USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=11 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 Single : A 1 ALA N :NH3+ 135:sc= -1.67! (180deg=-1.87!) USER MOD Single : A 2 ASN : amide:sc= -5.94! C(o=-5.9!,f=-12!) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0969 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -6.89! C(o=-6.9!,f=-7.9!) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -8.91! (180deg=-11.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -125:sc= -5.84! (180deg=-11.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.54 K(o=-2.5,f=-0.85) USER MOD Single : B 1 ALA N :NH3+ 140:sc= 0.127 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 176:sc= 0.352 (180deg=0.35) USER MOD Single : B 14 GLN : amide:sc= -6.86! C(o=-6.9!,f=-6.9!) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -172:sc= -1.26 (180deg=-1.5) USER MOD Single : B 35 LYS NZ :NH3+ -125:sc= 0.0605 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.126 1.736 -1.486 1.00 14.04 N ATOM 2 CA ALA A 1 1.245 0.826 -1.654 1.00 31.23 C ATOM 3 C ALA A 1 2.547 1.628 -1.703 1.00 54.20 C ATOM 4 O ALA A 1 3.375 1.421 -2.588 1.00 65.45 O ATOM 5 CB ALA A 1 1.033 -0.019 -2.912 1.00 51.21 C ATOM 0 H1 ALA A 1 -0.639 1.470 -2.139 1.00 14.04 H new ATOM 0 H2 ALA A 1 -0.221 1.683 -0.507 1.00 14.04 H new ATOM 0 H3 ALA A 1 0.435 2.708 -1.692 1.00 14.04 H new ATOM 0 HA ALA A 1 1.312 0.141 -0.809 1.00 31.23 H new ATOM 0 HB1 ALA A 1 1.873 -0.702 -3.038 1.00 51.21 H new ATOM 0 HB2 ALA A 1 0.111 -0.592 -2.814 1.00 51.21 H new ATOM 0 HB3 ALA A 1 0.963 0.634 -3.782 1.00 51.21 H new ATOM 11 N ASN A 2 2.687 2.529 -0.741 1.00 31.51 N ATOM 12 CA ASN A 2 3.874 3.363 -0.664 1.00 13.01 C ATOM 13 C ASN A 2 4.285 3.789 -2.075 1.00 11.14 C ATOM 14 O ASN A 2 5.068 3.105 -2.730 1.00 63.22 O ATOM 15 CB ASN A 2 5.043 2.600 -0.041 1.00 2.14 C ATOM 16 CG ASN A 2 4.830 1.089 -0.145 1.00 25.41 C ATOM 17 OD1 ASN A 2 5.247 0.441 -1.091 1.00 44.02 O ATOM 18 ND2 ASN A 2 4.160 0.565 0.878 1.00 4.01 N ATOM 0 H ASN A 2 1.998 2.699 -0.009 1.00 31.51 H new ATOM 0 HA ASN A 2 3.638 4.229 -0.046 1.00 13.01 H new ATOM 0 HB2 ASN A 2 5.970 2.875 -0.543 1.00 2.14 H new ATOM 0 HB3 ASN A 2 5.151 2.884 1.006 1.00 2.14 H new ATOM 0 HD21 ASN A 2 3.967 -0.436 0.902 1.00 4.01 H new ATOM 0 HD22 ASN A 2 3.839 1.165 1.638 1.00 4.01 H new ATOM 25 N GLU A 3 3.736 4.918 -2.501 1.00 3.31 N ATOM 26 CA GLU A 3 4.037 5.444 -3.821 1.00 72.32 C ATOM 27 C GLU A 3 5.514 5.229 -4.155 1.00 4.21 C ATOM 28 O GLU A 3 6.365 5.261 -3.268 1.00 63.10 O ATOM 29 CB GLU A 3 3.661 6.923 -3.921 1.00 73.20 C ATOM 30 CG GLU A 3 4.232 7.549 -5.195 1.00 52.13 C ATOM 31 CD GLU A 3 4.060 9.070 -5.184 1.00 34.35 C ATOM 32 OE1 GLU A 3 3.962 9.675 -4.106 1.00 65.20 O ATOM 33 OE2 GLU A 3 4.028 9.623 -6.349 1.00 1.44 O ATOM 0 H GLU A 3 3.085 5.482 -1.955 1.00 3.31 H new ATOM 0 HA GLU A 3 3.438 4.901 -4.552 1.00 72.32 H new ATOM 0 HB2 GLU A 3 2.576 7.027 -3.915 1.00 73.20 H new ATOM 0 HB3 GLU A 3 4.037 7.457 -3.049 1.00 73.20 H new ATOM 0 HG2 GLU A 3 5.289 7.300 -5.284 1.00 52.13 H new ATOM 0 HG3 GLU A 3 3.731 7.129 -6.067 1.00 52.13 H new ATOM 40 N GLY A 4 5.774 5.015 -5.437 1.00 55.44 N ATOM 41 CA GLY A 4 7.133 4.796 -5.899 1.00 3.24 C ATOM 42 C GLY A 4 7.461 3.303 -5.951 1.00 71.21 C ATOM 43 O GLY A 4 8.561 2.918 -6.344 1.00 22.44 O ATOM 0 H GLY A 4 5.065 4.989 -6.170 1.00 55.44 H new ATOM 0 HA2 GLY A 4 7.259 5.234 -6.889 1.00 3.24 H new ATOM 0 HA3 GLY A 4 7.833 5.303 -5.234 1.00 3.24 H new ATOM 47 N ASP A 5 6.485 2.501 -5.550 1.00 23.02 N ATOM 48 CA ASP A 5 6.655 1.058 -5.546 1.00 33.24 C ATOM 49 C ASP A 5 6.065 0.476 -6.832 1.00 55.55 C ATOM 50 O ASP A 5 5.172 1.070 -7.435 1.00 11.53 O ATOM 51 CB ASP A 5 5.926 0.420 -4.361 1.00 0.42 C ATOM 52 CG ASP A 5 6.803 0.135 -3.141 1.00 25.44 C ATOM 53 OD1 ASP A 5 7.687 1.038 -2.881 1.00 23.00 O ATOM 54 OD2 ASP A 5 6.651 -0.899 -2.472 1.00 53.33 O ATOM 0 H ASP A 5 5.573 2.824 -5.225 1.00 23.02 H new ATOM 0 HA ASP A 5 7.721 0.845 -5.471 1.00 33.24 H new ATOM 0 HB2 ASP A 5 5.111 1.077 -4.058 1.00 0.42 H new ATOM 0 HB3 ASP A 5 5.475 -0.515 -4.692 1.00 0.42 H new ATOM 59 N VAL A 6 6.589 -0.679 -7.216 1.00 11.03 N ATOM 60 CA VAL A 6 6.125 -1.348 -8.419 1.00 0.41 C ATOM 61 C VAL A 6 5.481 -2.683 -8.041 1.00 15.44 C ATOM 62 O VAL A 6 5.950 -3.367 -7.132 1.00 53.21 O ATOM 63 CB VAL A 6 7.280 -1.502 -9.411 1.00 4.52 C ATOM 64 CG1 VAL A 6 6.943 -2.532 -10.490 1.00 43.55 C ATOM 65 CG2 VAL A 6 7.651 -0.155 -10.034 1.00 21.20 C ATOM 0 H VAL A 6 7.331 -1.168 -6.715 1.00 11.03 H new ATOM 0 HA VAL A 6 5.363 -0.749 -8.917 1.00 0.41 H new ATOM 0 HB VAL A 6 8.148 -1.866 -8.861 1.00 4.52 H new ATOM 0 HG11 VAL A 6 7.781 -2.622 -11.182 1.00 43.55 H new ATOM 0 HG12 VAL A 6 6.752 -3.499 -10.024 1.00 43.55 H new ATOM 0 HG13 VAL A 6 6.055 -2.211 -11.035 1.00 43.55 H new ATOM 0 HG21 VAL A 6 8.474 -0.293 -10.735 1.00 21.20 H new ATOM 0 HG22 VAL A 6 6.789 0.251 -10.562 1.00 21.20 H new ATOM 0 HG23 VAL A 6 7.955 0.538 -9.249 1.00 21.20 H new ATOM 75 N TYR A 7 4.416 -3.013 -8.755 1.00 35.22 N ATOM 76 CA TYR A 7 3.702 -4.255 -8.505 1.00 52.23 C ATOM 77 C TYR A 7 3.624 -5.108 -9.772 1.00 43.15 C ATOM 78 O TYR A 7 3.433 -4.582 -10.868 1.00 10.12 O ATOM 79 CB TYR A 7 2.286 -3.850 -8.089 1.00 70.53 C ATOM 80 CG TYR A 7 2.115 -3.646 -6.583 1.00 35.25 C ATOM 81 CD1 TYR A 7 2.903 -2.731 -5.916 1.00 45.41 C ATOM 82 CD2 TYR A 7 1.170 -4.376 -5.891 1.00 23.32 C ATOM 83 CE1 TYR A 7 2.741 -2.539 -4.498 1.00 5.42 C ATOM 84 CE2 TYR A 7 1.008 -4.184 -4.473 1.00 22.25 C ATOM 85 CZ TYR A 7 1.803 -3.275 -3.846 1.00 53.44 C ATOM 86 OH TYR A 7 1.649 -3.093 -2.508 1.00 4.43 O ATOM 0 H TYR A 7 4.029 -2.443 -9.507 1.00 35.22 H new ATOM 0 HA TYR A 7 4.211 -4.843 -7.741 1.00 52.23 H new ATOM 0 HB2 TYR A 7 2.017 -2.927 -8.603 1.00 70.53 H new ATOM 0 HB3 TYR A 7 1.587 -4.617 -8.423 1.00 70.53 H new ATOM 0 HD1 TYR A 7 3.642 -2.159 -6.457 1.00 45.41 H new ATOM 0 HD2 TYR A 7 0.552 -5.091 -6.413 1.00 23.32 H new ATOM 0 HE1 TYR A 7 3.352 -1.826 -3.964 1.00 5.42 H new ATOM 0 HE2 TYR A 7 0.272 -4.749 -3.920 1.00 22.25 H new ATOM 0 HH TYR A 7 0.942 -3.685 -2.177 1.00 4.43 H new ATOM 96 N LYS A 8 3.778 -6.410 -9.581 1.00 32.30 N ATOM 97 CA LYS A 8 3.727 -7.341 -10.696 1.00 20.11 C ATOM 98 C LYS A 8 2.595 -8.345 -10.466 1.00 1.45 C ATOM 99 O LYS A 8 2.521 -8.969 -9.408 1.00 41.11 O ATOM 100 CB LYS A 8 5.095 -7.994 -10.910 1.00 75.42 C ATOM 101 CG LYS A 8 5.199 -8.599 -12.312 1.00 3.33 C ATOM 102 CD LYS A 8 6.635 -9.029 -12.617 1.00 63.20 C ATOM 103 CE LYS A 8 6.696 -10.513 -12.989 1.00 14.25 C ATOM 104 NZ LYS A 8 7.756 -10.753 -13.992 1.00 44.11 N ATOM 0 H LYS A 8 3.938 -6.842 -8.671 1.00 32.30 H new ATOM 0 HA LYS A 8 3.502 -6.814 -11.623 1.00 20.11 H new ATOM 0 HB2 LYS A 8 5.882 -7.253 -10.770 1.00 75.42 H new ATOM 0 HB3 LYS A 8 5.252 -8.771 -10.162 1.00 75.42 H new ATOM 0 HG2 LYS A 8 4.533 -9.458 -12.392 1.00 3.33 H new ATOM 0 HG3 LYS A 8 4.869 -7.870 -13.052 1.00 3.33 H new ATOM 0 HD2 LYS A 8 7.032 -8.429 -13.435 1.00 63.20 H new ATOM 0 HD3 LYS A 8 7.267 -8.842 -11.749 1.00 63.20 H new ATOM 0 HE2 LYS A 8 6.889 -11.110 -12.097 1.00 14.25 H new ATOM 0 HE3 LYS A 8 5.733 -10.834 -13.385 1.00 14.25 H new ATOM 0 HZ1 LYS A 8 7.783 -11.764 -14.233 1.00 44.11 H new ATOM 0 HZ2 LYS A 8 7.555 -10.198 -14.849 1.00 44.11 H new ATOM 0 HZ3 LYS A 8 8.676 -10.465 -13.601 1.00 44.11 H new ATOM 117 N CYS A 9 1.744 -8.468 -11.473 1.00 12.23 N ATOM 118 CA CYS A 9 0.620 -9.386 -11.393 1.00 54.42 C ATOM 119 C CYS A 9 1.151 -10.765 -10.999 1.00 4.44 C ATOM 120 O CYS A 9 0.522 -11.476 -10.217 1.00 5.14 O ATOM 121 CB CYS A 9 -0.167 -9.431 -12.705 1.00 13.11 C ATOM 122 SG CYS A 9 -1.696 -10.438 -12.649 1.00 13.14 S ATOM 0 H CYS A 9 1.809 -7.948 -12.348 1.00 12.23 H new ATOM 0 HA CYS A 9 -0.082 -9.039 -10.635 1.00 54.42 H new ATOM 0 HB2 CYS A 9 -0.430 -8.412 -12.990 1.00 13.11 H new ATOM 0 HB3 CYS A 9 0.482 -9.824 -13.488 1.00 13.11 H new ATOM 127 N GLU A 10 2.305 -11.100 -11.557 1.00 21.24 N ATOM 128 CA GLU A 10 2.929 -12.382 -11.274 1.00 10.42 C ATOM 129 C GLU A 10 2.147 -13.513 -11.944 1.00 41.23 C ATOM 130 O GLU A 10 2.477 -14.686 -11.775 1.00 2.14 O ATOM 131 CB GLU A 10 3.043 -12.614 -9.765 1.00 44.12 C ATOM 132 CG GLU A 10 4.023 -11.624 -9.131 1.00 32.43 C ATOM 133 CD GLU A 10 5.416 -12.241 -8.995 1.00 74.31 C ATOM 134 OE1 GLU A 10 5.556 -13.472 -9.045 1.00 74.43 O ATOM 135 OE2 GLU A 10 6.374 -11.394 -8.834 1.00 70.10 O ATOM 0 H GLU A 10 2.824 -10.506 -12.204 1.00 21.24 H new ATOM 0 HA GLU A 10 3.938 -12.371 -11.685 1.00 10.42 H new ATOM 0 HB2 GLU A 10 2.062 -12.507 -9.302 1.00 44.12 H new ATOM 0 HB3 GLU A 10 3.376 -13.634 -9.574 1.00 44.12 H new ATOM 0 HG2 GLU A 10 4.079 -10.722 -9.740 1.00 32.43 H new ATOM 0 HG3 GLU A 10 3.657 -11.323 -8.149 1.00 32.43 H new ATOM 142 N LEU A 11 1.127 -13.121 -12.694 1.00 11.14 N ATOM 143 CA LEU A 11 0.296 -14.087 -13.390 1.00 71.33 C ATOM 144 C LEU A 11 0.391 -13.841 -14.898 1.00 73.32 C ATOM 145 O LEU A 11 1.107 -14.551 -15.602 1.00 42.33 O ATOM 146 CB LEU A 11 -1.135 -14.052 -12.851 1.00 13.30 C ATOM 147 CG LEU A 11 -2.221 -14.578 -13.792 1.00 33.41 C ATOM 148 CD1 LEU A 11 -2.052 -16.079 -14.039 1.00 44.13 C ATOM 149 CD2 LEU A 11 -3.616 -14.238 -13.266 1.00 33.24 C ATOM 0 H LEU A 11 0.858 -12.147 -12.834 1.00 11.14 H new ATOM 0 HA LEU A 11 0.655 -15.100 -13.207 1.00 71.33 H new ATOM 0 HB2 LEU A 11 -1.169 -14.633 -11.929 1.00 13.30 H new ATOM 0 HB3 LEU A 11 -1.378 -13.022 -12.588 1.00 13.30 H new ATOM 0 HG LEU A 11 -2.110 -14.078 -14.754 1.00 33.41 H new ATOM 0 HD11 LEU A 11 -2.836 -16.428 -14.711 1.00 44.13 H new ATOM 0 HD12 LEU A 11 -1.078 -16.266 -14.491 1.00 44.13 H new ATOM 0 HD13 LEU A 11 -2.121 -16.614 -13.092 1.00 44.13 H new ATOM 0 HD21 LEU A 11 -4.368 -14.624 -13.954 1.00 33.24 H new ATOM 0 HD22 LEU A 11 -3.755 -14.692 -12.285 1.00 33.24 H new ATOM 0 HD23 LEU A 11 -3.720 -13.156 -13.184 1.00 33.24 H new ATOM 161 N CYS A 12 -0.343 -12.834 -15.348 1.00 42.24 N ATOM 162 CA CYS A 12 -0.350 -12.486 -16.759 1.00 31.31 C ATOM 163 C CYS A 12 1.036 -11.956 -17.130 1.00 43.04 C ATOM 164 O CYS A 12 1.488 -12.128 -18.261 1.00 13.20 O ATOM 165 CB CYS A 12 -1.454 -11.478 -17.087 1.00 44.40 C ATOM 166 SG CYS A 12 -1.316 -9.877 -16.209 1.00 71.53 S ATOM 0 H CYS A 12 -0.937 -12.248 -14.761 1.00 42.24 H new ATOM 0 HA CYS A 12 -0.570 -13.372 -17.354 1.00 31.31 H new ATOM 0 HB2 CYS A 12 -1.448 -11.290 -18.161 1.00 44.40 H new ATOM 0 HB3 CYS A 12 -2.419 -11.926 -16.848 1.00 44.40 H new ATOM 171 N GLY A 13 1.673 -11.322 -16.156 1.00 73.22 N ATOM 172 CA GLY A 13 2.998 -10.766 -16.366 1.00 22.14 C ATOM 173 C GLY A 13 2.930 -9.253 -16.588 1.00 72.34 C ATOM 174 O GLY A 13 3.708 -8.701 -17.364 1.00 61.04 O ATOM 0 H GLY A 13 1.295 -11.181 -15.219 1.00 73.22 H new ATOM 0 HA2 GLY A 13 3.628 -10.982 -15.503 1.00 22.14 H new ATOM 0 HA3 GLY A 13 3.464 -11.243 -17.228 1.00 22.14 H new ATOM 178 N GLN A 14 1.991 -8.628 -15.894 1.00 70.44 N ATOM 179 CA GLN A 14 1.810 -7.191 -16.007 1.00 5.44 C ATOM 180 C GLN A 14 2.530 -6.474 -14.862 1.00 75.43 C ATOM 181 O GLN A 14 2.483 -6.922 -13.718 1.00 30.25 O ATOM 182 CB GLN A 14 0.325 -6.825 -16.034 1.00 14.11 C ATOM 183 CG GLN A 14 0.129 -5.316 -15.879 1.00 13.22 C ATOM 184 CD GLN A 14 -0.925 -4.796 -16.859 1.00 14.11 C ATOM 185 OE1 GLN A 14 -0.628 -4.115 -17.826 1.00 75.41 O ATOM 186 NE2 GLN A 14 -2.170 -5.154 -16.555 1.00 61.10 N ATOM 0 H GLN A 14 1.348 -9.090 -15.252 1.00 70.44 H new ATOM 0 HA GLN A 14 2.248 -6.863 -16.949 1.00 5.44 H new ATOM 0 HB2 GLN A 14 -0.118 -7.158 -16.972 1.00 14.11 H new ATOM 0 HB3 GLN A 14 -0.196 -7.347 -15.232 1.00 14.11 H new ATOM 0 HG2 GLN A 14 -0.175 -5.088 -14.857 1.00 13.22 H new ATOM 0 HG3 GLN A 14 1.075 -4.803 -16.051 1.00 13.22 H new ATOM 0 HE21 GLN A 14 -2.349 -5.726 -15.730 1.00 61.10 H new ATOM 0 HE22 GLN A 14 -2.945 -4.856 -17.147 1.00 61.10 H new ATOM 195 N VAL A 15 3.179 -5.372 -15.211 1.00 71.40 N ATOM 196 CA VAL A 15 3.907 -4.590 -14.228 1.00 22.04 C ATOM 197 C VAL A 15 3.392 -3.149 -14.245 1.00 34.41 C ATOM 198 O VAL A 15 3.225 -2.559 -15.311 1.00 3.23 O ATOM 199 CB VAL A 15 5.412 -4.690 -14.490 1.00 11.14 C ATOM 200 CG1 VAL A 15 6.195 -3.782 -13.539 1.00 1.01 C ATOM 201 CG2 VAL A 15 5.891 -6.138 -14.384 1.00 4.11 C ATOM 0 H VAL A 15 3.215 -5.003 -16.161 1.00 71.40 H new ATOM 0 HA VAL A 15 3.738 -4.984 -13.226 1.00 22.04 H new ATOM 0 HB VAL A 15 5.599 -4.349 -15.508 1.00 11.14 H new ATOM 0 HG11 VAL A 15 7.261 -3.872 -13.746 1.00 1.01 H new ATOM 0 HG12 VAL A 15 5.883 -2.748 -13.684 1.00 1.01 H new ATOM 0 HG13 VAL A 15 5.999 -4.079 -12.509 1.00 1.01 H new ATOM 0 HG21 VAL A 15 6.963 -6.181 -14.574 1.00 4.11 H new ATOM 0 HG22 VAL A 15 5.685 -6.517 -13.383 1.00 4.11 H new ATOM 0 HG23 VAL A 15 5.367 -6.749 -15.119 1.00 4.11 H new ATOM 211 N VAL A 16 3.153 -2.626 -13.051 1.00 30.23 N ATOM 212 CA VAL A 16 2.660 -1.266 -12.916 1.00 30.21 C ATOM 213 C VAL A 16 3.343 -0.597 -11.720 1.00 72.24 C ATOM 214 O VAL A 16 3.925 -1.275 -10.875 1.00 43.02 O ATOM 215 CB VAL A 16 1.134 -1.272 -12.806 1.00 1.02 C ATOM 216 CG1 VAL A 16 0.491 -1.679 -14.132 1.00 73.43 C ATOM 217 CG2 VAL A 16 0.669 -2.183 -11.668 1.00 30.11 C ATOM 0 H VAL A 16 3.292 -3.119 -12.169 1.00 30.23 H new ATOM 0 HA VAL A 16 2.907 -0.680 -13.801 1.00 30.21 H new ATOM 0 HB VAL A 16 0.811 -0.257 -12.575 1.00 1.02 H new ATOM 0 HG11 VAL A 16 -0.594 -1.675 -14.027 1.00 73.43 H new ATOM 0 HG12 VAL A 16 0.782 -0.973 -14.910 1.00 73.43 H new ATOM 0 HG13 VAL A 16 0.825 -2.679 -14.407 1.00 73.43 H new ATOM 0 HG21 VAL A 16 -0.419 -2.169 -11.612 1.00 30.11 H new ATOM 0 HG22 VAL A 16 1.009 -3.201 -11.855 1.00 30.11 H new ATOM 0 HG23 VAL A 16 1.085 -1.829 -10.725 1.00 30.11 H new ATOM 227 N LYS A 17 3.248 0.724 -11.689 1.00 50.03 N ATOM 228 CA LYS A 17 3.849 1.492 -10.613 1.00 24.53 C ATOM 229 C LYS A 17 2.748 2.189 -9.812 1.00 55.11 C ATOM 230 O LYS A 17 1.663 2.441 -10.333 1.00 55.32 O ATOM 231 CB LYS A 17 4.909 2.448 -11.164 1.00 4.52 C ATOM 232 CG LYS A 17 5.815 2.967 -10.044 1.00 72.12 C ATOM 233 CD LYS A 17 6.090 4.463 -10.211 1.00 20.23 C ATOM 234 CE LYS A 17 4.814 5.281 -10.002 1.00 65.14 C ATOM 235 NZ LYS A 17 4.280 5.747 -11.301 1.00 10.21 N ATOM 0 H LYS A 17 2.764 1.282 -12.392 1.00 50.03 H new ATOM 0 HA LYS A 17 4.376 0.833 -9.923 1.00 24.53 H new ATOM 0 HB2 LYS A 17 5.510 1.936 -11.915 1.00 4.52 H new ATOM 0 HB3 LYS A 17 4.423 3.287 -11.662 1.00 4.52 H new ATOM 0 HG2 LYS A 17 5.345 2.786 -9.077 1.00 72.12 H new ATOM 0 HG3 LYS A 17 6.756 2.418 -10.049 1.00 72.12 H new ATOM 0 HD2 LYS A 17 6.850 4.779 -9.496 1.00 20.23 H new ATOM 0 HD3 LYS A 17 6.490 4.654 -11.207 1.00 20.23 H new ATOM 0 HE2 LYS A 17 4.066 4.675 -9.491 1.00 65.14 H new ATOM 0 HE3 LYS A 