1.00 52.31 C ATOM 903 C CYS B 29 -13.273 -0.890 -6.340 1.00 63.00 C ATOM 904 O CYS B 29 -13.974 0.012 -6.797 1.00 21.31 O ATOM 905 CB CYS B 29 -11.961 0.926 -5.153 1.00 64.23 C ATOM 906 SG CYS B 29 -12.157 2.054 -6.581 1.00 74.32 S ATOM 0 H CYS B 29 -10.190 -1.537 -5.655 1.00 43.34 H new ATOM 0 HA CYS B 29 -12.103 -1.086 -4.542 1.00 52.31 H new ATOM 0 HB2 CYS B 29 -12.732 1.156 -4.418 1.00 64.23 H new ATOM 0 HB3 CYS B 29 -11.000 1.126 -4.680 1.00 64.23 H new ATOM 911 N GLY B 30 -13.501 -2.182 -6.522 1.00 74.02 N ATOM 912 CA GLY B 30 -14.637 -2.639 -7.303 1.00 55.21 C ATOM 913 C GLY B 30 -14.891 -1.714 -8.496 1.00 25.34 C ATOM 914 O GLY B 30 -16.039 -1.446 -8.845 1.00 70.13 O ATOM 0 H GLY B 30 -12.918 -2.927 -6.142 1.00 74.02 H new ATOM 0 HA2 GLY B 30 -14.455 -3.654 -7.657 1.00 55.21 H new ATOM 0 HA3 GLY B 30 -15.525 -2.677 -6.672 1.00 55.21 H new ATOM 918 N GLU B 31 -13.799 -1.253 -9.087 1.00 63.12 N ATOM 919 CA GLU B 31 -13.887 -0.365 -10.234 1.00 52.40 C ATOM 920 C GLU B 31 -12.688 -0.573 -11.162 1.00 14.33 C ATOM 921 O GLU B 31 -11.578 -0.826 -10.698 1.00 63.10 O ATOM 922 CB GLU B 31 -13.988 1.095 -9.789 1.00 55.31 C ATOM 923 CG GLU B 31 -13.676 2.045 -10.947 1.00 55.51 C ATOM 924 CD GLU B 31 -14.041 3.487 -10.588 1.00 40.32 C ATOM 925 OE1 GLU B 31 -14.259 3.796 -9.407 1.00 71.42 O ATOM 926 OE2 GLU B 31 -14.093 4.301 -11.587 1.00 3.43 O ATOM 0 H GLU B 31 -12.848 -1.478 -8.793 1.00 63.12 H new ATOM 0 HA GLU B 31 -14.795 -0.607 -10.787 1.00 52.40 H new ATOM 0 HB2 GLU B 31 -14.990 1.295 -9.410 1.00 55.31 H new ATOM 0 HB3 GLU B 31 -13.295 1.277 -8.968 1.00 55.31 H new ATOM 0 HG2 GLU B 31 -12.616 1.986 -11.195 1.00 55.51 H new ATOM 0 HG3 GLU B 31 -14.229 1.736 -11.834 1.00 55.51 H new ATOM 933 N ASP B 32 -12.955 -0.460 -12.455 1.00 3.23 N ATOM 934 CA ASP B 32 -11.912 -0.633 -13.451 1.00 2.12 C ATOM 935 C ASP B 32 -11.168 0.691 -13.640 1.00 14.31 C ATOM 936 O ASP B 32 -11.633 1.570 -14.364 1.00 35.43 O ATOM 937 CB ASP B 32 -12.503 -1.041 -14.802 1.00 51.41 C ATOM 938 CG ASP B 32 -11.644 -2.009 -15.618 1.00 53.13 C ATOM 939 OD1 ASP B 32 -10.387 -1.723 -15.657 1.00 34.14 O ATOM 940 OD2 ASP B 32 -12.151 -2.986 -16.188 1.00 34.22 O ATOM 0 H ASP B 32 -13.878 -0.251 -12.835 