17 5.024 6.137 -9.360 1.00 65.14 H new ATOM 0 HZ1 LYS A 17 4.280 6.787 -11.324 1.00 10.21 H new ATOM 0 HZ2 LYS A 17 4.876 5.384 -12.072 1.00 10.21 H new ATOM 0 HZ3 LYS A 17 3.308 5.399 -11.422 1.00 10.21 H new ATOM 248 N VAL A 18 3.065 2.481 -8.560 1.00 1.44 N ATOM 249 CA VAL A 18 2.115 3.145 -7.683 1.00 3.10 C ATOM 250 C VAL A 18 2.479 4.628 -7.572 1.00 21.41 C ATOM 251 O VAL A 18 3.224 5.023 -6.676 1.00 14.20 O ATOM 252 CB VAL A 18 2.073 2.438 -6.327 1.00 11.31 C ATOM 253 CG1 VAL A 18 1.178 3.193 -5.342 1.00 14.41 C ATOM 254 CG2 VAL A 18 1.616 0.986 -6.480 1.00 71.12 C ATOM 0 H VAL A 18 3.966 2.270 -8.131 1.00 1.44 H new ATOM 0 HA VAL A 18 1.108 3.087 -8.097 1.00 3.10 H new ATOM 0 HB VAL A 18 3.085 2.430 -5.922 1.00 11.31 H new ATOM 0 HG11 VAL A 18 1.166 2.669 -4.386 1.00 14.41 H new ATOM 0 HG12 VAL A 18 1.565 4.202 -5.198 1.00 14.41 H new ATOM 0 HG13 VAL A 18 0.164 3.247 -5.739 1.00 14.41 H new ATOM 0 HG21 VAL A 18 1.595 0.506 -5.502 1.00 71.12 H new ATOM 0 HG22 VAL A 18 0.618 0.963 -6.917 1.00 71.12 H new ATOM 0 HG23 VAL A 18 2.309 0.453 -7.131 1.00 71.12 H new ATOM 264 N LEU A 19 1.937 5.407 -8.496 1.00 43.03 N ATOM 265 CA LEU A 19 2.196 6.837 -8.515 1.00 13.34 C ATOM 266 C LEU A 19 1.463 7.498 -7.345 1.00 74.23 C ATOM 267 O LEU A 19 2.018 8.362 -6.669 1.00 52.12 O ATOM 268 CB LEU A 19 1.837 7.429 -9.879 1.00 12.32 C ATOM 269 CG LEU A 19 2.556 8.726 -10.257 1.00 23.40 C ATOM 270 CD1 LEU A 19 3.275 8.581 -11.600 1.00 62.52 C ATOM 271 CD2 LEU A 19 1.590 9.912 -10.249 1.00 75.32 C ATOM 0 H LEU A 19 1.320 5.075 -9.237 1.00 43.03 H new ATOM 0 HA LEU A 19 3.259 7.034 -8.379 1.00 13.34 H new ATOM 0 HB2 LEU A 19 2.050 6.683 -10.644 1.00 12.32 H new ATOM 0 HB3 LEU A 19 0.763 7.612 -9.902 1.00 12.32 H new ATOM 0 HG LEU A 19 3.317 8.927 -9.503 1.00 23.40 H new ATOM 0 HD11 LEU A 19 3.778 9.516 -11.846 1.00 62.52 H new ATOM 0 HD12 LEU A 19 4.011 7.779 -11.534 1.00 62.52 H new ATOM 0 HD13 LEU A 19 2.549 8.344 -12.378 1.00 62.52 H new ATOM 0 HD21 LEU A 19 2.127 10.821 -10.521 1.00 75.32 H new ATOM 0 HD22 LEU A 19 0.790 9.734 -10.968 1.00 75.32 H new ATOM 0 HD23 LEU A 19 1.164 10.027 -9.253 1.00 75.32 H new ATOM 283 N GLU A 20 0.227 7.066 -7.143 1.00 32.21 N ATOM 284 CA GLU A 20 -0.588 7.605 -6.067 1.00 60.15 C ATOM 285 C GLU A 20 -1.348 6.480 -5.362 1.00 74.04 C ATOM 286 O GLU A 20 -2.120 5.758 -5.992 1.00 32.41 O ATOM 287 CB GLU A 20 -1.551 8.673 -6.591 1.00 22.44 C ATOM 288 CG GLU A 20 -2.676 8.935 -5.588 1.00 21.05 C ATOM 289 CD GLU A 20 -2.131 9.567 -4.305 1.00 12.14 C ATOM 290 OE1 GLU A 20 -1.279 8.966 -3.632 1.00 54.23 O ATOM 291 OE2 GLU A 20 -2.624 10.723 -4.014 1.00 64.34 O ATOM 0 H GLU A 20 -0.230 6.349 -7.706 1.00 32.21 H new ATOM 0 HA GLU A 20 0.071 8.081 -5.342 1.00 60.15 H new ATOM 0 HB2 GLU A 20 -1.006 9.598 -6.781 1.00 22.44 H new ATOM 0 HB3 GLU A 20 -1.975 8.351 -7.542 1.00 22.44 H new ATOM 0 HG2 GLU A 20 -3.420 9.594 -6.035 1.00 21.05 H new ATOM 0 HG3 GLU A 20 -3.181 7.999 -5.350 1.00 21.05 H new ATOM 298 N GLU A 21 -1.103 6.365 -4.065 1.00 0.40 N ATOM 299 CA GLU A 21 -1.755 5.341 -3.268 1.00 74.40 C ATOM 300 C GLU A 21 -3.264 5.344 -3.528 1.00 43.04 C ATOM 301 O GLU A 21 -3.846 6.391 -3.805 1.00 0.51 O ATOM 302 CB GLU A 21 -1.455 5.530 -1.779 1.00 73.24 C ATOM 303 CG GLU A 21 -1.919 4.319 -0.968 1.00 35.13 C ATOM 304 CD GLU A 21 -2.273 4.721 0.465 1.00 4.11 C ATOM 305 OE1 GLU A 21 -1.856 5.794 0.928 1.00 71.42 O ATOM 306 OE2 GLU A 21 -3.010 3.876 1.103 1.00 22.21 O ATOM 0 H GLU A 21 -0.461 6.965 -3.546 1.00 0.40 H new ATOM 0 HA GLU A 21 -1.357 4.371 -3.565 1.00 74.40 H new ATOM 0 HB2 GLU A 21 -0.385 5.679 -1.636 1.00 73.24 H new ATOM 0 HB3 GLU A 21 -1.954 6.428 -1.415 1.00 73.24 H new ATOM 0 HG2 GLU A 21 -2.787 3.867 -1.448 1.00 35.13 H new ATOM 0 HG3 GLU A 21 -1.133 3.564 -0.954 1.00 35.13 H new ATOM 313 N GLY A 22 -3.852 4.161 -3.431 1.00 25.02 N ATOM 314 CA GLY A 22 -5.279 4.014 -3.653 1.00 10.44 C ATOM 315 C GLY A 22 -5.994 3.591 -2.368 1.00 23.34 C ATOM 316 O GLY A 22 -5.434 3.700 -1.277 1.00 42.44 O ATOM 0 H GLY A 22 -3.365 3.295 -3.201 1.00 25.02 H new ATOM 0 HA2 GLY A 22 -5.694 4.956 -4.011 1.00 10.44 H new ATOM 0 HA3 GLY A 22 -5.455 3.272 -4.432 1.00 10.44 H new ATOM 320 N GLY A 23 -7.218 3.115 -2.538 1.00 73.05 N ATOM 321 CA GLY A 23 -8.015 2.674 -1.405 1.00 43.33 C ATOM 322 C GLY A 23 -8.119 1.148 -1.369 1.00 2.54 C ATOM 323 O GLY A 23 -7.772 0.523 -0.369 1.00 11.04 O ATOM 0 H GLY A 23 -7.678 3.025 -3.444 1.00 73.05 H new ATOM 0 HA2 GLY A 23 -7.567 3.034 -0.479 1.00 43.33 H new ATOM 0 HA3 GLY A 23 -9.013 3.109 -1.466 1.00 43.33 H new ATOM 327 N GLY A 24 -8.597 0.593 -2.473 1.00 20.12 N ATOM 328 CA GLY A 24 -8.751 -0.848 -2.580 1.00 54.44 C ATOM 329 C GLY A 24 -7.428 -1.513 -2.965 1.00 12.33 C ATOM 330 O GLY A 24 -6.368 -0.897 -2.870 1.00 12.43 O ATOM 0 H GLY A 24 -8.883 1.115 -3.301 1.00 20.12 H new ATOM 0 HA2 GLY A 24 -9.102 -1.251 -1.630 1.00 54.44 H new ATOM 0 HA3 GLY A 24 -9.510 -1.082 -3.326 1.00 54.44 H new ATOM 334 N THR A 25 -7.533 -2.763 -3.390 1.00 72.44 N ATOM 335 CA THR A 25 -6.359 -3.520 -3.790 1.00 51.43 C ATOM 336 C THR A 25 -6.219 -3.523 -5.313 1.00 53.35 C ATOM 337 O THR A 25 -7.217 -3.485 -6.032 1.00 2.10 O ATOM 338 CB THR A 25 -6.471 -4.921 -3.187 1.00 71.33 C ATOM 339 OG1 THR A 25 -6.006 -4.762 -1.850 1.00 11.43 O ATOM 340 CG2 THR A 25 -5.482 -5.907 -3.810 1.00 65.23 C ATOM 0 H THR A 25 -8.414 -3.271 -3.466 1.00 72.44 H new ATOM 0 HA THR A 25 -5.445 -3.061 -3.413 1.00 51.43 H new ATOM 0 HB THR A 25 -7.487 -5.293 -3.320 1.00 71.33 H new ATOM 0 HG1 THR A 25 -6.046 -5.624 -1.385 1.00 11.43 H new ATOM 0 HG21 THR A 25 -5.603 -6.886 -3.346 1.00 65.23 H new ATOM 0 HG22 THR A 25 -5.673 -5.986 -4.880 1.00 65.23 H new ATOM 0 HG23 THR A 25 -4.464 -5.553 -3.648 1.00 65.23 H new ATOM 348 N LEU A 26 -4.973 -3.570 -5.761 1.00 53.23 N ATOM 349 CA LEU A 26 -4.690 -3.579 -7.186 1.00 74.45 C ATOM 350 C LEU A 26 -5.019 -4.959 -7.758 1.00 73.53 C ATOM 351 O LEU A 26 -4.297 -5.925 -7.515 1.00 50.42 O ATOM 352 CB LEU A 26 -3.252 -3.131 -7.450 1.00 65.12 C ATOM 353 CG LEU A 26 -2.940 -1.663 -7.153 1.00 34.41 C ATOM 354 CD1 LEU A 26 -1.554 -1.279 -7.674 1.00 1.01 C ATOM 355 CD2 LEU A 26 -4.035 -0.748 -7.707 1.00 3.24 C ATOM 0 H LEU A 26 -4.148 -3.602 -5.162 1.00 53.23 H new ATOM 0 HA LEU A 26 -5.323 -2.859 -7.704 1.00 74.45 H new ATOM 0 HB2 LEU A 26 -2.584 -3.752 -6.853 1.00 65.12 H new ATOM 0 HB3 LEU A 26 -3.018 -3.327 -8.496 1.00 65.12 H new ATOM 0 HG LEU A 26 -2.924 -1.529 -6.071 1.00 34.41 H new ATOM 0 HD11 LEU A 26 -1.358 -0.230 -7.449 1.00 1.01 H new ATOM 0 HD12 LEU A 26 -0.799 -1.900 -7.192 1.00 1.01 H new ATOM 0 HD13 LEU A 26 -1.515 -1.432 -8.752 1.00 1.01 H new ATOM 0 HD21 LEU A 26 -3.790 0.290 -7.483 1.00 3.24 H new ATOM 0 HD22 LEU A 26 -4.107 -0.879 -8.787 1.00 3.24 H new ATOM 0 HD23 LEU A 26 -4.990 -1.003 -7.246 1.00 3.24 H new ATOM 367 N VAL A 27 -6.111 -5.009 -8.508 1.00 42.02 N ATOM 368 CA VAL A 27 -6.544 -6.255 -9.117 1.00 23.02 C ATOM 369 C VAL A 27 -6.196 -6.239 -10.607 1.00 45.30 C ATOM 370 O VAL A 27 -6.266 -5.194 -11.253 1.00 14.21 O ATOM 371 CB VAL A 27 -8.036 -6.475 -8.854 1.00 24.41 C ATOM 372 CG1 VAL A 27 -8.573 -7.639 -9.689 1.00 71.04 C ATOM 373 CG2 VAL A 27 -8.302 -6.699 -7.364 1.00 24.41 C ATOM 0 H VAL A 27 -6.708 -4.207 -8.707 1.00 42.02 H new ATOM 0 HA VAL A 27 -6.020 -7.100 -8.670 1.00 23.02 H new ATOM 0 HB VAL A 27 -8.567 -5.573 -9.157 1.00 24.41 H new ATOM 0 HG11 VAL A 27 -9.635 -7.775 -9.484 1.00 71.04 H new ATOM 0 HG12 VAL A 27 -8.433 -7.422 -10.748 1.00 71.04 H new ATOM 0 HG13 VAL A 27 -8.034 -8.551 -9.431 1.00 71.04 H new ATOM 0 HG21 VAL A 27 -9.369 -6.853 -7.204 1.00 24.41 H new ATOM 0 HG22 VAL A 27 -7.754 -7.578 -7.025 1.00 24.41 H new ATOM 0 HG23 VAL A 27 -7.973 -5.826 -6.800 1.00 24.41 H new ATOM 383 N CYS A 28 -5.827 -7.407 -11.109 1.00 75.54 N ATOM 384 CA CYS A 28 -5.468 -7.541 -12.510 1.00 60.04 C ATOM 385 C CYS A 28 -5.894 -8.931 -12.986 1.00 45.34 C ATOM 386 O CYS A 28 -5.693 -9.920 -12.282 1.00 53.33 O ATOM 387 CB CYS A 28 -3.975 -7.292 -12.738 1.00 12.34 C ATOM 388 SG CYS A 28 -3.394 -7.615 -14.443 1.00 74.51 S ATOM 0 H CYS A 28 -5.769 -8.271 -10.570 1.00 75.54 H new ATOM 0 HA CYS A 28 -5.989 -6.783 -13.095 1.00 60.04 H new ATOM 0 HB2 CYS A 28 -3.751 -6.256 -12.483 1.00 12.34 H new ATOM 0 HB3 CYS A 28 -3.407 -7.919 -12.051 1.00 12.34 H new ATOM 393 N CYS A 29 -6.473 -8.963 -14.177 1.00 23.11 N ATOM 394 CA CYS A 29 -6.928 -10.215 -14.755 1.00 73.43 C ATOM 395 C CYS A 29 -7.449 -11.105 -13.624 1.00 65.41 C ATOM 396 O CYS A 29 -6.834 -12.118 -13.294 1.00 24.04 O ATOM 397 CB CYS A 29 -5.823 -10.903 -15.560 1.00 11.14 C ATOM 398 SG CYS A 29 -4.423 -11.529 -14.561 1.00 13.13 S ATOM 0 H CYS A 29 -6.637 -8.141 -14.758 1.00 23.11 H new ATOM 0 HA CYS A 29 -7.733 -10.019 -15.463 1.00 73.43 H new ATOM 0 HB2 CYS A 29 -6.259 -11.736 -16.111 1.00 11.14 H new ATOM 0 HB3 CYS A 29 -5.438 -10.199 -16.298 1.00 11.14 H new ATOM 403 N GLY A 30 -8.576 -10.695 -13.062 1.00 4.23 N ATOM 404 CA GLY A 30 -9.184 -11.442 -11.974 1.00 52.20 C ATOM 405 C GLY A 30 -8.120 -12.002 -11.029 1.00 65.45 C ATOM 406 O GLY A 30 -8.111 -13.197 -10.736 1.00 40.23 O ATOM 0 H GLY A 30 -9.084 -9.855 -13.339 1.00 4.23 H new ATOM 0 HA2 GLY A 30 -9.863 -10.795 -11.419 1.00 52.20 H new ATOM 0 HA3 GLY A 30 -9.782 -12.259 -12.379 1.00 52.20 H new ATOM 410 N GLU A 31 -7.247 -11.114 -10.579 1.00 0.52 N ATOM 411 CA GLU A 31 -6.180 -11.504 -9.673 1.00 50.22 C ATOM 412 C GLU A 31 -5.753 -10.314 -8.812 1.00 20.33 C ATOM 413 O GLU A 31 -6.088 -9.170 -9.116 1.00 30.42 O ATOM 414 CB GLU A 31 -4.990 -12.079 -10.444 1.00 11.53 C ATOM 415 CG GLU A 31 -3.818 -12.371 -9.505 1.00 13.03 C ATOM 416 CD GLU A 31 -2.720 -13.155 -10.225 1.00 53.04 C ATOM 417 OE1 GLU A 31 -2.982 -14.246 -10.756 1.00 11.45 O ATOM 418 OE2 GLU A 31 -1.559 -12.594 -10.225 1.00 3.41 O ATOM 0 H GLU A 31 -7.256 -10.124 -10.825 1.00 0.52 H new ATOM 0 HA GLU A 31 -6.556 -12.287 -9.014 1.00 50.22 H new ATOM 0 HB2 GLU A 31 -5.290 -12.995 -10.953 1.00 11.53 H new ATOM 0 HB3 GLU A 31 -4.677 -11.375 -11.214 1.00 11.53 H new ATOM 0 HG2 GLU A 31 -3.411 -11.434 -9.124 1.00 13.03 H new ATOM 0 HG3 GLU A 31 -4.170 -12.939 -8.644 1.00 13.03 H new ATOM 425 N ASP A 32 -5.019 -10.624 -7.753 1.00 21.23 N ATOM 426 CA ASP A 32 -4.542 -9.594 -6.846 1.00 22.24 C ATOM 427 C ASP A 32 -3.060 -9.326 -7.118 1.00 12.02 C ATOM 428 O ASP A 32 -2.195 -10.057 -6.639 1.00 42.01 O ATOM 429 CB ASP A 32 -4.681 -10.038 -5.388 1.00 3.11 C ATOM 430 CG ASP A 32 -5.836 -9.389 -4.622 1.00 74.52 C ATOM 431 OD1 ASP A 32 -6.975 -9.336 -5.111 1.00 11.33 O ATOM 432 OD2 ASP A 32 -5.526 -8.920 -3.461 1.00 40.05 O ATOM 0 H ASP A 32 -4.743 -11.574 -7.503 1.00 21.23 H new ATOM 0 HA ASP A 32 -5.140 -8.697 -7.010 1.00 22.24 H new ATOM 0 HB2 ASP A 32 -4.811 -11.120 -5.364 1.00 3.11 H new ATOM 0 HB3 ASP A 32 -3.750 -9.818 -4.866 1.00 3.11 H new ATOM 437 N MET A 33 -2.815 -8.276 -7.888 1.00 25.50 N ATOM 438 CA MET A 33 -1.452 -7.903 -8.231 1.00 15.11 C ATOM 439 C MET A 33 -0.512 -8.105 -7.040 1.00 2.40 C ATOM 440 O MET A 33 -0.955 -8.135 -5.893 1.00 34.23 O ATOM 441 CB MET A 33 -1.419 -6.435 -8.664 1.00 30.21 C ATOM 442 CG MET A 33 -1.670 -6.302 -10.167 1.00 23.31 C ATOM 443 SD MET A 33 -0.804 -4.878 -10.807 1.00 23.33 S ATOM 444 CE MET A 33 -2.095 -3.652 -10.688 1.00 14.11 C ATOM 0 H MET A 33 -3.536 -7.672 -8.284 1.00 25.50 H new ATOM 0 HA MET A 33 -1.115 -8.541 -9.048 1.00 15.11 H new ATOM 0 HB2 MET A 33 -2.174 -5.873 -8.114 1.00 30.21 H new ATOM 0 HB3 MET A 33 -0.452 -6.000 -8.413 1.00 30.21 H new ATOM 0 HG2 MET A 33 -1.335 -7.203 -10.681 1.00 23.31 H new ATOM 0 HG3 MET A 33 -2.739 -6.204 -10.358 1.00 23.31 H new ATOM 0 HE1 MET A 33 -2.249 -3.190 -11.663 1.00 14.11 H new ATOM 0 HE2 MET A 33 -3.020 -4.128 -10.362 1.00 14.11 H new ATOM 0 HE3 MET A 33 -1.806 -2.888 -9.966 1.00 14.11 H new ATOM 454 N VAL A 34 0.768 -8.237 -7.353 1.00 51.14 N ATOM 455 CA VAL A 34 1.775 -8.435 -6.324 1.00 73.13 C ATOM 456 C VAL A 34 2.671 -7.198 -6.250 1.00 4.04 C ATOM 457 O VAL A 34 2.670 -6.370 -7.159 1.00 4.11 O ATOM 458 CB VAL A 34 2.554 -9.724 -6.596 1.00 13.12 C ATOM 459 CG1 VAL A 34 3.392 -10.123 -5.380 1.00 31.52 C ATOM 460 CG2 VAL A 34 1.613 -10.857 -7.010 1.00 13.05 C ATOM 0 H VAL A 34 1.132 -8.211 -8.306 1.00 51.14 H new ATOM 0 HA VAL A 34 1.306 -8.555 -5.347 1.00 73.13 H new ATOM 0 HB VAL A 34 3.235 -9.536 -7.426 1.00 13.12 H new ATOM 0 HG11 VAL A 34 3.936 -11.042 -5.599 1.00 31.52 H new ATOM 0 HG12 VAL A 34 4.101 -9.328 -5.150 1.00 31.52 H new ATOM 0 HG13 VAL A 34 2.737 -10.284 -4.524 1.00 31.52 H new ATOM 0 HG21 VAL A 34 2.192 -11.761 -7.197 1.00 13.05 H new ATOM 0 HG22 VAL A 34 0.896 -11.045 -6.211 1.00 13.05 H new ATOM 0 HG23 VAL A 34 1.079 -10.574 -7.917 1.00 13.05 H new ATOM 470 N LYS A 35 3.417 -7.112 -5.158 1.00 24.40 N ATOM 471 CA LYS A 35 4.317 -5.991 -4.953 1.00 12.15 C ATOM 472 C LYS A 35 5.764 -6.487 -5.002 1.00 34.41 C ATOM 473 O LYS A 35 6.078 -7.549 -4.466 1.00 72.03 O ATOM 474 CB LYS A 35 3.965 -5.251 -3.660 1.00 44.33 C ATOM 475 CG LYS A 35 4.743 -5.821 -2.472 1.00 63.32 C ATOM 476 CD LYS A 35 6.003 -4.998 -2.195 1.00 70.45 C ATOM 477 CE LYS A 35 5.686 -3.795 -1.306 1.00 4.11 C ATOM 478 NZ LYS A 35 6.410 -3.897 -0.019 1.00 74.01 N ATOM 0 H LYS A 35 3.416 -7.801 -4.406 1.00 24.40 H new ATOM 0 HA LYS A 35 4.203 -5.260 -5.754 1.00 12.15 H new ATOM 0 HB2 LYS A 35 4.190 -4.190 -3.771 1.00 44.33 H new ATOM 0 HB3 LYS A 35 2.895 -5.332 -3.471 1.00 44.33 H new ATOM 0 HG2 LYS A 35 4.107 -5.828 -1.587 1.00 63.32 H new ATOM 0 HG3 LYS A 35 5.018 -6.856 -2.676 1.00 63.32 H new ATOM 0 HD2 LYS A 35 6.752 -5.625 -1.712 1.00 70.45 H new ATOM 0 HD3 LYS A 35 6.433 -4.656 -3.136 1.00 70.45 H new ATOM 0 HE2 LYS A 35 5.967 -2.874 -1.816 1.00 4.11 H new ATOM 0 HE3 LYS A 35 4.613 -3.743 -1.123 1.00 4.11 H new ATOM 0 HZ1 LYS A 35 6.184 -3.072 0.573 1.00 74.01 H new ATOM 0 HZ2 LYS A 35 6.122 -4.766 0.474 1.00 74.01 H new ATOM 0 HZ3 LYS A 35 7.434 -3.924 -0.198 1.00 74.01 H new ATOM 491 N GLN A 36 6.606 -5.697 -5.650 1.00 40.45 N ATOM 492 CA GLN A 36 8.011 -6.043 -5.777 1.00 3.14 C ATOM 493 C GLN A 36 8.774 -5.634 -4.515 1.00 52.25 C ATOM 494 O GLN A 36 9.875 -5.093 -4.600 1.00 4.23 O ATOM 495 CB GLN A 36 8.624 -5.398 -7.022 1.00 4.04 C ATOM 496 CG GLN A 36 7.670 -5.490 -8.213 1.00 52.21 C ATOM 497 CD GLN A 36 7.716 -6.882 -8.848 1.00 15.41 C ATOM 498 OE1 GLN A 36 8.614 -7.219 -9.601 1.00 61.04 O ATOM 499 NE2 GLN A 36 6.701 -7.668 -8.501 1.00 71.13 N ATOM 0 H GLN A 36 6.342 -4.817 -6.093 1.00 40.45 H new ATOM 0 HA GLN A 36 8.090 -7.124 -5.892 1.00 3.14 H new ATOM 0 HB2 GLN A 36 8.856 -4.353 -6.817 1.00 4.04 H new ATOM 0 HB3 GLN A 36 9.565 -5.892 -7.266 1.00 4.04 H