1.00 3.23 H new ATOM 0 HA ASP B 32 -11.238 -1.415 -13.101 1.00 2.12 H new ATOM 0 HB2 ASP B 32 -13.478 -1.499 -14.632 1.00 51.41 H new ATOM 0 HB3 ASP B 32 -12.672 -0.142 -15.394 1.00 51.41 H new ATOM 945 N MET B 33 -10.026 0.792 -12.977 1.00 62.31 N ATOM 946 CA MET B 33 -9.214 1.993 -13.063 1.00 35.02 C ATOM 947 C MET B 33 -9.237 2.571 -14.480 1.00 34.42 C ATOM 948 O MET B 33 -9.003 1.853 -15.450 1.00 63.34 O ATOM 949 CB MET B 33 -7.772 1.665 -12.669 1.00 31.53 C ATOM 950 CG MET B 33 -7.197 2.740 -11.746 1.00 12.43 C ATOM 951 SD MET B 33 -5.464 2.981 -12.095 1.00 3.54 S ATOM 952 CE MET B 33 -4.872 1.309 -11.897 1.00 75.11 C ATOM 0 H MET B 33 -9.644 0.061 -12.377 1.00 62.31 H new ATOM 0 HA MET B 33 -9.626 2.736 -12.381 1.00 35.02 H new ATOM 0 HB2 MET B 33 -7.739 0.697 -12.170 1.00 31.53 H new ATOM 0 HB3 MET B 33 -7.156 1.583 -13.565 1.00 31.53 H new ATOM 0 HG2 MET B 33 -7.738 3.676 -11.884 1.00 12.43 H new ATOM 0 HG3 MET B 33 -7.329 2.446 -10.705 1.00 12.43 H new ATOM 0 HE1 MET B 33 -4.174 1.073 -12.700 1.00 75.11 H new ATOM 0 HE2 MET B 33 -4.366 1.214 -10.936 1.00 75.11 H new ATOM 0 HE3 MET B 33 -5.714 0.618 -11.934 1.00 75.11 H new ATOM 962 N VAL B 34 -9.523 3.863 -14.553 1.00 32.44 N ATOM 963 CA VAL B 34 -9.581 4.545 -15.835 1.00 25.54 C ATOM 964 C VAL B 34 -8.161 4.897 -16.284 1.00 31.01 C ATOM 965 O VAL B 34 -7.241 4.943 -15.469 1.00 14.13 O ATOM 966 CB VAL B 34 -10.497 5.766 -15.737 1.00 40.32 C ATOM 967 CG1 VAL B 34 -10.920 6.247 -17.127 1.00 22.43 C ATOM 968 CG2 VAL B 34 -11.719 5.467 -14.865 1.00 25.32 C ATOM 0 H VAL B 34 -9.717 4.455 -13.745 1.00 32.44 H new ATOM 0 HA VAL B 34 -10.011 3.894 -16.596 1.00 25.54 H new ATOM 0 HB VAL B 34 -9.934 6.569 -15.261 1.00 40.32 H new ATOM 0 HG11 VAL B 34 -11.571 7.116 -17.029 1.00 22.43 H new ATOM 0 HG12 VAL B 34 -10.035 6.519 -17.703 1.00 22.43 H new ATOM 0 HG13 VAL B 34 -11.456 5.449 -17.641 1.00 22.43 H new ATOM 0 HG21 VAL B 34 -12.353 6.352 -14.812 1.00 25.32 H new ATOM 0 HG22 VAL B 34 -12.283 4.642 -15.300 1.00 25.32 H new ATOM 0 HG23 VAL B 34 -11.392 5.194 -13.862 1.00 25.32 H new ATOM 978 N LYS B 35 -8.028 5.135 -17.580 1.00 41.34 N ATOM 979 CA LYS B 35 -6.735 5.482 -18.148 1.00 72.15 C ATOM 980 C LYS B 35 -6.713 