new ATOM 0 HG2 GLN A 36 6.654 -5.269 -7.887 1.00 52.21 H new ATOM 0 HG3 GLN A 36 7.937 -4.739 -8.956 1.00 52.21 H new ATOM 0 HE21 GLN A 36 5.982 -7.322 -7.865 1.00 71.13 H new ATOM 0 HE22 GLN A 36 6.641 -8.617 -8.870 1.00 71.13 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -3.285 -1.274 -23.141 1.00 24.44 N ATOM 510 CA ALA B 1 -2.424 -0.299 -22.493 1.00 53.31 C ATOM 511 C ALA B 1 -1.011 -0.410 -23.069 1.00 11.21 C ATOM 512 O ALA B 1 -0.391 -1.470 -23.001 1.00 61.12 O ATOM 513 CB ALA B 1 -2.455 -0.515 -20.980 1.00 32.15 C ATOM 0 H1 ALA B 1 -3.923 -1.697 -22.436 1.00 24.44 H new ATOM 0 H2 ALA B 1 -3.847 -0.804 -23.879 1.00 24.44 H new ATOM 0 H3 ALA B 1 -2.702 -2.020 -23.572 1.00 24.44 H new ATOM 0 HA ALA B 1 -2.780 0.713 -22.685 1.00 53.31 H new ATOM 0 HB1 ALA B 1 -1.809 0.217 -20.495 1.00 32.15 H new ATOM 0 HB2 ALA B 1 -3.476 -0.396 -20.616 1.00 32.15 H new ATOM 0 HB3 ALA B 1 -2.103 -1.520 -20.749 1.00 32.15 H new ATOM 519 N ASN B 2 -0.543 0.700 -23.623 1.00 60.40 N ATOM 520 CA ASN B 2 0.785 0.740 -24.210 1.00 44.21 C ATOM 521 C ASN B 2 1.808 1.083 -23.125 1.00 60.04 C ATOM 522 O ASN B 2 1.571 1.965 -22.301 1.00 10.23 O ATOM 523 CB ASN B 2 0.873 1.811 -25.299 1.00 4.25 C ATOM 524 CG ASN B 2 -0.237 1.633 -26.336 1.00 74.42 C ATOM 525 OD1 ASN B 2 -0.334 0.621 -27.011 1.00 74.25 O ATOM 526 ND2 ASN B 2 -1.066 2.668 -26.424 1.00 72.21 N ATOM 0 H ASN B 2 -1.060 1.577 -23.677 1.00 60.40 H new ATOM 0 HA ASN B 2 0.990 -0.237 -24.647 1.00 44.21 H new ATOM 0 HB2 ASN B 2 0.798 2.800 -24.848 1.00 4.25 H new ATOM 0 HB3 ASN B 2 1.845 1.757 -25.789 1.00 4.25 H new ATOM 0 HD21 ASN B 2 -1.841 2.646 -27.087 1.00 72.21 H new ATOM 0 HD22 ASN B 2 -0.927 3.485 -25.829 1.00 72.21 H new ATOM 533 N GLU B 3 2.923 0.368 -23.160 1.00 33.10 N ATOM 534 CA GLU B 3 3.982 0.586 -22.190 1.00 31.52 C ATOM 535 C GLU B 3 4.256 2.083 -22.030 1.00 12.31 C ATOM 536 O GLU B 3 4.280 2.821 -23.013 1.00 11.53 O ATOM 537 CB GLU B 3 5.255 -0.164 -22.589 1.00 75.15 C ATOM 538 CG GLU B 3 6.384 0.103 -21.593 1.00 51.30 C ATOM 539 CD GLU B 3 7.645 -0.678 -21.971 1.00 74.41 C ATOM 540 OE1 GLU B 3 7.546 -1.809 -22.472 1.00 2.45 O ATOM 541 OE2 GLU B 3 8.756 -0.071 -21.728 1.00 21.24 O ATOM 0 H GLU B 3 3.116 -0.363 -23.845 1.00 33.10 H new ATOM 0 HA GLU B 3 3.653 0.191 -21.229 1.00 31.52 H new ATOM 0 HB2 GLU B 3 5.052 -1.234 -22.635 1.00 75.15 H new ATOM 0 HB3 GLU B 3 5.565 0.145 -23.587 1.00 75.15 H new ATOM 0 HG2 GLU B 3 6.607 1.170 -21.568 1.00 51.30 H new ATOM 0 HG3 GLU B 3 6.064 -0.180 -20.590 1.00 51.30 H new ATOM 548 N GLY B 4 4.455 2.485 -20.784 1.00 12.14 N ATOM 549 CA GLY B 4 4.726 3.881 -20.482 1.00 50.11 C ATOM 550 C GLY B 4 3.425 4.668 -20.313 1.00 12.34 C ATOM 551 O GLY B 4 3.438 5.897 -20.286 1.00 14.30 O ATOM 0 H GLY B 4 4.434 1.869 -19.971 1.00 12.14 H new ATOM 0 HA2 GLY B 4 5.319 3.951 -19.570 1.00 50.11 H new ATOM 0 HA3 GLY B 4 5.320 4.321 -21.283 1.00 50.11 H new ATOM 555 N ASP B 5 2.333 3.926 -20.201 1.00 11.30 N ATOM 556 CA ASP B 5 1.025 4.540 -20.035 1.00 24.33 C ATOM 557 C ASP B 5 0.732 4.705 -18.542 1.00 74.44 C ATOM 558 O ASP B 5 1.274 3.975 -17.714 1.00 13.32 O ATOM 559 CB ASP B 5 -0.074 3.665 -20.639 1.00 63.35 C ATOM 560 CG ASP B 5 -0.443 3.997 -22.087 1.00 12.23 C ATOM 561 OD1 ASP B 5 -0.573 5.255 -22.341 1.00 14.31 O ATOM 562 OD2 ASP B 5 -0.597 3.100 -22.929 1.00 73.20 O ATOM 0 H ASP B 5 2.326 2.906 -20.222 1.00 11.30 H new ATOM 0 HA ASP B 5 1.037 5.505 -20.542 1.00 24.33 H new ATOM 0 HB2 ASP B 5 0.244 2.624 -20.591 1.00 63.35 H new ATOM 0 HB3 ASP B 5 -0.968 3.754 -20.022 1.00 63.35 H new ATOM 567 N VAL B 6 -0.128 5.669 -18.245 1.00 33.24 N ATOM 568 CA VAL B 6 -0.501 5.939 -16.867 1.00 11.53 C ATOM 569 C VAL B 6 -2.016 5.783 -16.713 1.00 44.41 C ATOM 570 O VAL B 6 -2.776 6.165 -17.601 1.00 73.02 O ATOM 571 CB VAL B 6 0.003 7.323 -16.451 1.00 15.03 C ATOM 572 CG1 VAL B 6 -0.837 7.890 -15.304 1.00 13.10 C ATOM 573 CG2 VAL B 6 1.484 7.276 -16.074 1.00 2.11 C ATOM 0 H VAL B 6 -0.577 6.272 -18.935 1.00 33.24 H new ATOM 0 HA VAL B 6 -0.031 5.221 -16.196 1.00 11.53 H new ATOM 0 HB VAL B 6 -0.104 7.990 -17.306 1.00 15.03 H new ATOM 0 HG11 VAL B 6 -0.458 8.874 -15.027 1.00 13.10 H new ATOM 0 HG12 VAL B 6 -1.876 7.977 -15.622 1.00 13.10 H new ATOM 0 HG13 VAL B 6 -0.776 7.223 -14.444 1.00 13.10 H new ATOM 0 HG21 VAL B 6 1.817 8.272 -15.782 1.00 2.11 H new ATOM 0 HG22 VAL B 6 1.626 6.588 -15.241 1.00 2.11 H new ATOM 0 HG23 VAL B 6 2.067 6.935 -16.930 1.00 2.11 H new ATOM 583 N TYR B 7 -2.408 5.221 -15.579 1.00 50.11 N ATOM 584 CA TYR B 7 -3.817 5.009 -15.298 1.00 15.45 C ATOM 585 C TYR B 7 -4.198 5.595 -13.936 1.00 75.20 C ATOM 586 O TYR B 7 -3.471 5.426 -12.959 1.00 24.35 O ATOM 587 CB TYR B 7 -4.017 3.493 -15.262 1.00 33.32 C ATOM 588 CG TYR B 7 -4.433 2.889 -16.604 1.00 64.01 C ATOM 589 CD1 TYR B 7 -3.609 3.017 -17.703 1.00 64.41 C ATOM 590 CD2 TYR B 7 -5.632 2.215 -16.717 1.00 10.14 C ATOM 591 CE1 TYR B 7 -4.000 2.448 -18.967 1.00 62.21 C ATOM 592 CE2 TYR B 7 -6.023 1.646 -17.980 1.00 23.22 C ATOM 593 CZ TYR B 7 -5.188 1.791 -19.043 1.00 70.34 C ATOM 594 OH TYR B 7 -5.557 1.253 -20.237 1.00 61.34 O ATOM 0 H TYR B 7 -1.774 4.906 -14.844 1.00 50.11 H new ATOM 0 HA TYR B 7 -4.436 5.494 -16.053 1.00 15.45 H new ATOM 0 HB2 TYR B 7 -3.090 3.022 -14.935 1.00 33.32 H new ATOM 0 HB3 TYR B 7 -4.776 3.254 -14.517 1.00 33.32 H new ATOM 0 HD1 TYR B 7 -2.670 3.544 -17.616 1.00 64.41 H new ATOM 0 HD2 TYR B 7 -6.277 2.114 -15.857 1.00 10.14 H new ATOM 0 HE1 TYR B 7 -3.364 2.541 -19.835 1.00 62.21 H new ATOM 0 HE2 TYR B 7 -6.959 1.116 -18.081 1.00 23.22 H new ATOM 0 HH TYR B 7 -6.428 0.813 -20.142 1.00 61.34 H new ATOM 604 N LYS B 8 -5.339 6.269 -13.916 1.00 3.53 N ATOM 605 CA LYS B 8 -5.824 6.880 -12.690 1.00 51.02 C ATOM 606 C LYS B 8 -7.302 6.530 -12.503 1.00 22.45 C ATOM 607 O LYS B 8 -8.046 6.417 -13.475 1.00 2.41 O ATOM 608 CB LYS B 8 -5.545 8.384 -12.694 1.00 22.12 C ATOM 609 CG LYS B 8 -6.078 9.044 -11.420 1.00 31.14 C ATOM 610 CD LYS B 8 -7.102 10.131 -11.752 1.00 61.21 C ATOM 611 CE LYS B 8 -7.632 10.793 -10.479 1.00 65.02 C ATOM 612 NZ LYS B 8 -9.011 11.286 -10.686 1.00 23.43 N ATOM 0 H LYS B 8 -5.941 6.405 -14.728 1.00 3.53 H new ATOM 0 HA LYS B 8 -5.289 6.482 -11.828 1.00 51.02 H new ATOM 0 HB2 LYS B 8 -4.472 8.558 -12.777 1.00 22.12 H new ATOM 0 HB3 LYS B 8 -6.010 8.842 -13.567 1.00 22.12 H new ATOM 0 HG2 LYS B 8 -6.537 8.290 -10.781 1.00 31.14 H new ATOM 0 HG3 LYS B 8 -5.251 9.478 -10.858 1.00 31.14 H new ATOM 0 HD2 LYS B 8 -6.644 10.884 -12.394 1.00 61.21 H new ATOM 0 HD3 LYS B 8 -7.930 9.696 -12.312 1.00 61.21 H new ATOM 0 HE2 LYS B 8 -7.615 10.078 -9.656 1.00 65.02 H new ATOM 0 HE3 LYS B 8 -6.982 11.621 -10.195 1.00 65.02 H new ATOM 0 HZ1 LYS B 8 -9.380 11.671 -9.793 1.00 23.43 H new ATOM 0 HZ2 LYS B 8 -9.008 12.032 -11.410 1.00 23.43 H new ATOM 0 HZ3 LYS B 8 -9.617 10.501 -11.001 1.00 23.43 H new ATOM 625 N CYS B 9 -7.683 6.366 -11.244 1.00 43.43 N ATOM 626 CA CYS B 9 -9.058 6.031 -10.916 1.00 11.32 C ATOM 627 C CYS B 9 -9.853 7.332 -10.790 1.00 3.34 C ATOM 628 O CYS B 9 -9.274 8.417 -10.766 1.00 73.14 O ATOM 629 CB CYS B 9 -9.146 5.183 -9.645 1.00 42.01 C ATOM 630 SG CYS B 9 -10.763 4.365 -9.379 1.00 31.52 S ATOM 0 H CYS B 9 -7.063 6.459 -10.439 1.00 43.43 H new ATOM 0 HA CYS B 9 -9.486 5.421 -11.712 1.00 11.32 H new ATOM 0 HB2 CYS B 9 -8.369 4.419 -9.680 1.00 42.01 H new ATOM 0 HB3 CYS B 9 -8.930 5.818 -8.786 1.00 42.01 H new ATOM 635 N GLU B 10 -11.167 7.180 -10.711 1.00 51.32 N ATOM 636 CA GLU B 10 -12.047 8.330 -10.588 1.00 62.04 C ATOM 637 C GLU B 10 -12.818 8.269 -9.269 1.00 35.33 C ATOM 638 O GLU B 10 -13.743 9.049 -9.048 1.00 51.54 O ATOM 639 CB GLU B 10 -13.003 8.418 -11.779 1.00 13.52 C ATOM 640 CG GLU B 10 -12.231 8.536 -13.094 1.00 40.13 C ATOM 641 CD GLU B 10 -11.588 9.918 -13.230 1.00 73.31 C ATOM 642 OE1 GLU B 10 -11.465 10.645 -12.234 1.00 65.22 O ATOM 643 OE2 GLU B 10 -11.209 10.227 -14.424 1.00 3.12 O ATOM 0 H GLU B 10 -11.643 6.278 -10.730 1.00 51.32 H new ATOM 0 HA GLU B 10 -11.436 9.233 -10.587 1.00 62.04 H new ATOM 0 HB2 GLU B 10 -13.640 7.534 -11.805 1.00 13.52 H new ATOM 0 HB3 GLU B 10 -13.660 9.280 -11.660 1.00 13.52 H new ATOM 0 HG2 GLU B 10 -11.460 7.766 -13.138 1.00 40.13 H new ATOM 0 HG3 GLU B 10 -12.905 8.360 -13.933 1.00 40.13 H new ATOM 650 N LEU B 11 -12.410 7.333 -8.424 1.00 21.21 N ATOM 651 CA LEU B 11 -13.052 7.159 -7.132 1.00 24.03 C ATOM 652 C LEU B 11 -11.981 7.100 -6.040 1.00 34.31 C ATOM 653 O LEU B 11 -11.881 8.006 -5.214 1.00 40.53 O ATOM 654 CB LEU B 11 -13.978 5.942 -7.153 1.00 31.55 C ATOM 655 CG LEU B 11 -14.161 5.216 -5.818 1.00 43.02 C ATOM 656 CD1 LEU B 11 -15.135 5.971 -4.912 1.00 11.53 C ATOM 657 CD2 LEU B 11 -14.592 3.764 -6.038 1.00 5.32 C ATOM 0 H LEU B 11 -11.643 6.687 -8.609 1.00 21.21 H new ATOM 0 HA LEU B 11 -13.692 8.012 -6.906 1.00 24.03 H new ATOM 0 HB2 LEU B 11 -14.958 6.262 -7.507 1.00 31.55 H new ATOM 0 HB3 LEU B 11 -13.592 5.229 -7.882 1.00 31.55 H new ATOM 0 HG LEU B 11 -13.198 5.193 -5.307 1.00 43.02 H new ATOM 0 HD11 LEU B 11 -15.247 5.434 -3.970 1.00 11.53 H new ATOM 0 HD12 LEU B 11 -14.748 6.971 -4.715 1.00 11.53 H new ATOM 0 HD13 LEU B 11 -16.105 6.047 -5.404 1.00 11.53 H new ATOM 0 HD21 LEU B 11 -14.715 3.271 -5.074 1.00 5.32 H new ATOM 0 HD22 LEU B 11 -15.538 3.743 -6.579 1.00 5.32 H new ATOM 0 HD23 LEU B 11 -13.831 3.242 -6.618 1.00 5.32 H new ATOM 669 N CYS B 12 -11.209 6.024 -6.071 1.00 35.32 N ATOM 670 CA CYS B 12 -10.151 5.833 -5.093 1.00 43.11 C ATOM 671 C CYS B 12 -9.056 6.866 -5.365 1.00 42.23 C ATOM 672 O CYS B 12 -8.217 7.129 -4.504 1.00 52.23 O ATOM 673 CB CYS B 12 -9.606 4.403 -5.120 1.00 52.42 C ATOM 674 SG CYS B 12 -8.682 3.963 -6.637 1.00 74.20 S ATOM 0 H CYS B 12 -11.295 5.275 -6.758 1.00 35.32 H new ATOM 0 HA CYS B 12 -10.549 5.981 -4.089 1.00 43.11 H new ATOM 0 HB2 CYS B 12 -8.952 4.262 -4.259 1.00 52.42 H new ATOM 0 HB3 CYS B 12 -10.439 3.709 -5.005 1.00 52.42 H new ATOM 679 N GLY B 13 -9.098 7.425 -6.567 1.00 33.13 N ATOM 680 CA GLY B 13 -8.120 8.424 -6.962 1.00 21.01 C ATOM 681 C GLY B 13 -6.699 7.860 -6.889 1.00 34.43 C ATOM 682 O GLY B 13 -5.793 8.514 -6.375 1.00 71.12 O ATOM 0 H GLY B 13 -9.794 7.204 -7.279 1.00 33.13 H new ATOM 0 HA2 GLY B 13 -8.329 8.761 -7.977 1.00 21.01 H new ATOM 0 HA3 GLY B 13 -8.203 9.296 -6.313 1.00 21.01 H new ATOM 686 N GLN B 14 -6.550 6.649 -7.409 1.00 1.31 N ATOM 687 CA GLN B 14 -5.256 5.990 -7.409 1.00 24.21 C ATOM 688 C GLN B 14 -4.581 6.144 -8.773 1.00 42.43 C ATOM 689 O GLN B 14 -5.226 5.995 -9.809 1.00 64.33 O ATOM 690 CB GLN B 14 -5.392 4.514 -7.028 1.00 74.44 C ATOM 691 CG GLN B 14 -4.083 3.762 -7.270 1.00 63.10 C ATOM 692 CD GLN B 14 -3.773 2.813 -6.111 1.00 34.50 C ATOM 693 OE1 GLN B 14 -2.818 2.986 -5.371 1.00 15.11 O ATOM 694 NE2 GLN B 14 -4.631 1.803 -5.995 1.00 61.11 N ATOM 0 H GLN B 14 -7.304 6.109 -7.833 1.00 1.31 H new ATOM 0 HA GLN B 14 -4.627 6.469 -6.658 1.00 24.21 H new ATOM 0 HB2 GLN B 14 -5.675 4.430 -5.979 1.00 74.44 H new ATOM 0 HB3 GLN B 14 -6.191 4.057 -7.611 1.00 74.44 H new ATOM 0 HG2 GLN B 14 -4.151 3.197 -8.199 1.00 63.10 H new ATOM 0 HG3 GLN B 14 -3.267 4.475 -7.389 1.00 63.10 H new ATOM 0 HE21 GLN B 14 -5.409 1.717 -6.649 1.00 61.11 H new ATOM 0 HE22 GLN B 14 -4.511 1.114 -5.252 1.00 61.11 H new ATOM 703 N VAL B 15 -3.291 6.442 -8.729 1.00 61.21 N ATOM 704 CA VAL B 15 -2.521 6.618 -9.949 1.00 34.11 C ATOM 705 C VAL B 15 -1.422 5.555 -10.012 1.00 41.21 C ATOM 706 O VAL B 15 -0.705 5.341 -9.036 1.00 12.12 O ATOM 707 CB VAL B 15 -1.977 8.046 -10.023 1.00 3.23 C ATOM 708 CG1 VAL B 15 -1.384 8.336 -11.403 1.00 22.11 C ATOM 709 CG2 VAL B 15 -3.061 9.065 -9.666 1.00 10.34 C ATOM 0 H VAL B 15 -2.759 6.566 -7.867 1.00 61.21 H new ATOM 0 HA VAL B 15 -3.156 6.481 -10.824 1.00 34.11 H new ATOM 0 HB VAL B 15 -1.177 8.138 -9.289 1.00 3.23 H new ATOM 0 HG11 VAL B 15 -1.005 9.357 -11.429 1.00 22.11 H new ATOM 0 HG12 VAL B 15 -0.568 7.641 -11.602 1.00 22.11 H new ATOM 0 HG13 VAL B 15 -2.156 8.217 -12.163 1.00 22.11 H new ATOM 0 HG21 VAL B 15 -2.648 10.072 -9.726 1.00 10.34 H new ATOM 0 HG22 VAL B 15 -3.893 8.971 -10.364 1.00 10.34 H new ATOM 0 HG23 VAL B 15 -3.416 8.879 -8.652 1.00 10.34 H new ATOM 719 N VAL B 16 -1.324 4.918 -11.169 1.00 13.40 N ATOM 720 CA VAL B 16 -0.325 3.884 -11.372 1.00 64.53 C ATOM 721 C VAL B 16 0.206 3.968 -12.804 1.00 64.10 C ATOM 722 O VAL B 16 -0.412 4.592 -13.664 1.00 72.23 O ATOM 723 CB VAL B 16 -0.915 2.513 -11.034 1.00 2.53 C ATOM 724 CG1 VAL B 16 -1.202 2.395 -9.535 1.00 3.31 C ATOM 725 CG2 VAL B 16 -2.175 2.240 -11.856 1.00 62.22 C ATOM 0 H VAL B 16 -1.921 5.098 -11.976 1.00 13.40 H new ATOM 0 HA VAL B 16 0.521 4.034 -10.702 1.00 64.53 H new ATOM 0 HB VAL B 16 -0.175 1.756 -11.295 1.00 2.53 H new ATOM 0 HG11 VAL B 16 -1.621 1.412 -9.321 1.00 3.31 H new ATOM 0 HG12 VAL B 16 -0.275 2.524 -8.976 1.00 3.31 H new ATOM 0 HG13 VAL B 16 -1.915 3.165 -9.239 1.00 3.31 H new ATOM 0 HG21 VAL B 16 -2.574 1.259 -11.596 1.00 62.22 H new ATOM 0 HG22 VAL B 16 -2.922 3.004 -11.641 1.00 62.22 H new ATOM 0 HG23 VAL B 16 -1.929 2.262 -12.918 1.00 62.22 H new ATOM 735 N LYS B 17 1.349 3.331 -13.016 1.00 3.33 N ATOM 736 CA LYS B 17 1.972 3.327 -14.329 1.00 15.13 C ATOM 737 C LYS B 17 1.889 1.919 -14.923 1.00 74.40 C ATOM 738 O LYS B 17 1.653 0.950 -14.203 1.00 1.34 O ATOM 739 CB LYS B 17 3.397 3.876 -14.248 1.00 40.41 C ATOM 740 CG LYS B 17 3.739 4.699 -15.492 1.00 13.32 C ATOM 741 CD LYS B 17 5.248 4.714 -15.742 1.00 3.22 C ATOM 742 CE LYS B 17 5.718 6.105 -16.176 1.00 21.31 C ATOM 743 NZ LYS B 17 6.105 6.098 -17.604 1.00 3.24 N ATOM 0 H LYS B 17 1.860 2.814 -12.300 1.00 3.33 H new ATOM 0 HA LYS B 17 1.437 3.992 -15.006 1.00 15.13 H new ATOM 0 HB2 LYS B 17 3.502 4.496 -13.357 1.00 40.41 H new ATOM 0 HB3 LYS B 17 4.103 3.052 -14.147 1.00 40.41 H new ATOM 0 HG2 LYS B 17 3.227 4.283 -16.360 1.00 13.32 H new ATOM 0 HG3 LYS B 17 3.377 5.720 -15.368 1.00 13.32 H new ATOM 0 HD2 LYS B 17 5.774 4.415 -14.835 1.00 3.22 H new ATOM 0 HD3 LYS B 17 5.500 3.984 -16.512 1.00 3.22 H new ATOM 0 HE2 LYS B 17 4.922 6.832 -16.012 1.00 21.31 H new ATOM 0 HE3 LYS B 17 6.565 6.416 -15.565 1.00 21.31 H new ATOM 0 HZ1 LYS B 17 6.421 7.049 -17.883 1.00 3.24 H new ATOM 0 HZ2 LYS B 17 6.879 5.419 -17.751 1.00 3.24 H new ATOM 0 HZ3 LYS B 17 5.287 5.821 -18.184 1.00 3.24 H new ATOM 756 N VAL B 18 2.087 1.851 -16.231 1.00 31.43 N ATOM 757 CA VAL B 18 2.037 0.578 -16.931 1.00 33.55 C ATOM 758 C VAL B 18 3.433 0.234 -17.455 1.00 54.20 C ATOM 759 O VAL B 18 3.763 0.548 -18.597 1.00 62.25 O ATOM 760 CB VAL B 18 0.978 0.628 -18.033 1.00 40.44 C ATOM 761 CG1 VAL B 18 1.088 -0.589 -18.953 1.00 60.45 C ATOM 762 CG2 VAL B 18 -0.427 0.742 -17.440 1.00 73.51 C ATOM 0 