6.975 -18.481 1.00 42.51 C ATOM 981 O LYS B 35 -7.753 7.566 -18.771 1.00 13.23 O ATOM 982 CB LYS B 35 -6.417 4.581 -19.343 1.00 5.33 C ATOM 983 CG LYS B 35 -6.964 5.177 -20.641 1.00 10.13 C ATOM 984 CD LYS B 35 -5.915 6.054 -21.327 1.00 23.43 C ATOM 985 CE LYS B 35 -4.782 5.203 -21.906 1.00 50.11 C ATOM 986 NZ LYS B 35 -3.478 5.632 -21.355 1.00 4.32 N ATOM 0 H LYS B 35 -8.793 5.095 -18.253 1.00 41.34 H new ATOM 0 HA LYS B 35 -5.940 5.305 -17.423 1.00 72.15 H new ATOM 0 HB2 LYS B 35 -5.338 4.449 -19.426 1.00 5.33 H new ATOM 0 HB3 LYS B 35 -6.848 3.593 -19.183 1.00 5.33 H new ATOM 0 HG2 LYS B 35 -7.269 4.375 -21.313 1.00 10.13 H new ATOM 0 HG3 LYS B 35 -7.854 5.769 -20.427 1.00 10.13 H new ATOM 0 HD2 LYS B 35 -6.384 6.632 -22.123 1.00 23.43 H new ATOM 0 HD3 LYS B 35 -5.509 6.768 -20.611 1.00 23.43 H new ATOM 0 HE2 LYS B 35 -4.954 4.152 -21.674 1.00 50.11 H new ATOM 0 HE3 LYS B 35 -4.771 5.292 -22.992 1.00 50.11 H new ATOM 0 HZ1 LYS B 35 -2.728 5.440 -22.049 1.00 4.32 H new ATOM 0 HZ2 LYS B 35 -3.506 6.651 -21.149 1.00 4.32 H new ATOM 0 HZ3 LYS B 35 -3.282 5.107 -20.479 1.00 4.32 H new ATOM 999 N GLN B 36 -5.518 7.543 -18.429 1.00 23.34 N ATOM 1000 CA GLN B 36 -5.346 8.956 -18.721 1.00 33.11 C ATOM 1001 C GLN B 36 -4.968 9.152 -20.190 1.00 74.01 C ATOM 1002 O GLN B 36 -3.823 9.471 -20.503 1.00 50.21 O ATOM 1003 CB GLN B 36 -4.300 9.584 -17.797 1.00 55.21 C ATOM 1004 CG GLN B 36 -4.348 8.952 -16.405 1.00 22.31 C ATOM 1005 CD GLN B 36 -5.452 9.583 -15.554 1.00 21.20 C ATOM 1006 OE1 GLN B 36 -5.294 10.643 -14.972 1.00 23.12 O ATOM 1007 NE2 GLN B 36 -6.576 8.873 -15.515 1.00 32.41 N ATOM 0 H GLN B 36 -4.658 7.050 -18.189 1.00 23.34 H new ATOM 0 HA GLN B 36 -6.294 9.462 -18.539 1.00 33.11 H new ATOM 0 HB2 GLN B 36 -3.306 9.454 -18.225 1.00 55.21 H new ATOM 0 HB3 GLN B 36 -4.476 10.657 -17.719 1.00 55.21 H new ATOM 0 HG2 GLN B 36 -4.521 7.880 -16.494 1.00 22.31 H new ATOM 0 HG3 GLN B 36 -3.385 9.079 -15.910 1.00 22.31 H new ATOM 0 HE21 GLN B 36 -6.641 7.993 -16.026 1.00 32.41 H new ATOM 0 HE22 GLN B 36 -7.373 9.209 -14.974 1.00 32.41 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.770 -9.771 -15.175 1.00 1.31 ZN HETATM 1018 ZN ZN B 37 -10.576 2.593 -7.887 1.00 20.21 ZN