H VAL B 18 2.282 2.657 -16.825 1.00 31.43 H new ATOM 0 HA VAL B 18 1.740 -0.221 -16.251 1.00 33.55 H new ATOM 0 HB VAL B 18 1.161 1.520 -18.633 1.00 40.44 H new ATOM 0 HG11 VAL B 18 0.324 -0.529 -19.728 1.00 60.45 H new ATOM 0 HG12 VAL B 18 2.074 -0.607 -19.416 1.00 60.45 H new ATOM 0 HG13 VAL B 18 0.944 -1.499 -18.371 1.00 60.45 H new ATOM 0 HG21 VAL B 18 -1.160 0.776 -18.246 1.00 73.51 H new ATOM 0 HG22 VAL B 18 -0.625 -0.121 -16.805 1.00 73.51 H new ATOM 0 HG23 VAL B 18 -0.498 1.653 -16.846 1.00 73.51 H new ATOM 772 N LEU B 19 4.212 -0.406 -16.596 1.00 2.54 N ATOM 773 CA LEU B 19 5.564 -0.795 -16.958 1.00 50.45 C ATOM 774 C LEU B 19 5.506 -1.922 -17.992 1.00 13.14 C ATOM 775 O LEU B 19 6.308 -1.958 -18.923 1.00 12.03 O ATOM 776 CB LEU B 19 6.374 -1.146 -15.709 1.00 41.12 C ATOM 777 CG LEU B 19 7.579 -0.248 -15.417 1.00 33.21 C ATOM 778 CD1 LEU B 19 8.601 -0.316 -16.552 1.00 43.21 C ATOM 779 CD2 LEU B 19 7.136 1.186 -15.128 1.00 53.51 C ATOM 0 H LEU B 19 3.933 -0.665 -15.650 1.00 2.54 H new ATOM 0 HA LEU B 19 6.089 0.039 -17.424 1.00 50.45 H new ATOM 0 HB2 LEU B 19 5.707 -1.117 -14.847 1.00 41.12 H new ATOM 0 HB3 LEU B 19 6.726 -2.173 -15.805 1.00 41.12 H new ATOM 0 HG LEU B 19 8.072 -0.619 -14.519 1.00 33.21 H new ATOM 0 HD11 LEU B 19 9.447 0.331 -16.319 1.00 43.21 H new ATOM 0 HD12 LEU B 19 8.950 -1.342 -16.666 1.00 43.21 H new ATOM 0 HD13 LEU B 19 8.136 0.015 -17.481 1.00 43.21 H new ATOM 0 HD21 LEU B 19 8.011 1.803 -14.924 1.00 53.51 H new ATOM 0 HD22 LEU B 19 6.605 1.584 -15.993 1.00 53.51 H new ATOM 0 HD23 LEU B 19 6.475 1.195 -14.261 1.00 53.51 H new ATOM 791 N GLU B 20 4.548 -2.815 -17.791 1.00 53.02 N ATOM 792 CA GLU B 20 4.375 -3.941 -18.693 1.00 74.13 C ATOM 793 C GLU B 20 2.887 -4.253 -18.874 1.00 4.34 C ATOM 794 O GLU B 20 2.202 -4.601 -17.913 1.00 2.41 O ATOM 795 CB GLU B 20 5.135 -5.170 -18.190 1.00 72.00 C ATOM 796 CG GLU B 20 6.635 -5.035 -18.460 1.00 54.25 C ATOM 797 CD GLU B 20 7.440 -5.978 -17.565 1.00 70.22 C ATOM 798 OE1 GLU B 20 7.388 -7.223 -17.899 1.00 22.34 O ATOM 799 OE2 GLU B 20 8.077 -5.527 -16.601 1.00 42.32 O ATOM 0 H GLU B 20 3.884 -2.782 -17.017 1.00 53.02 H new ATOM 0 HA GLU B 20 4.791 -3.670 -19.663 1.00 74.13 H new ATOM 0 HB2 GLU B 20 4.964 -5.295 -17.121 1.00 72.00 H new ATOM 0 HB3 GLU B 20 4.752 -6.065 -18.681 1.00 72.00 H new ATOM 0 HG2 GLU B 20 6.841 -5.257 -19.507 1.00 54.25 H new ATOM 0 HG3 GLU B 20 6.948 -4.006 -18.285 1.00 54.25 H new ATOM 806 N GLU B 21 2.432 -4.117 -20.111 1.00 12.44 N ATOM 807 CA GLU B 21 1.039 -4.379 -20.429 1.00 2.43 C ATOM 808 C GLU B 21 0.595 -5.707 -19.813 1.00 23.22 C ATOM 809 O GLU B 21 1.424 -6.568 -19.520 1.00 44.44 O ATOM 810 CB GLU B 21 0.811 -4.372 -21.941 1.00 61.20 C ATOM 811 CG GLU B 21 -0.678 -4.487 -22.272 1.00 31.23 C ATOM 812 CD GLU B 21 -0.908 -4.450 -23.785 1.00 15.54 C ATOM 813 OE1 GLU B 21 -0.838 -5.594 -24.374 1.00 74.45 O ATOM 814 OE2 GLU B 21 -1.140 -3.371 -24.349 1.00 51.34 O ATOM 0 H GLU B 21 3.004 -3.829 -20.905 1.00 12.44 H new ATOM 0 HA GLU B 21 0.432 -3.581 -20.000 1.00 2.43 H new ATOM 0 HB2 GLU B 21 1.212 -3.453 -22.368 1.00 61.20 H new ATOM 0 HB3 GLU B 21 1.354 -5.200 -22.398 1.00 61.20 H new ATOM 0 HG2 GLU B 21 -1.074 -5.416 -21.863 1.00 31.23 H new ATOM 0 HG3 GLU B 21 -1.224 -3.671 -21.798 1.00 31.23 H new ATOM 821 N GLY B 22 -0.712 -5.833 -19.634 1.00 62.05 N ATOM 822 CA GLY B 22 -1.275 -7.042 -19.059 1.00 33.14 C ATOM 823 C GLY B 22 -2.324 -7.655 -19.989 1.00 12.11 C ATOM 824 O GLY B 22 -2.691 -7.054 -20.998 1.00 72.51 O ATOM 0 H GLY B 22 -1.397 -5.117 -19.877 1.00 62.05 H new ATOM 0 HA2 GLY B 22 -0.481 -7.765 -18.874 1.00 33.14 H new ATOM 0 HA3 GLY B 22 -1.728 -6.813 -18.094 1.00 33.14 H new ATOM 828 N GLY B 23 -2.779 -8.843 -19.616 1.00 44.30 N ATOM 829 CA GLY B 23 -3.778 -9.543 -20.404 1.00 62.01 C ATOM 830 C GLY B 23 -5.146 -9.494 -19.723 1.00 14.53 C ATOM 831 O GLY B 23 -5.995 -10.351 -19.964 1.00 61.52 O ATOM 0 H GLY B 23 -2.473 -9.338 -18.778 1.00 44.30 H new ATOM 0 HA2 GLY B 23 -3.845 -9.094 -21.395 1.00 62.01 H new ATOM 0 HA3 GLY B 23 -3.474 -10.580 -20.544 1.00 62.01 H new ATOM 835 N GLY B 24 -5.318 -8.482 -18.885 1.00 15.12 N ATOM 836 CA GLY B 24 -6.571 -8.310 -18.167 1.00 64.43 C ATOM 837 C GLY B 24 -6.917 -6.828 -18.018 1.00 53.42 C ATOM 838 O GLY B 24 -6.544 -6.011 -18.859 1.00 12.05 O ATOM 0 H GLY B 24 -4.612 -7.773 -18.687 1.00 15.12 H new ATOM 0 HA2 GLY B 24 -7.373 -8.823 -18.699 1.00 64.43 H new ATOM 0 HA3 GLY B 24 -6.496 -8.771 -17.182 1.00 64.43 H new ATOM 842 N THR B 25 -7.628 -6.524 -16.942 1.00 21.32 N ATOM 843 CA THR B 25 -8.030 -5.154 -16.671 1.00 71.25 C ATOM 844 C THR B 25 -7.441 -4.678 -15.343 1.00 60.40 C ATOM 845 O THR B 25 -7.242 -5.475 -14.427 1.00 0.45 O ATOM 846 CB THR B 25 -9.558 -5.092 -16.716 1.00 12.04 C ATOM 847 OG1 THR B 25 -9.876 -5.331 -18.084 1.00 35.45 O ATOM 848 CG2 THR B 25 -10.096 -3.685 -16.448 1.00 45.31 C ATOM 0 H THR B 25 -7.936 -7.204 -16.247 1.00 21.32 H new ATOM 0 HA THR B 25 -7.641 -4.471 -17.426 1.00 71.25 H new ATOM 0 HB THR B 25 -9.970 -5.784 -15.981 1.00 12.04 H new ATOM 0 HG1 THR B 25 -10.849 -5.310 -18.202 1.00 35.45 H new ATOM 0 HG21 THR B 25 -11.185 -3.697 -16.492 1.00 45.31 H new ATOM 0 HG22 THR B 25 -9.776 -3.355 -15.459 1.00 45.31 H new ATOM 0 HG23 THR B 25 -9.710 -2.998 -17.202 1.00 45.31 H new ATOM 856 N LEU B 26 -7.177 -3.381 -15.279 1.00 52.34 N ATOM 857 CA LEU B 26 -6.615 -2.789 -14.078 1.00 21.01 C ATOM 858 C LEU B 26 -7.749 -2.403 -13.126 1.00 63.32 C ATOM 859 O LEU B 26 -8.234 -1.273 -13.158 1.00 21.20 O ATOM 860 CB LEU B 26 -5.690 -1.625 -14.437 1.00 1.51 C ATOM 861 CG LEU B 26 -4.452 -1.980 -15.263 1.00 72.15 C ATOM 862 CD1 LEU B 26 -3.531 -0.769 -15.422 1.00 12.25 C ATOM 863 CD2 LEU B 26 -3.720 -3.183 -14.665 1.00 14.43 C ATOM 0 H LEU B 26 -7.342 -2.723 -16.041 1.00 52.34 H new ATOM 0 HA LEU B 26 -5.990 -3.512 -13.553 1.00 21.01 H new ATOM 0 HB2 LEU B 26 -6.269 -0.884 -14.988 1.00 1.51 H new ATOM 0 HB3 LEU B 26 -5.361 -1.150 -13.513 1.00 1.51 H new ATOM 0 HG LEU B 26 -4.780 -2.267 -16.262 1.00 72.15 H new ATOM 0 HD11 LEU B 26 -2.659 -1.050 -16.013 1.00 12.25 H new ATOM 0 HD12 LEU B 26 -4.069 0.033 -15.927 1.00 12.25 H new ATOM 0 HD13 LEU B 26 -3.208 -0.426 -14.439 1.00 12.25 H new ATOM 0 HD21 LEU B 26 -2.844 -3.414 -15.271 1.00 14.43 H new ATOM 0 HD22 LEU B 26 -3.406 -2.949 -13.648 1.00 14.43 H new ATOM 0 HD23 LEU B 26 -4.388 -4.044 -14.649 1.00 14.43 H new ATOM 875 N VAL B 27 -8.137 -3.364 -12.300 1.00 10.20 N ATOM 876 CA VAL B 27 -9.205 -3.138 -11.340 1.00 43.14 C ATOM 877 C VAL B 27 -8.628 -2.469 -10.092 1.00 11.44 C ATOM 878 O VAL B 27 -7.448 -2.628 -9.786 1.00 70.33 O ATOM 879 CB VAL B 27 -9.921 -4.456 -11.036 1.00 72.11 C ATOM 880 CG1 VAL B 27 -10.586 -4.412 -9.659 1.00 72.44 C ATOM 881 CG2 VAL B 27 -10.940 -4.791 -12.127 1.00 40.30 C ATOM 0 H VAL B 27 -7.732 -4.300 -12.276 1.00 10.20 H new ATOM 0 HA VAL B 27 -9.955 -2.464 -11.753 1.00 43.14 H new ATOM 0 HB VAL B 27 -9.173 -5.249 -11.022 1.00 72.11 H new ATOM 0 HG11 VAL B 27 -11.088 -5.360 -9.467 1.00 72.44 H new ATOM 0 HG12 VAL B 27 -9.828 -4.241 -8.894 1.00 72.44 H new ATOM 0 HG13 VAL B 27 -11.316 -3.603 -9.633 1.00 72.44 H new ATOM 0 HG21 VAL B 27 -11.434 -5.732 -11.886 1.00 40.30 H new ATOM 0 HG22 VAL B 27 -11.683 -3.996 -12.187 1.00 40.30 H new ATOM 0 HG23 VAL B 27 -10.429 -4.884 -13.086 1.00 40.30 H new ATOM 891 N CYS B 28 -9.489 -1.733 -9.403 1.00 23.43 N ATOM 892 CA CYS B 28 -9.081 -1.039 -8.193 1.00 42.33 C ATOM 893 C CYS B 28 -10.340 -0.586 -7.451 1.00 43.44 C ATOM 894 O CYS B 28 -11.283 -0.090 -8.067 1.00 22.23 O ATOM 895 CB CYS B 28 -8.147 0.133 -8.502 1.00 50.54 C ATOM 896 SG CYS B 28 -8.945 1.550 -9.343 1.00 31.01 S ATOM 0 H CYS B 28 -10.467 -1.602 -9.660 1.00 23.43 H new ATOM 0 HA CYS B 28 -8.510 -1.716 -7.557 1.00 42.33 H new ATOM 0 HB2 CYS B 28 -7.706 0.484 -7.569 1.00 50.54 H new ATOM 0 HB3 CYS B 28 -7.329 -0.227 -9.125 1.00 50.54 H new ATOM 901 N CYS B 29 -10.314 -0.771 -6.140 1.00 42.44 N ATOM 902 CA CYS B 29 -11.441 -0.387 -5.308 1.00 23.23 C ATOM 903 C CYS B 29 -12.721 -0.910 -5.961 1.00 74.41 C ATOM 904 O CYS B 29 -13.550 -0.130 -6.424 1.00 54.31 O ATOM 905 CB CYS B 29 -11.491 1.127 -5.086 1.00 73.32 C ATOM 906 SG CYS B 29 -11.934 2.104 -6.568 1.00 4.50 S ATOM 0 H CYS B 29 -9.530 -1.182 -5.633 1.00 42.44 H new ATOM 0 HA CYS B 29 -11.332 -0.830 -4.318 1.00 23.23 H new ATOM 0 HB2 CYS B 29 -12.213 1.341 -4.298 1.00 73.32 H new ATOM 0 HB3 CYS B 29 -10.518 1.460 -4.726 1.00 73.32 H new ATOM 911 N GLY B 30 -12.842 -2.231 -5.977 1.00 50.41 N ATOM 912 CA GLY B 30 -14.007 -2.868 -6.566 1.00 52.14 C ATOM 913 C GLY B 30 -14.491 -2.098 -7.797 1.00 24.13 C ATOM 914 O GLY B 30 -15.690 -2.033 -8.062 1.00 32.13 O ATOM 0 H GLY B 30 -12.152 -2.876 -5.591 1.00 50.41 H new ATOM 0 HA2 GLY B 30 -13.762 -3.892 -6.847 1.00 52.14 H new ATOM 0 HA3 GLY B 30 -14.808 -2.922 -5.829 1.00 52.14 H new ATOM 918 N GLU B 31 -13.531 -1.534 -8.516 1.00 74.23 N ATOM 919 CA GLU B 31 -13.844 -0.771 -9.713 1.00 5.54 C ATOM 920 C GLU B 31 -12.814 -1.057 -10.808 1.00 42.00 C ATOM 921 O GLU B 31 -12.041 -2.008 -10.706 1.00 11.43 O ATOM 922 CB GLU B 31 -13.916 0.726 -9.405 1.00 30.22 C ATOM 923 CG GLU B 31 -15.357 1.234 -9.494 1.00 1.11 C ATOM 924 CD GLU B 31 -15.518 2.226 -10.648 1.00 62.10 C ATOM 925 OE1 GLU B 31 -15.159 3.404 -10.508 1.00 5.42 O ATOM 926 OE2 GLU B 31 -16.037 1.734 -11.722 1.00 1.05 O ATOM 0 H GLU B 31 -12.537 -1.590 -8.293 1.00 74.23 H new ATOM 0 HA GLU B 31 -14.825 -1.082 -10.073 1.00 5.54 H new ATOM 0 HB2 GLU B 31 -13.521 0.915 -8.407 1.00 30.22 H new ATOM 0 HB3 GLU B 31 -13.288 1.276 -10.106 1.00 30.22 H new ATOM 0 HG2 GLU B 31 -16.035 0.392 -9.636 1.00 1.11 H new ATOM 0 HG3 GLU B 31 -15.636 1.714 -8.556 1.00 1.11 H new ATOM 933 N ASP B 32 -12.836 -0.214 -11.831 1.00 74.42 N ATOM 934 CA ASP B 32 -11.915 -0.364 -12.943 1.00 64.23 C ATOM 935 C ASP B 32 -11.237 0.978 -13.223 1.00 4.34 C ATOM 936 O ASP B 32 -11.861 1.895 -13.756 1.00 33.32 O ATOM 937 CB ASP B 32 -12.651 -0.795 -14.214 1.00 42.13 C ATOM 938 CG ASP B 32 -11.784 -0.858 -15.473 1.00 72.13 C ATOM 939 OD1 ASP B 32 -10.590 -1.312 -15.291 1.00 41.30 O ATOM 940 OD2 ASP B 32 -12.227 -0.493 -16.572 1.00 65.45 O ATOM 0 H ASP B 32 -13.478 0.575 -11.912 1.00 74.42 H new ATOM 0 HA ASP B 32 -11.183 -1.126 -12.674 1.00 64.23 H new ATOM 0 HB2 ASP B 32 -13.092 -1.777 -14.045 1.00 42.13 H new ATOM 0 HB3 ASP B 32 -13.474 -0.103 -14.392 1.00 42.13 H new ATOM 945 N MET B 33 -9.967 1.052 -12.851 1.00 10.32 N ATOM 946 CA MET B 33 -9.197 2.268 -13.055 1.00 13.34 C ATOM 947 C MET B 33 -9.356 2.785 -14.485 1.00 51.01 C ATOM 948 O MET B 33 -9.734 2.033 -15.382 1.00 61.33 O ATOM 949 CB MET B 33 -7.719 1.991 -12.773 1.00 74.32 C ATOM 950 CG MET B 33 -7.119 3.073 -11.874 1.00 70.52 C ATOM 951 SD MET B 33 -5.376 2.771 -11.636 1.00 22.45 S ATOM 952 CE MET B 33 -5.447 1.212 -10.767 1.00 40.25 C ATOM 0 H MET B 33 -9.452 0.290 -12.410 1.00 10.32 H new ATOM 0 HA MET B 33 -9.570 3.030 -12.370 1.00 13.34 H new ATOM 0 HB2 MET B 33 -7.613 1.017 -12.296 1.00 74.32 H new ATOM 0 HB3 MET B 33 -7.168 1.947 -13.712 1.00 74.32 H new ATOM 0 HG2 MET B 33 -7.268 4.055 -12.323 1.00 70.52 H new ATOM 0 HG3 MET B 33 -7.630 3.082 -10.911 1.00 70.52 H new ATOM 0 HE1 MET B 33 -4.450 0.946 -10.415 1.00 40.25 H new ATOM 0 HE2 MET B 33 -6.121 1.301 -9.915 1.00 40.25 H new ATOM 0 HE3 MET B 33 -5.813 0.437 -11.440 1.00 40.25 H new ATOM 962 N VAL B 34 -9.061 4.065 -14.655 1.00 44.03 N ATOM 963 CA VAL B 34 -9.166 4.691 -15.962 1.00 41.13 C ATOM 964 C VAL B 34 -7.763 4.982 -16.498 1.00 24.31 C ATOM 965 O VAL B 34 -6.793 4.985 -15.740 1.00 55.04 O ATOM 966 CB VAL B 34 -10.044 5.941 -15.874 1.00 23.10 C ATOM 967 CG1 VAL B 34 -10.510 6.382 -17.263 1.00 65.34 C ATOM 968 CG2 VAL B 34 -11.236 5.710 -14.944 1.00 4.54 C ATOM 0 H VAL B 34 -8.749 4.686 -13.909 1.00 44.03 H new ATOM 0 HA VAL B 34 -9.651 4.019 -16.670 1.00 41.13 H new ATOM 0 HB VAL B 34 -9.441 6.745 -15.452 1.00 23.10 H new ATOM 0 HG11 VAL B 34 -11.132 7.272 -17.172 1.00 65.34 H new ATOM 0 HG12 VAL B 34 -9.642 6.607 -17.883 1.00 65.34 H new ATOM 0 HG13 VAL B 34 -11.088 5.581 -17.724 1.00 65.34 H new ATOM 0 HG21 VAL B 34 -11.843 6.614 -14.900 1.00 4.54 H new ATOM 0 HG22 VAL B 34 -11.839 4.886 -15.324 1.00 4.54 H new ATOM 0 HG23 VAL B 34 -10.876 5.465 -13.945 1.00 4.54 H new ATOM 978 N LYS B 35 -7.699 5.219 -17.800 1.00 3.21 N ATOM 979 CA LYS B 35 -6.430 5.510 -18.446 1.00 52.44 C ATOM 980 C LYS B 35 -6.394 6.986 -18.848 1.00 53.30 C ATOM 981 O LYS B 35 -7.402 7.537 -19.290 1.00 44.54 O ATOM 982 CB LYS B 35 -6.190 4.549 -19.613 1.00 4.42 C ATOM 983 CG LYS B 35 -6.721 5.134 -20.923 1.00 15.03 C ATOM 984 CD LYS B 35 -5.611 5.853 -21.692 1.00 62.33 C ATOM 985 CE LYS B 35 -4.683 4.849 -22.381 1.00 72.23 C ATOM 986 NZ LYS B 35 -3.731 5.551 -23.271 1.00 23.44 N ATOM 0 H LYS B 35 -8.505 5.215 -18.425 1.00 3.21 H new ATOM 0 HA LYS B 35 -5.604 5.347 -17.754 1.00 52.44 H new ATOM 0 HB2 LYS B 35 -5.123 4.345 -19.708 1.00 4.42 H new ATOM 0 HB3 LYS B 35 -6.680 3.596 -19.411 1.00 4.42 H new ATOM 0 HG2 LYS B 35 -7.138 4.337 -21.539 1.00 15.03 H new ATOM 0 HG3 LYS B 35 -7.532 5.831 -20.712 1.00 15.03 H new ATOM 0 HD2 LYS B 35 -6.050 6.517 -22.436 1.00 62.33 H new ATOM 0 HD3 LYS B 35 -5.035 6.477 -21.008 1.00 62.33 H new ATOM 0 HE2 LYS B 35 -4.136 4.277 -21.632 1.00 72.23 H new ATOM 0 HE3 LYS B 35 -5.272 4.137 -22.958 1.00 72.23 H new ATOM 0 HZ1 LYS B 35 -3.800 5.158 -24.232 1.00 23.44 H new ATOM 0 HZ2 LYS B 35 -3.961 6.565 -23.294 1.00 23.44 H new ATOM 0 HZ3 LYS B 35 -2.763 5.423 -22.913 1.00 23.44 H new ATOM 999 N GLN B 36 -5.225 7.585 -18.680 1.00 65.41 N ATOM 1000 CA GLN B 36 -5.045 8.986 -19.019 1.00 44.34 C ATOM 1001 C GLN B 36 -4.790 9.139 -20.520 1.00 42.41 C ATOM 1002 O GLN B 36 -4.136 10.089 -20.948 1.00 41.42 O ATOM 1003 CB GLN B 36 -3.908 9.606 -18.203 1.00 50.31 C ATOM 1004 CG GLN B 36 -3.950 9.125 -16.752 1.00 42.10 C ATOM 1005 CD GLN B 36 -5.049 9.844 -15.967 1.00 11.41 C ATOM 1006 OE1 GLN B 36 -4.896 10.971 -15.526 1.00 34.11 O ATOM 1007 NE2 GLN B 36 -6.162 9.131 -15.819 1.00 13.33 N ATOM 0 H GLN B 36 -4.392 7.125 -18.313 1.00 65.41 H new ATOM 0 HA GLN B 36 -5.961 9.522 -18.769 1.00 44.34 H new ATOM 0 HB2 GLN B 36 -2.949 9.343 -18.650 1.00 50.31 H new ATOM 0 HB3 GLN B 36 -3.985 10.693 -18.232 1.00 50.31 H new ATOM 0 HG2 GLN B 36 -4.125 8.049 -16.727 1.00 42.10 H new ATOM 0 HG3 GLN B 36 -2.984 9.302 -16.278 1.00 42.10 H new ATOM 0 HE21 GLN B 36 -6.223 8.193 -16.214 1.00 13.33 H new ATOM 0 HE22 GLN B 36 -6.955 9.523 -15.310 1.00 13.33 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.788 -9.952 -14.471 1.00 42.24 ZN HETATM 1018 ZN ZN B 37 -10.392 2.792 -7.915 1.00 74.13 ZN